Default is to use a total of 8 processors: 8 via shared-memory 1 via Linda Entering Link 1 = C:\G09W\l1.exe PID= 7220. 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 02-May-2019 ****************************************** %chk=\\icnas4.cc.ic.ac.uk\mt217\Documents\2ndInorganic\Lwes_acid_bases_miniproje ct\Isomer5.chk Default route: MaxDisk=10GB ------------------------------------------------------------ # opt freq b3lyp/6-31g(d,p) pop=(nbo,full) geom=connectivity ------------------------------------------------------------ 1/14=-1,18=20,19=15,26=3,38=1,57=2/1,3; 2/9=110,12=2,17=6,18=5,40=1/2; 3/5=1,6=6,7=101,11=2,16=1,25=1,30=1,71=1,74=-5/1,2,3; 4//1; 5/5=2,38=5/2; 6/7=3,28=1,40=1/1,7; 7//1,2,3,16; 1/14=-1,18=20,19=15,26=3/3(2); 2/9=110/2; 99//99; 2/9=110/2; 3/5=1,6=6,7=101,11=2,16=1,25=1,30=1,71=1,74=-5/1,2,3; 4/5=5,16=3,69=1/1; 5/5=2,38=5/2; 7//1,2,3,16; 1/14=-1,18=20,19=15,26=3/3(-5); 2/9=110/2; 6/7=3,19=2,28=1,40=1/1,7; 99/9=1/99; ------------------- Title Card Required ------------------- Symbolic Z-matrix: Charge = 0 Multiplicity = 1 Al -0.82344 0.34925 0.91051 Al 0.71975 1.89244 0.91051 Cl -0.82348 1.89243 0.91024 Cl 0.71981 0.34925 0.91051 Cl -1.73692 -0.56485 2.74014 Cl 1.63374 2.80608 -0.9191 Br -1.7988 -0.62637 -1.04115 Br 1.69456 2.86812 2.8624 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Initialization pass. ---------------------------- ! Initial Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,3) 1.5432 estimate D2E/DX2 ! ! R2 R(1,4) 1.5432 estimate D2E/DX2 ! ! R3 R(1,5) 2.24 estimate D2E/DX2 ! ! R4 R(1,7) 2.39 estimate D2E/DX2 ! ! R5 R(2,3) 1.5432 estimate D2E/DX2 ! ! R6 R(2,4) 1.5432 estimate D2E/DX2 ! ! R7 R(2,6) 2.24 estimate D2E/DX2 ! ! R8 R(2,8) 2.39 estimate D2E/DX2 ! ! A1 A(3,1,4) 90.0016 estimate D2E/DX2 ! ! A2 A(3,1,5) 114.0925 estimate D2E/DX2 ! ! A3 A(3,1,7) 114.0826 estimate D2E/DX2 ! ! A4 A(4,1,5) 114.0671 estimate D2E/DX2 ! ! A5 A(4,1,7) 114.0856 estimate D2E/DX2 ! ! A6 A(5,1,7) 109.5109 estimate D2E/DX2 ! ! A7 A(3,2,4) 90.0022 estimate D2E/DX2 ! ! A8 A(3,2,6) 114.0724 estimate D2E/DX2 ! ! A9 A(3,2,8) 114.0802 estimate D2E/DX2 ! ! A10 A(4,2,6) 114.0706 estimate D2E/DX2 ! ! A11 A(4,2,8) 114.093 estimate D2E/DX2 ! ! A12 A(6,2,8) 109.5196 estimate D2E/DX2 ! ! A13 A(1,3,2) 89.9985 estimate D2E/DX2 ! ! A14 A(1,4,2) 89.9977 estimate D2E/DX2 ! ! D1 D(4,1,3,2) -0.01 estimate D2E/DX2 ! ! D2 D(5,1,3,2) 116.5243 estimate D2E/DX2 ! ! D3 D(7,1,3,2) -116.5628 estimate D2E/DX2 ! ! D4 D(3,1,4,2) 0.01 estimate D2E/DX2 ! ! D5 D(5,1,4,2) -116.547 estimate D2E/DX2 ! ! D6 D(7,1,4,2) 116.5601 estimate D2E/DX2 ! ! D7 D(4,2,3,1) 0.01 estimate D2E/DX2 ! ! D8 D(6,2,3,1) 116.544 estimate D2E/DX2 ! ! D9 D(8,2,3,1) -116.5508 estimate D2E/DX2 ! ! D10 D(3,2,4,1) -0.01 estimate D2E/DX2 ! ! D11 D(6,2,4,1) -116.5456 estimate D2E/DX2 ! ! D12 D(8,2,4,1) 116.5393 estimate D2E/DX2 ! -------------------------------------------------------------------------------- Trust Radius=3.00D-01 FncErr=1.00D-07 GrdErr=1.00D-06 Number of steps in this run= 44 maximum allowed number of steps= 100. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 13 0 -0.823439 0.349247 0.910506 2 13 0 0.719747 1.892437 0.910506 3 17 0 -0.823482 1.892434 0.910236 4 17 0 0.719808 0.349247 0.910506 5 17 0 -1.736925 -0.564852 2.740142 6 17 0 1.633740 2.806083 -0.919103 7 35 0 -1.798800 -0.626370 -1.041146 8 35 0 1.694558 2.868120 2.862398 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 Al 0.000000 2 Al 2.182397 0.000000 3 Cl 1.543187 1.543229 0.000000 4 Cl 1.543247 1.543190 2.182469 0.000000 5 Cl 2.240000 3.926967 3.197059 3.196667 0.000000 6 Cl 3.926989 2.240000 3.196744 3.196683 6.009547 7 Br 2.390000 4.061577 3.332193 3.332290 3.782294 8 Br 4.061394 2.390000 3.332181 3.332379 4.855442 6 7 8 6 Cl 0.000000 7 Br 4.855817 0.000000 8 Br 3.782499 6.297037 0.000000 Stoichiometry Al2Br2Cl4 Framework group C1[X(Al2Br2Cl4)] Deg. of freedom 18 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 13 0 0.970438 -0.498815 -0.000088 2 13 0 -0.970534 0.498924 0.000130 3 17 0 -0.000032 0.000261 -1.091206 4 17 0 0.000049 0.000093 1.091263 5 17 0 1.283311 -2.716857 0.000346 6 17 0 -1.283455 2.716959 0.000375 7 35 0 3.089625 0.606241 -0.000188 8 35 0 -3.089528 -0.606502 -0.000205 --------------------------------------------------------------------- Rotational constants (GHZ): 0.7538602 0.2877137 0.2235834 Standard basis: 6-31G(d,p) (6D, 7F) There are 174 symmetry adapted cartesian basis functions of A symmetry. There are 174 symmetry adapted basis functions of A symmetry. 174 basis functions, 478 primitive gaussians, 174 cartesian basis functions 82 alpha electrons 82 beta electrons nuclear repulsion energy 1892.0907137922 Hartrees. NAtoms= 8 NActive= 8 NUniq= 8 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= 174 RedAO= T EigKep= 6.78D-04 NBF= 174 NBsUse= 174 1.00D-06 EigRej= -1.00D+00 NBFU= 174 ExpMin= 5.57D-02 ExpMax= 5.74D+05 ExpMxC= 5.74D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 402 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 402 AccDes= 0.00D+00 IRadAn= 4 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=118699583. 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) = -7468.29345000 A.U. after 14 cycles NFock= 14 Conv=0.48D-08 -V/T= 2.0041 ********************************************************************** 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) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (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) The electronic state is 1-A. Alpha occ. eigenvalues -- -482.91331-482.91319-101.63889-101.63888-101.53836 Alpha occ. eigenvalues -- -101.53836 -61.87581 -61.87467 -56.39226 -56.39217 Alpha occ. eigenvalues -- -56.39050 -56.39044 -56.39037 -56.39035 -56.14755 Alpha occ. eigenvalues -- -56.14755 -9.61190 -9.61189 -9.45536 -9.45535 Alpha occ. eigenvalues -- -8.58399 -8.58364 -7.36634 -7.36633 -7.36593 Alpha occ. eigenvalues -- -7.36581 -7.35996 -7.35991 -7.21576 -7.21575 Alpha occ. eigenvalues -- -7.21129 -7.21128 -7.21116 -7.21115 -6.53252 Alpha occ. eigenvalues -- -6.53251 -6.52632 -6.52631 -6.52619 -6.52618 Alpha occ. eigenvalues -- -4.29830 -4.29713 -2.85903 -2.85541 -2.85447 Alpha occ. eigenvalues -- -2.85116 -2.83439 -2.83370 -2.64890 -2.64889 Alpha occ. eigenvalues -- -2.64717 -2.64717 -2.64706 -2.64705 -2.64209 Alpha occ. eigenvalues -- -2.64209 -2.64208 -2.64208 -1.18461 -1.02854 Alpha occ. eigenvalues -- -0.81476 -0.80963 -0.76614 -0.76019 -0.67541 Alpha occ. eigenvalues -- -0.66661 -0.64139 -0.61321 -0.52491 -0.46764 Alpha occ. eigenvalues -- -0.41513 -0.38817 -0.37321 -0.35058 -0.33733 Alpha occ. eigenvalues -- -0.33668 -0.32941 -0.32844 -0.31026 -0.30434 Alpha occ. eigenvalues -- -0.30137 -0.30132 Alpha virt. eigenvalues -- -0.05755 -0.00324 -0.00103 -0.00055 0.01996 Alpha virt. eigenvalues -- 0.03039 0.04338 0.04825 0.06619 0.07131 Alpha virt. eigenvalues -- 0.10395 0.13735 0.14493 0.15669 0.16735 Alpha virt. eigenvalues -- 0.19973 0.22725 0.23757 0.23949 0.25605 Alpha virt. eigenvalues -- 0.26400 0.27612 0.33331 0.34134 0.35112 Alpha virt. eigenvalues -- 0.36941 0.37801 0.40055 0.41675 0.44257 Alpha virt. eigenvalues -- 0.44901 0.46036 0.46239 0.46662 0.47506 Alpha virt. eigenvalues -- 0.48638 0.49320 0.49779 0.51250 0.52471 Alpha virt. eigenvalues -- 0.53584 0.55214 0.55749 0.56384 0.57586 Alpha virt. eigenvalues -- 0.60813 0.61307 0.61921 0.66092 0.66409 Alpha virt. eigenvalues -- 0.66987 0.69897 0.70343 0.71659 0.72924 Alpha virt. eigenvalues -- 0.78786 0.82223 0.84845 0.86054 0.86863 Alpha virt. eigenvalues -- 0.87671 0.88517 0.89630 0.90572 0.90881 Alpha virt. eigenvalues -- 0.95624 0.97061 0.97475 1.00137 1.04460 Alpha virt. eigenvalues -- 1.08544 1.12933 1.13056 1.18492 1.24405 Alpha virt. eigenvalues -- 1.31583 1.46385 1.57334 1.62995 1.68848 Alpha virt. eigenvalues -- 1.76923 1.78097 1.94446 1.98429 4.14305 Alpha virt. eigenvalues -- 4.27360 4.27368 4.31971 8.74358 8.80991 Alpha virt. eigenvalues -- 75.58666 76.82910 Molecular Orbital Coefficients: 1 2 3 4 5 O O O O O Eigenvalues -- -482.91331-482.91319-101.63889-101.63888-101.53836 1 1 Al 1S -0.00001 0.00000 0.00000 0.00000 0.00000 2 2S -0.00016 0.00009 0.00005 0.00003 0.00002 3 2PX 0.00001 0.00005 -0.00003 -0.00002 0.00000 4 2PY 0.00001 -0.00001 0.00001 0.00001 0.00000 5 2PZ 0.00000 0.00000 -0.00002 0.00003 0.00000 6 3S -0.00103 0.00038 -0.00041 -0.00022 0.00009 7 3PX 0.00045 -0.00032 0.00025 0.00014 -0.00005 8 3PY -0.00016 0.00035 -0.00011 -0.00006 0.00003 9 3PZ 0.00000 0.00000 0.00014 -0.00025 0.00000 10 4S 0.00226 0.00117 -0.00008 -0.00004 -0.00029 11 4PX 0.00218 0.00168 0.00002 0.00001 0.00017 12 4PY 0.00262 0.00055 -0.00004 -0.00002 0.00004 13 4PZ 0.00000 0.00000 0.00005 -0.00010 0.00000 14 5XX -0.00011 0.00007 0.00001 0.00001 0.00001 15 5YY -0.00002 0.00002 0.00015 0.00008 0.00001 16 5ZZ 0.00003 0.00014 0.00001 0.00001 0.00000 17 5XY -0.00008 -0.00016 0.00013 0.00007 -0.00001 18 5XZ 0.00000 0.00000 -0.00011 0.00021 0.00000 19 5YZ 0.00000 0.00000 0.00006 -0.00010 0.00000 20 2 Al 1S -0.00001 0.00000 0.00000 0.00000 0.00000 21 2S -0.00015 -0.00010 0.00005 0.00003 -0.00001 22 2PX -0.00001 0.00005 0.00003 0.00002 0.00000 23 2PY -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 24 2PZ 0.00000 0.00000 -0.00002 0.00003 0.00000 25 3S -0.00100 -0.00045 -0.00041 -0.00022 0.00011 26 3PX -0.00043 -0.00035 -0.00025 -0.00014 -0.00002 27 3PY 0.00014 0.00036 0.00011 0.00006 0.00007 28 3PZ 0.00000 0.00000 0.00014 -0.00025 0.00000 29 4S 0.00234 -0.00101 -0.00008 -0.00004 0.00006 30 4PX -0.00229 0.00153 -0.00002 -0.00001 0.00008 31 4PY -0.00265 0.00037 0.00004 0.00002 -0.00032 32 4PZ 0.00000 0.00000 0.00005 -0.00010 0.00000 33 5XX -0.00010 -0.00007 0.00001 0.00001 -0.00005 34 5YY -0.00002 -0.00002 0.00015 0.00008 0.00006 35 5ZZ 0.00004 -0.00014 0.00001 0.00001 -0.00004 36 5XY -0.00009 0.00015 0.00013 0.00007 0.00001 37 5XZ 0.00000 0.00000 0.00011 -0.00021 0.00000 38 5YZ 0.00000 0.00000 -0.00006 0.00010 0.00000 39 3 Cl 1S 0.00000 0.00000 0.95524 -0.28192 0.00000 40 2S -0.00002 0.00000 0.01466 -0.00432 0.00001 41 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 42 2PY 0.00000 -0.00001 0.00000 0.00000 0.00000 43 2PZ 0.00001 0.00000 -0.00002 -0.00001 0.00000 44 3S -0.00005 0.00000 -0.02045 0.00589 0.00002 45 3PX 0.00000 -0.00006 0.00000 0.00000 -0.00001 46 3PY 0.00000 0.00009 0.00000 0.00000 0.00000 47 3PZ -0.00009 0.00000 0.00020 -0.00001 0.00001 48 4S 0.00013 0.00000 0.00227 -0.00080 -0.00006 49 4PX 0.00002 -0.00065 0.00000 0.00000 0.00002 50 4PY 0.00001 -0.00017 0.00000 0.00000 0.00000 51 4PZ 0.00075 0.00003 0.00019 -0.00006 -0.00005 52 5XX -0.00002 0.00000 0.00739 -0.00218 0.00001 53 5YY -0.00002 0.00000 0.00736 -0.00216 0.00000 54 5ZZ 0.00003 0.00000 0.00748 -0.00203 0.00001 55 5XY -0.00003 0.00000 -0.00003 0.00002 0.00000 56 5XZ 0.00000 -0.00008 0.00000 0.00000 0.00000 57 5YZ 0.00000 0.00001 0.00000 0.00000 0.00000 58 4 Cl 1S 0.00000 0.00000 0.28191 0.95524 0.00000 59 2S -0.00002 0.00000 0.00433 0.01466 0.00001 60 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 61 2PY 0.00000 -0.00001 0.00000 0.00000 0.00000 62 2PZ -0.00001 0.00000 0.00002 0.00001 0.00000 63 3S -0.00005 0.00000 -0.00616 -0.02037 0.00002 64 3PX 0.00000 -0.00006 0.00000 0.00000 -0.00001 65 3PY 0.00000 0.00009 0.00000 0.00000 0.00000 66 3PZ 0.00009 0.00000 -0.00010 -0.00018 -0.00001 67 4S 0.00013 0.00000 0.00056 0.00234 -0.00006 68 4PX 0.00002 -0.00065 0.00000 0.00000 0.00002 69 4PY 0.00001 -0.00017 0.00000 0.00000 0.00000 70 4PZ -0.00075 -0.00003 -0.00005 -0.00019 0.00005 71 5XX -0.00002 0.00000 0.00218 0.00739 0.00001 72 5YY -0.00002 0.00000 0.00219 0.00735 0.00000 73 5ZZ 0.00003 0.00000 0.00236 0.00738 0.00001 74 5XY -0.00003 0.00000 0.00000 -0.00004 0.00000 75 5XZ 0.00000 0.00008 0.00000 0.00000 0.00000 76 5YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 77 5 Cl 1S 0.00000 0.00000 0.00001 0.00000 0.00756 78 2S -0.00002 0.00000 0.00001 0.00000 0.00011 79 2PX -0.00001 -0.00002 0.00000 0.00000 0.00000 80 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 81 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 3S -0.00004 0.00002 0.00003 0.00002 -0.00016 83 3PX 0.00003 0.00012 0.00000 0.00000 0.00000 84 3PY 0.00002 -0.00001 -0.00001 -0.00001 0.00000 85 3PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 86 4S 0.00059 -0.00006 -0.00009 -0.00005 0.00007 87 4PX -0.00027 -0.00042 0.00002 0.00001 -0.00001 88 4PY -0.00009 -0.00006 -0.00005 -0.00003 0.00001 89 4PZ 0.00000 0.00000 0.00000 0.00001 0.00000 90 5XX -0.00005 0.00000 0.00001 0.00001 0.00005 91 5YY -0.00007 -0.00002 -0.00002 -0.00001 0.00005 92 5ZZ -0.00005 -0.00003 0.00001 0.00001 0.00005 93 5XY -0.00002 -0.00003 0.00002 0.00001 0.00000 94 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 5YZ 0.00000 0.00000 0.00001 -0.00001 0.00000 96 6 Cl 1S 0.00000 0.00000 0.00001 0.00000 0.99597 97 2S -0.00003 0.00000 0.00001 0.00000 0.01515 98 2PX 0.00001 -0.00002 0.00000 0.00000 0.00001 99 2PY 0.00000 0.00000 0.00000 0.00000 -0.00004 100 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 3S -0.00004 -0.00003 0.00003 0.00002 -0.02105 102 3PX -0.00004 0.00011 0.00000 0.00000 -0.00001 103 3PY -0.00002 -0.00001 0.00001 0.00001 0.00006 104 3PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 105 4S 0.00058 0.00010 -0.00009 -0.00005 0.00184 106 4PX 0.00030 -0.00040 -0.00002 -0.00001 0.00001 107 4PY 0.00009 -0.00006 0.00005 0.00003 -0.00007 108 4PZ 0.00000 0.00000 0.00000 0.00001 0.00000 109 5XX -0.00005 0.00000 0.00001 0.00001 0.00753 110 5YY -0.00008 0.00002 -0.00002 -0.00001 0.00751 111 5ZZ -0.00005 0.00003 0.00001 0.00001 0.00753 112 5XY -0.00003 0.00003 0.00002 0.00001 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00000 -0.00001 0.00001 0.00000 115 7 Br 1S 0.67947 0.72673 0.00000 0.00000 0.00000 116 2S 0.02234 0.02370 -0.00002 -0.00001 0.00001 117 3S -0.03051 -0.03200 0.00007 0.00004 -0.00002 118 4S -0.03076 -0.03225 0.00005 0.00003 -0.00002 119 5S -0.01520 -0.01682 0.00010 0.00006 0.00001 120 6S -0.02089 -0.01904 -0.00004 -0.00002 -0.00007 121 7PX -0.00002 -0.00002 0.00000 0.00000 0.00000 122 7PY -0.00001 -0.00001 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00008 0.00006 0.00000 0.00000 0.00000 125 8PY 0.00004 0.00003 0.00000 0.00000 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX -0.00040 -0.00033 0.00000 0.00000 0.00000 128 9PY -0.00018 -0.00015 0.00000 0.00000 0.00000 129 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 10PX 0.00124 0.00093 0.00008 0.00004 -0.00001 131 10PY 0.00052 0.00044 0.00002 0.00001 0.00001 132 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 11XX 0.02946 0.03081 -0.00006 -0.00003 0.00002 134 11YY 0.02945 0.03080 -0.00007 -0.00004 0.00002 135 11ZZ 0.02946 0.03080 -0.00007 -0.00004 0.00002 136 11XY 0.00001 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00898 0.00885 -0.00008 -0.00004 0.00002 140 12YY 0.00909 0.00890 -0.00001 0.00000 0.00002 141 12ZZ 0.00904 0.00894 -0.00001 0.00000 0.00001 142 12XY -0.00004 -0.00002 -0.00003 -0.00001 0.00000 143 12XZ 0.00000 0.00000 -0.00001 0.00002 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.72676 -0.67943 0.00000 0.00000 0.00000 146 2S 0.02388 -0.02214 -0.00002 -0.00001 0.00000 147 3S -0.03259 0.02988 0.00007 0.00004 -0.00001 148 4S -0.03286 0.03011 0.00005 0.00003 0.00000 149 5S -0.01630 0.01576 0.00010 0.00006 0.00005 150 6S -0.02212 0.01759 -0.00004 -0.00002 -0.00016 151 7PX 0.00002 -0.00002 0.00000 0.00000 0.00000 152 7PY 0.00001 -0.00001 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX -0.00008 0.00006 0.00000 0.00000 0.00000 155 8PY -0.00004 0.00003 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00043 -0.00030 0.00000 0.00000 0.00001 158 9PY 0.00019 -0.00014 0.00000 0.00000 0.00000 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX -0.00130 0.00084 -0.00008 -0.00004 -0.00004 161 10PY -0.00055 0.00040 -0.00002 -0.00001 0.00002 162 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 11XX 0.03147 -0.02876 -0.00006 -0.00003 0.00001 164 11YY 0.03145 -0.02876 -0.00007 -0.00004 0.00001 165 11ZZ 0.03146 -0.02875 -0.00007 -0.00004 0.00001 166 11XY 0.00001 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00956 -0.00823 -0.00008 -0.00004 0.00003 170 12YY 0.00967 -0.00827 -0.00001 0.00000 0.00003 171 12ZZ 0.00962 -0.00831 -0.00001 0.00000 0.00004 172 12XY -0.00005 0.00002 -0.00003 -0.00001 0.00000 173 12XZ 0.00000 0.00000 0.00001 -0.00002 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 7 8 9 10 O O O O O Eigenvalues -- -101.53836 -61.87581 -61.87467 -56.39226 -56.39217 1 1 Al 1S 0.00000 -0.00008 0.00002 0.00018 -0.00007 2 2S -0.00001 -0.00135 0.00081 0.00070 0.00020 3 2PX 0.00000 0.00009 0.00039 0.00000 0.00021 4 2PY 0.00001 0.00012 -0.00009 -0.00002 -0.00001 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 3S 0.00011 -0.00860 0.00362 0.00126 0.00339 7 3PX 0.00002 0.00375 -0.00288 -0.00276 -0.00089 8 3PY -0.00007 -0.00129 0.00305 -0.00010 0.00150 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 4S 0.00006 0.01961 0.00966 -0.00467 0.00990 11 4PX -0.00009 0.01908 0.01381 -0.00328 -0.00010 12 4PY 0.00032 0.02255 0.00405 -0.00427 0.00209 13 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 14 5XX -0.00005 -0.00090 0.00056 0.00112 0.00008 15 5YY 0.00006 -0.00021 0.00013 0.00054 -0.00049 16 5ZZ -0.00004 0.00025 0.00118 0.00028 0.00018 17 5XY 0.00001 -0.00072 -0.00134 0.00050 -0.00072 18 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 19 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 20 2 Al 1S 0.00000 -0.00008 -0.00002 0.00019 0.00005 21 2S 0.00002 -0.00134 -0.00082 0.00067 -0.00026 22 2PX 0.00000 -0.00009 0.00039 0.00002 0.00021 23 2PY 0.00000 -0.00012 -0.00009 0.00002 -0.00001 24 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 25 3S 0.00008 -0.00858 -0.00368 0.00092 -0.00350 26 3PX 0.00005 -0.00373 -0.00290 0.00266 -0.00116 27 3PY -0.00003 0.00127 0.00306 0.00024 0.00148 28 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 29 4S -0.00029 0.01969 -0.00952 -0.00563 -0.00939 30 4PX -0.00017 -0.01917 0.01367 0.00326 -0.00042 31 4PY -0.00003 -0.02258 0.00389 0.00445 0.00166 32 4PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 33 5XX 0.00001 -0.00089 -0.00057 0.00111 -0.00019 34 5YY 0.00001 -0.00021 -0.00013 0.00059 0.00044 35 5ZZ 0.00001 0.00025 -0.00118 0.00026 -0.00021 36 5XY -0.00001 -0.00073 0.00133 0.00057 0.00066 37 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 38 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 39 3 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 40 2S 0.00001 -0.00016 0.00000 0.00016 -0.00001 41 2PX 0.00000 0.00000 0.00001 0.00001 0.00014 42 2PY 0.00000 0.00000 -0.00012 0.00000 0.00001 43 2PZ 0.00000 0.00012 0.00000 -0.00006 0.00000 44 3S 0.00002 -0.00042 0.00000 -0.00002 0.00000 45 3PX 0.00001 0.00000 -0.00048 -0.00004 -0.00090 46 3PY 0.00000 0.00000 0.00073 0.00000 -0.00003 47 3PZ 0.00001 -0.00078 0.00000 0.00034 -0.00002 48 4S -0.00006 0.00096 0.00001 -0.00152 0.00007 49 4PX -0.00002 0.00002 -0.00565 -0.00007 -0.00141 50 4PY 0.00000 0.00000 -0.00144 0.00005 0.00091 51 4PZ -0.00005 0.00636 0.00002 -0.00267 0.00013 52 5XX 0.00001 -0.00020 0.00000 0.00063 -0.00003 53 5YY 0.00000 -0.00019 0.00000 0.00035 -0.00002 54 5ZZ 0.00001 0.00024 0.00000 0.00020 -0.00001 55 5XY 0.00000 -0.00023 0.00000 0.00009 0.00000 56 5XZ 0.00000 0.00000 -0.00064 -0.00002 -0.00042 57 5YZ 0.00000 0.00000 0.00009 0.00000 0.00009 58 4 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 59 2S 0.00001 -0.00016 0.00000 0.00016 -0.00001 60 2PX 0.00000 0.00000 0.00001 0.00001 0.00014 61 2PY 0.00000 0.00000 -0.00012 0.00000 0.00001 62 2PZ 0.00000 -0.00012 0.00000 0.00006 0.00000 63 3S 0.00002 -0.00042 0.00000 -0.00002 0.00000 64 3PX 0.00001 0.00000 -0.00048 -0.00004 -0.00090 65 3PY 0.00000 0.00000 0.00073 0.00000 -0.00003 66 3PZ -0.00001 0.00078 0.00000 -0.00034 0.00002 67 4S -0.00006 0.00096 0.00000 -0.00152 0.00007 68 4PX -0.00002 0.00002 -0.00566 -0.00007 -0.00142 69 4PY 0.00000 0.00001 -0.00144 0.00004 0.00091 70 4PZ 0.00005 -0.00636 -0.00002 0.00267 -0.00013 71 5XX 0.00001 -0.00020 0.00000 0.00063 -0.00003 72 5YY 0.00000 -0.00019 0.00000 0.00035 -0.00002 73 5ZZ 0.00001 0.00024 0.00000 0.00020 -0.00001 74 5XY 0.00000 -0.00023 0.00000 0.00009 0.00000 75 5XZ 0.00000 0.00000 0.00064 0.00002 0.00042 76 5YZ 0.00000 0.00000 -0.00009 0.00000 -0.00009 77 5 Cl 1S 0.99597 -0.00001 0.00000 0.00000 0.00000 78 2S 0.01515 -0.00021 -0.00001 0.00000 0.00002 79 2PX -0.00001 -0.00005 -0.00018 -0.00003 0.00000 80 2PY 0.00004 -0.00003 0.00001 0.00000 0.00003 81 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 3S -0.02105 -0.00035 0.00019 0.00001 0.00006 83 3PX 0.00001 0.00033 0.00099 0.00013 0.00003 84 3PY -0.00006 0.00015 -0.00006 -0.00001 -0.00012 85 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 86 4S 0.00184 0.00500 -0.00073 -0.00032 -0.00072 87 4PX -0.00001 -0.00245 -0.00352 0.00015 -0.00025 88 4PY 0.00007 -0.00076 -0.00054 0.00033 -0.00017 89 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 5XX 0.00753 -0.00045 0.00003 -0.00002 0.00006 91 5YY 0.00751 -0.00062 -0.00019 0.00005 -0.00001 92 5ZZ 0.00753 -0.00040 -0.00024 0.00000 -0.00004 93 5XY 0.00000 -0.00022 -0.00023 0.00008 -0.00006 94 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 6 Cl 1S -0.00756 -0.00001 0.00000 0.00000 0.00000 97 2S -0.00012 -0.00021 0.00001 0.00000 -0.00002 98 2PX 0.00000 0.00005 -0.00018 0.00003 0.00000 99 2PY 0.00000 0.00003 0.00001 0.00000 0.00003 100 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 3S 0.00016 -0.00035 -0.00020 0.00001 -0.00006 102 3PX 0.00000 -0.00033 0.00098 -0.00012 0.00004 103 3PY 0.00000 -0.00015 -0.00006 0.00000 -0.00012 104 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4S 0.00004 0.00500 0.00077 -0.00024 0.00075 106 4PX 0.00001 0.00248 -0.00351 -0.00017 -0.00024 107 4PY -0.00001 0.00076 -0.00054 -0.00035 -0.00013 108 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 109 5XX -0.00006 -0.00045 -0.00003 -0.00002 -0.00005 110 5YY -0.00006 -0.00063 0.00018 0.00006 0.00001 111 5ZZ -0.00006 -0.00040 0.00024 0.00000 0.00004 112 5XY 0.00000 -0.00022 0.00022 0.00008 0.00005 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 7 Br 1S 0.00000 -0.29662 -0.29885 -0.00010 0.00005 116 2S 0.00000 0.82446 0.82922 -0.00144 0.00136 117 3S -0.00001 -0.20374 -0.20174 0.00408 -0.00358 118 4S 0.00000 -0.28682 -0.28653 0.00279 -0.00250 119 5S 0.00005 -0.13268 -0.13956 -0.00464 0.00370 120 6S -0.00016 -0.18249 -0.15779 0.02308 -0.01903 121 7PX 0.00000 -0.00037 -0.00037 -0.59080 0.65163 122 7PY 0.00000 -0.00017 -0.00017 -0.28491 0.31581 123 7PZ 0.00000 0.00000 0.00000 0.00003 -0.00003 124 8PX 0.00000 0.00064 0.00050 -0.03723 0.04101 125 8PY 0.00000 0.00029 0.00023 -0.01793 0.01985 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX -0.00001 -0.00351 -0.00272 0.01210 -0.01313 128 9PY 0.00000 -0.00156 -0.00126 0.00571 -0.00625 129 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 10PX 0.00004 0.01081 0.00766 -0.00815 0.00828 131 10PY -0.00002 0.00456 0.00363 -0.00362 0.00368 132 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 11XX 0.00001 0.26080 0.25930 -0.00401 0.00355 134 11YY 0.00001 0.26066 0.25924 -0.00393 0.00347 135 11ZZ 0.00001 0.26073 0.25919 -0.00393 0.00346 136 11XY 0.00000 0.00006 0.00004 -0.00004 0.00004 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00003 0.07841 0.07337 -0.00548 0.00457 140 12YY 0.00003 0.07934 0.07373 -0.00610 0.00519 141 12ZZ 0.00004 0.07891 0.07405 -0.00615 0.00530 142 12XY 0.00000 -0.00039 -0.00019 0.00033 -0.00037 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00000 -0.29870 0.29678 -0.00010 -0.00004 146 2S 0.00001 0.83023 -0.82345 -0.00157 -0.00121 147 3S -0.00002 -0.20514 0.20031 0.00441 0.00316 148 4S -0.00002 -0.28881 0.28452 0.00302 0.00222 149 5S 0.00001 -0.13365 0.13863 -0.00498 -0.00323 150 6S -0.00007 -0.18359 0.15651 0.02485 0.01666 151 7PX 0.00000 0.00038 -0.00037 0.65210 0.59014 152 7PY 0.00000 0.00018 -0.00017 0.31481 0.28631 153 7PZ 0.00000 0.00000 0.00000 0.00014 0.00012 154 8PX 0.00000 -0.00065 0.00050 0.04108 0.03714 155 8PY 0.00000 -0.00029 0.00023 0.01981 0.01800 156 8PZ 0.00000 0.00000 0.00000 0.00001 0.00001 157 9PX 0.00000 0.00353 -0.00269 -0.01334 -0.01188 158 9PY 0.00000 0.00157 -0.00125 -0.00630 -0.00566 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX 0.00001 -0.01087 0.00759 0.00892 0.00743 161 10PY -0.00001 -0.00459 0.00360 0.00396 0.00331 162 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 11XX 0.00002 0.26261 -0.25747 -0.00434 -0.00313 164 11YY 0.00002 0.26247 -0.25741 -0.00426 -0.00307 165 11ZZ 0.00002 0.26253 -0.25736 -0.00426 -0.00306 166 11XY 0.00000 0.00006 -0.00003 -0.00004 -0.00004 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00002 0.07892 -0.07282 -0.00590 -0.00400 170 12YY 0.00002 0.07985 -0.07318 -0.00659 -0.00456 171 12ZZ 0.00001 0.07942 -0.07350 -0.00664 -0.00467 172 12XY 0.00000 -0.00039 0.00019 0.00036 0.00033 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 11 12 13 14 15 O O O O O Eigenvalues -- -56.39050 -56.39044 -56.39037 -56.39035 -56.14755 1 1 Al 1S -0.00003 -0.00003 0.00000 0.00000 -0.42841 2 2S -0.00004 -0.00009 0.00000 0.00000 -0.00533 3 2PX -0.00007 0.00003 0.00000 0.00000 0.00000 4 2PY 0.00008 0.00002 0.00000 0.00000 -0.00001 5 2PZ 0.00000 0.00000 -0.00006 0.00001 0.00000 6 3S 0.00033 -0.00017 0.00000 0.00000 0.01313 7 3PX 0.00111 0.00022 0.00000 0.00000 -0.00013 8 3PY -0.00104 -0.00034 0.00000 0.00000 0.00008 9 3PZ 0.00000 0.00000 0.00113 0.00029 0.00000 10 4S -0.02959 -0.00317 -0.00001 0.00000 -0.00285 11 4PX 0.01278 0.00410 0.00000 0.00000 0.00065 12 4PY -0.00899 -0.00446 0.00000 0.00000 -0.00034 13 4PZ 0.00000 0.00000 0.00311 -0.00286 0.00000 14 5XX -0.00019 0.00013 0.00000 0.00000 -0.00439 15 5YY -0.00013 -0.00003 0.00000 0.00000 -0.00412 16 5ZZ -0.00039 -0.00041 0.00000 0.00000 -0.00423 17 5XY -0.00004 0.00003 0.00000 0.00000 0.00023 18 5XZ 0.00000 0.00000 -0.00027 -0.00028 0.00000 19 5YZ 0.00000 0.00000 0.00013 -0.00016 0.00000 20 2 Al 1S 0.00003 -0.00003 0.00000 0.00000 0.89999 21 2S 0.00005 -0.00009 0.00000 0.00000 0.01141 22 2PX -0.00006 -0.00003 0.00000 0.00000 0.00003 23 2PY 0.00008 -0.00001 0.00000 0.00000 -0.00002 24 2PZ 0.00000 0.00000 0.00006 -0.00001 0.00000 25 3S -0.00031 -0.00021 0.00000 0.00000 -0.02607 26 3PX 0.00113 -0.00008 0.00000 0.00000 -0.00009 27 3PY -0.00108 0.00021 0.00000 0.00000 0.00004 28 3PZ 0.00000 0.00000 -0.00099 0.00062 0.00000 29 4S 0.02975 0.00034 0.00001 0.00000 0.00393 30 4PX 0.01318 -0.00256 0.00000 0.00000 0.00083 31 4PY -0.00945 0.00337 0.00000 0.00000 -0.00037 32 4PZ 0.00000 0.00000 -0.00383 -0.00178 0.00000 33 5XX 0.00017 0.00016 0.00000 0.00000 0.00882 34 5YY 0.00014 -0.00002 0.00000 0.00000 0.00862 35 5ZZ 0.00043 -0.00037 0.00000 0.00000 0.00879 36 5XY 0.00003 0.00003 0.00000 0.00000 -0.00019 37 5XZ 0.00000 0.00000 -0.00017 0.00035 0.00000 38 5YZ 0.00000 0.00000 0.00018 0.00011 0.00000 39 3 Cl 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 40 2S 0.00001 -0.00013 0.00000 0.00000 -0.00002 41 2PX 0.00002 0.00000 -0.00004 0.00001 0.00001 42 2PY 0.00000 0.00000 -0.00005 0.00001 -0.00001 43 2PZ 0.00000 -0.00002 0.00001 0.00005 0.00000 44 3S 0.00002 -0.00038 0.00000 0.00003 -0.00023 45 3PX -0.00009 -0.00001 0.00026 -0.00004 0.00024 46 3PY -0.00004 0.00000 0.00024 -0.00004 -0.00011 47 3PZ -0.00001 0.00014 -0.00004 -0.00025 -0.00008 48 4S -0.00030 0.00508 -0.00002 -0.00015 0.00041 49 4PX 0.00310 0.00018 0.00101 -0.00016 -0.00072 50 4PY -0.00043 -0.00003 -0.00143 0.00022 0.00035 51 4PZ -0.00002 0.00027 0.00034 0.00216 0.00007 52 5XX 0.00000 -0.00007 0.00000 -0.00001 0.00007 53 5YY 0.00001 -0.00015 -0.00001 -0.00005 0.00008 54 5ZZ 0.00002 -0.00030 0.00002 0.00015 0.00009 55 5XY 0.00000 0.00002 -0.00001 -0.00007 0.00000 56 5XZ 0.00020 0.00001 0.00010 -0.00002 -0.00014 57 5YZ -0.00006 0.00000 -0.00010 0.00002 0.00007 58 4 Cl 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 59 2S 0.00001 -0.00013 0.00000 0.00000 -0.00002 60 2PX 0.00002 0.00000 0.00004 -0.00001 0.00001 61 2PY 0.00000 0.00000 0.00005 -0.00001 -0.00001 62 2PZ 0.00000 0.00002 0.00001 0.00005 0.00000 63 3S 0.00002 -0.00038 0.00000 -0.00003 -0.00023 64 3PX -0.00009 -0.00001 -0.00026 0.00004 0.00024 65 3PY -0.00004 0.00000 -0.00024 0.00004 -0.00011 66 3PZ 0.00001 -0.00014 -0.00004 -0.00025 0.00008 67 4S -0.00030 0.00508 0.00002 0.00015 0.00041 68 4PX 0.00310 0.00018 -0.00101 0.00016 -0.00072 69 4PY -0.00043 -0.00003 0.00143 -0.00022 0.00035 70 4PZ 0.00002 -0.00027 0.00034 0.00216 -0.00007 71 5XX 0.00000 -0.00007 0.00000 0.00001 0.00007 72 5YY 0.00001 -0.00015 0.00001 0.00005 0.00008 73 5ZZ 0.00002 -0.00030 -0.00002 -0.00015 0.00009 74 5XY 0.00000 0.00002 0.00001 0.00007 0.00000 75 5XZ -0.00020 -0.00001 0.00010 -0.00002 0.00014 76 5YZ 0.00006 0.00000 -0.00010 0.00002 -0.00007 77 5 Cl 1S 0.00001 0.00000 0.00000 0.00000 0.00000 78 2S 0.00011 0.00006 0.00000 0.00000 0.00001 79 2PX -0.00003 -0.00005 0.00000 0.00000 -0.00001 80 2PY 0.00002 0.00003 0.00000 0.00000 0.00000 81 2PZ 0.00000 0.00000 -0.00003 0.00006 0.00000 82 3S 0.00024 0.00016 0.00000 0.00000 -0.00006 83 3PX 0.00017 0.00026 0.00000 0.00000 0.00002 84 3PY -0.00009 -0.00014 0.00000 0.00000 -0.00001 85 3PZ 0.00000 0.00000 0.00018 -0.00030 0.00000 86 4S -0.00188 -0.00165 0.00000 0.00000 -0.00037 87 4PX -0.00091 -0.00103 0.00000 0.00000 0.00002 88 4PY 0.00001 0.00007 0.00000 0.00000 -0.00031 89 4PZ 0.00000 0.00000 -0.00066 0.00092 0.00000 90 5XX 0.00020 0.00013 0.00000 0.00000 0.00002 91 5YY 0.00022 0.00011 0.00000 0.00000 0.00008 92 5ZZ 0.00026 0.00006 0.00000 0.00000 0.00004 93 5XY -0.00005 -0.00009 0.00000 0.00000 0.00001 94 5XZ 0.00000 0.00000 -0.00002 -0.00002 0.00000 95 5YZ 0.00000 0.00000 -0.00005 0.00006 0.00000 96 6 Cl 1S -0.00001 0.00000 0.00000 0.00000 0.00000 97 2S -0.00011 0.00005 0.00000 0.00000 -0.00002 98 2PX -0.00003 0.00004 0.00000 0.00000 0.00000 99 2PY 0.00003 -0.00003 0.00000 0.00000 -0.00002 100 2PZ 0.00000 0.00000 0.00005 0.00004 0.00000 101 3S -0.00026 0.00013 0.00000 0.00000 0.00014 102 3PX 0.00020 -0.00024 0.00000 0.00000 0.00003 103 3PY -0.00010 0.00013 0.00000 0.00000 0.00006 104 3PZ 0.00000 0.00000 -0.00027 -0.00023 0.00000 105 4S 0.00206 -0.00142 0.00000 0.00000 0.00075 106 4PX -0.00102 0.00092 0.00000 0.00000 -0.00001 107 4PY 0.00001 -0.00007 0.00000 0.00000 -0.00068 108 4PZ 0.00000 0.00000 0.00091 0.00068 0.00000 109 5XX -0.00021 0.00011 0.00000 0.00000 -0.00007 110 5YY -0.00023 0.00008 0.00000 0.00000 -0.00019 111 5ZZ -0.00027 0.00002 0.00000 0.00000 -0.00008 112 5XY 0.00006 -0.00008 0.00000 0.00000 0.00002 113 5XZ 0.00000 0.00000 -0.00001 0.00002 0.00000 114 5YZ 0.00000 0.00000 -0.00007 -0.00005 0.00000 115 7 Br 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 116 2S -0.00002 -0.00003 0.00000 0.00000 -0.00003 117 3S 0.00008 0.00010 0.00000 0.00000 0.00011 118 4S 0.00003 0.00005 0.00000 0.00000 0.00012 119 5S -0.00082 -0.00033 0.00000 0.00000 0.00025 120 6S 0.00256 0.00105 0.00000 0.00000 -0.00049 121 7PX -0.28315 -0.31741 -0.00012 0.00023 -0.00002 122 7PY 0.58394 0.65786 0.00020 -0.00039 -0.00004 123 7PZ 0.00032 0.00039 -0.57608 0.78922 0.00000 124 8PX -0.01780 -0.01994 -0.00001 0.00001 0.00000 125 8PY 0.03667 0.04127 0.00001 -0.00002 0.00000 126 8PZ 0.00002 0.00002 -0.03611 0.04945 0.00000 127 9PX 0.00567 0.00623 0.00000 0.00000 0.00002 128 9PY -0.01136 -0.01262 0.00000 0.00001 -0.00001 129 9PZ -0.00001 -0.00001 0.01089 -0.01484 0.00000 130 10PX -0.00407 -0.00371 0.00000 0.00000 0.00028 131 10PY 0.00622 0.00660 0.00000 0.00000 0.00016 132 10PZ 0.00000 0.00000 -0.00537 0.00715 0.00000 133 11XX -0.00011 -0.00013 0.00000 0.00000 -0.00012 134 11YY -0.00002 -0.00005 0.00000 0.00000 -0.00012 135 11ZZ -0.00008 -0.00009 0.00000 0.00000 -0.00012 136 11XY 0.00001 0.00003 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 -0.00002 0.00003 0.00000 138 11YZ 0.00000 0.00000 -0.00002 0.00001 0.00000 139 12XX 0.00004 0.00018 0.00000 0.00000 -0.00003 140 12YY -0.00083 -0.00061 0.00000 0.00000 0.00004 141 12ZZ -0.00034 -0.00027 0.00000 0.00000 0.00005 142 12XY -0.00016 -0.00025 0.00000 0.00000 -0.00001 143 12XZ 0.00000 0.00000 0.00022 -0.00032 0.00000 144 12YZ 0.00000 0.00000 0.00015 -0.00014 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00001 146 2S 0.00003 -0.00003 0.00000 0.00000 0.00002 147 3S -0.00009 0.00009 0.00000 0.00000 -0.00008 148 4S -0.00003 0.00005 0.00000 0.00000 -0.00017 149 5S 0.00085 -0.00023 0.00000 0.00000 -0.00049 150 6S -0.00266 0.00075 0.00000 0.00000 0.00141 151 7PX -0.31868 0.28201 -0.00015 -0.00012 -0.00013 152 7PY 0.65723 -0.58451 -0.00002 0.00001 -0.00011 153 7PZ 0.00000 0.00011 0.78922 0.57609 0.00000 154 8PX -0.02003 0.01771 -0.00001 -0.00001 0.00002 155 8PY 0.04126 -0.03667 0.00000 0.00000 0.00001 156 8PZ 0.00000 0.00001 0.04946 0.03609 0.00000 157 9PX 0.00636 -0.00553 0.00000 0.00000 -0.00002 158 9PY -0.01277 0.01119 0.00000 0.00000 -0.00005 159 9PZ 0.00000 0.00000 -0.01489 -0.01081 0.00000 160 10PX -0.00448 0.00321 0.00000 0.00000 0.00059 161 10PY 0.00696 -0.00582 0.00000 0.00000 0.00041 162 10PZ 0.00000 0.00000 0.00730 0.00517 0.00000 163 11XX 0.00013 -0.00012 0.00000 0.00000 0.00011 164 11YY 0.00002 -0.00005 0.00000 0.00000 0.00011 165 11ZZ 0.00009 -0.00008 0.00000 0.00000 0.00012 166 11XY -0.00002 0.00002 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 -0.00003 -0.00002 0.00000 168 11YZ 0.00000 0.00000 -0.00002 -0.00001 0.00000 169 12XX -0.00006 0.00017 0.00000 0.00000 -0.00016 170 12YY 0.00090 -0.00051 0.00000 0.00000 -0.00020 171 12ZZ 0.00037 -0.00023 0.00000 0.00000 -0.00024 172 12XY 0.00019 -0.00023 0.00000 0.00000 0.00004 173 12XZ 0.00000 0.00000 0.00031 0.00024 0.00000 174 12YZ 0.00000 0.00000 0.00019 0.00009 0.00000 16 17 18 19 20 O O O O O Eigenvalues -- -56.14755 -9.61190 -9.61189 -9.45536 -9.45535 1 1 Al 1S 0.90000 0.00000 0.00000 -0.00001 0.00002 2 2S 0.01153 0.00014 0.00004 -0.00035 0.00014 3 2PX -0.00004 0.00006 0.00002 -0.00003 0.00008 4 2PY 0.00002 -0.00003 -0.00001 0.00000 -0.00005 5 2PZ 0.00000 0.00004 -0.00014 0.00000 0.00000 6 3S -0.02518 0.00136 0.00038 -0.00155 0.00145 7 3PX -0.00002 0.00181 0.00050 0.00096 -0.00107 8 3PY 0.00004 -0.00091 -0.00025 -0.00092 -0.00036 9 3PZ 0.00000 0.00077 -0.00279 0.00000 0.00000 10 4S 0.00273 0.00528 0.00146 0.00300 0.00679 11 4PX -0.00052 -0.00245 -0.00067 -0.00204 -0.00061 12 4PY 0.00016 0.00152 0.00042 -0.00649 -0.00369 13 4PZ 0.00000 -0.00061 0.00221 0.00000 0.00000 14 5XX 0.00858 -0.00086 -0.00024 -0.00010 0.00019 15 5YY 0.00859 0.00050 0.00014 -0.00027 -0.00022 16 5ZZ 0.00874 -0.00122 -0.00034 -0.00010 0.00019 17 5XY -0.00002 0.00114 0.00031 0.00008 -0.00019 18 5XZ 0.00000 -0.00052 0.00188 0.00000 0.00000 19 5YZ 0.00000 0.00028 -0.00100 0.00000 0.00000 20 2 Al 1S 0.42843 0.00000 0.00000 0.00000 -0.00002 21 2S 0.00559 0.00014 0.00004 -0.00029 -0.00025 22 2PX 0.00003 -0.00006 -0.00002 0.00001 0.00008 23 2PY -0.00001 0.00003 0.00001 0.00002 -0.00005 24 2PZ 0.00000 0.00004 -0.00014 0.00000 0.00000 25 3S -0.01126 0.00136 0.00038 -0.00101 -0.00187 26 3PX 0.00010 -0.00181 -0.00050 -0.00057 -0.00132 27 3PY -0.00008 0.00091 0.00025 0.00098 -0.00004 28 3PZ 0.00000 0.00077 -0.00279 0.00000 0.00000 29 4S 0.00033 0.00528 0.00146 0.00502 -0.00547 30 4PX -0.00001 0.00245 0.00068 0.00212 0.00008 31 4PY 0.00009 -0.00152 -0.00042 0.00733 -0.00142 32 4PZ 0.00000 -0.00061 0.00221 0.00000 0.00000 33 5XX 0.00389 -0.00086 -0.00024 -0.00004 -0.00021 34 5YY 0.00407 0.00050 0.00014 -0.00033 0.00012 35 5ZZ 0.00412 -0.00122 -0.00034 -0.00004 -0.00021 36 5XY 0.00013 0.00114 0.00032 0.00001 0.00020 37 5XZ 0.00000 0.00052 -0.00188 0.00000 0.00000 38 5YZ 0.00000 -0.00028 0.00100 0.00000 0.00000 39 3 Cl 1S -0.00001 -0.24725 0.14021 0.00000 0.00000 40 2S -0.00005 0.88846 -0.50359 -0.00003 -0.00001 41 2PX 0.00000 0.00000 0.00000 0.00000 0.00003 42 2PY 0.00000 0.00000 0.00000 0.00000 -0.00001 43 2PZ 0.00000 0.00394 -0.00225 0.00003 0.00000 44 3S -0.00066 0.07394 -0.04130 -0.00002 0.00000 45 3PX -0.00008 0.00000 0.00000 0.00003 -0.00021 46 3PY 0.00004 0.00000 0.00000 -0.00001 0.00007 47 3PZ -0.00024 0.00381 -0.00182 -0.00017 -0.00003 48 4S 0.00114 -0.02007 0.00671 0.00030 0.00005 49 4PX 0.00026 0.00000 0.00000 0.00017 -0.00104 50 4PY -0.00012 0.00000 0.00000 -0.00028 0.00168 51 4PZ 0.00020 -0.00158 0.00012 0.00142 0.00023 52 5XX 0.00021 -0.01475 0.00840 -0.00001 0.00000 53 5YY 0.00021 -0.01551 0.00904 -0.00019 -0.00003 54 5ZZ 0.00024 -0.01416 0.00847 0.00004 0.00001 55 5XY 0.00000 -0.00062 0.00050 0.00004 0.00001 56 5XZ 0.00005 0.00000 0.00000 0.00003 -0.00015 57 5YZ -0.00003 0.00000 0.00000 -0.00003 0.00017 58 4 Cl 1S -0.00001 -0.14019 -0.24726 0.00000 0.00000 59 2S -0.00005 0.50387 0.88830 -0.00003 -0.00001 60 2PX 0.00000 0.00000 0.00000 0.00000 0.00003 61 2PY 0.00000 0.00000 0.00000 0.00000 -0.00001 62 2PZ 0.00000 -0.00222 -0.00395 -0.00003 0.00000 63 3S -0.00066 0.04225 0.07340 -0.00002 0.00000 64 3PX -0.00008 0.00000 0.00000 0.00003 -0.00021 65 3PY 0.00004 0.00000 0.00000 -0.00001 0.00007 66 3PZ 0.00024 -0.00234 -0.00351 0.00017 0.00003 67 4S 0.00114 -0.01378 -0.01606 0.00031 0.00005 68 4PX 0.00026 0.00000 0.00000 0.00017 -0.00104 69 4PY -0.00012 0.00000 0.00000 -0.00028 0.00168 70 4PZ -0.00020 0.00130 0.00091 -0.00142 -0.00023 71 5XX 0.00021 -0.00835 -0.01478 -0.00001 0.00000 72 5YY 0.00021 -0.00867 -0.01572 -0.00019 -0.00003 73 5ZZ 0.00024 -0.00780 -0.01454 0.00004 0.00001 74 5XY 0.00000 -0.00027 -0.00075 0.00004 0.00001 75 5XZ -0.00005 0.00000 0.00000 -0.00003 0.00015 76 5YZ 0.00003 0.00000 0.00000 0.00003 -0.00017 77 5 Cl 1S 0.00000 0.00000 0.00000 -0.16597 -0.23122 78 2S -0.00002 0.00003 0.00001 0.59635 0.83066 79 2PX 0.00000 0.00002 0.00000 -0.00050 -0.00069 80 2PY 0.00003 0.00004 0.00001 0.00208 0.00290 81 2PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 82 3S 0.00015 0.00021 0.00006 0.04415 0.06120 83 3PX -0.00002 -0.00010 -0.00003 -0.00018 -0.00023 84 3PY -0.00010 -0.00021 -0.00006 0.00072 0.00093 85 3PZ 0.00000 -0.00001 0.00005 0.00000 0.00000 86 4S 0.00073 -0.00113 -0.00031 -0.01321 -0.01612 87 4PX 0.00004 0.00053 0.00015 0.00058 0.00064 88 4PY 0.00070 -0.00038 -0.00011 -0.00215 -0.00263 89 4PZ 0.00000 0.00004 -0.00015 0.00000 0.00000 90 5XX -0.00008 0.00001 0.00000 -0.00914 -0.01295 91 5YY -0.00021 -0.00011 -0.00003 -0.00905 -0.01283 92 5ZZ -0.00008 0.00004 0.00001 -0.00917 -0.01293 93 5XY 0.00004 0.00001 0.00000 0.00000 -0.00001 94 5XZ 0.00000 0.00001 -0.00005 0.00000 0.00000 95 5YZ 0.00000 -0.00001 0.00005 0.00000 0.00000 96 6 Cl 1S 0.00000 0.00000 0.00000 -0.23122 0.16598 97 2S -0.00001 0.00003 0.00001 0.83073 -0.59626 98 2PX 0.00000 -0.00002 0.00000 0.00069 -0.00050 99 2PY -0.00002 -0.00004 -0.00001 -0.00289 0.00209 100 2PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 101 3S 0.00008 0.00021 0.00006 0.06140 -0.04387 102 3PX 0.00000 0.00010 0.00003 0.00024 -0.00017 103 3PY 0.00008 0.00021 0.00006 -0.00098 0.00065 104 3PZ 0.00000 -0.00001 0.00005 0.00000 0.00000 105 4S 0.00033 -0.00112 -0.00031 -0.01767 0.01105 106 4PX -0.00004 -0.00053 -0.00015 -0.00075 0.00043 107 4PY -0.00035 0.00038 0.00011 0.00287 -0.00181 108 4PZ 0.00000 0.00004 -0.00015 0.00000 0.00000 109 5XX -0.00005 0.00001 0.00000 -0.01280 0.00934 110 5YY -0.00011 -0.00011 -0.00003 -0.01268 0.00926 111 5ZZ -0.00004 0.00004 0.00001 -0.01282 0.00932 112 5XY 0.00004 0.00001 0.00000 0.00000 0.00001 113 5XZ 0.00000 -0.00001 0.00005 0.00000 0.00000 114 5YZ 0.00000 0.00002 -0.00005 0.00000 0.00000 115 7 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00000 0.00006 0.00002 -0.00010 -0.00003 117 3S 0.00001 -0.00017 -0.00005 0.00029 0.00010 118 4S -0.00011 -0.00007 -0.00002 0.00004 0.00001 119 5S -0.00048 0.00075 0.00021 -0.00107 0.00001 120 6S 0.00164 -0.00263 -0.00073 0.00397 0.00019 121 7PX 0.00018 0.00000 0.00000 0.00000 0.00001 122 7PY 0.00013 0.00001 0.00000 0.00000 -0.00001 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX -0.00002 -0.00002 0.00000 -0.00001 -0.00003 125 8PY -0.00002 -0.00004 -0.00001 0.00000 0.00004 126 8PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 127 9PX 0.00006 0.00002 0.00001 0.00006 0.00017 128 9PY 0.00007 0.00019 0.00005 -0.00005 -0.00024 129 9PZ 0.00000 -0.00001 0.00005 0.00000 0.00000 130 10PX -0.00058 0.00084 0.00023 -0.00041 -0.00030 131 10PY -0.00045 -0.00015 -0.00004 0.00035 0.00088 132 10PZ 0.00000 0.00004 -0.00016 0.00000 0.00000 133 11XX 0.00003 0.00013 0.00004 -0.00021 -0.00009 134 11YY 0.00002 0.00014 0.00004 -0.00019 -0.00006 135 11ZZ 0.00003 0.00012 0.00003 -0.00021 -0.00006 136 11XY 0.00000 0.00001 0.00000 0.00001 0.00002 137 11XZ 0.00000 -0.00001 0.00003 0.00000 0.00000 138 11YZ 0.00000 0.00000 -0.00001 0.00000 0.00000 139 12XX -0.00029 0.00028 0.00008 -0.00073 0.00001 140 12YY -0.00027 0.00038 0.00010 -0.00090 -0.00023 141 12ZZ -0.00031 0.00051 0.00014 -0.00070 -0.00021 142 12XY 0.00005 -0.00010 -0.00003 -0.00007 -0.00016 143 12XZ 0.00000 0.00006 -0.00020 0.00000 0.00000 144 12YZ 0.00000 -0.00001 0.00003 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S -0.00002 0.00006 0.00002 -0.00011 0.00000 147 3S 0.00008 -0.00017 -0.00005 0.00030 0.00000 148 4S -0.00001 -0.00007 -0.00002 0.00004 0.00000 149 5S -0.00022 0.00075 0.00021 -0.00101 -0.00035 150 6S 0.00097 -0.00263 -0.00073 0.00382 0.00108 151 7PX -0.00013 0.00000 0.00000 -0.00001 0.00001 152 7PY -0.00008 -0.00001 0.00000 0.00000 -0.00001 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00002 0.00002 0.00000 0.00002 -0.00003 155 8PY 0.00001 0.00004 0.00001 -0.00002 0.00003 156 8PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 157 9PX -0.00005 -0.00002 -0.00001 -0.00011 0.00014 158 9PY -0.00005 -0.00019 -0.00005 0.00012 -0.00021 159 9PZ 0.00000 -0.00001 0.00005 0.00000 0.00000 160 10PX 0.00027 -0.00084 -0.00023 0.00049 -0.00016 161 10PY 0.00024 0.00015 0.00004 -0.00061 0.00072 162 10PZ 0.00000 0.00004 -0.00016 0.00000 0.00000 163 11XX -0.00005 0.00013 0.00004 -0.00023 0.00002 164 11YY -0.00006 0.00014 0.00004 -0.00020 0.00000 165 11ZZ -0.00006 0.00012 0.00003 -0.00022 -0.00001 166 11XY 0.00000 0.00001 0.00000 0.00001 -0.00002 167 11XZ 0.00000 0.00001 -0.00003 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00001 0.00000 0.00000 169 12XX -0.00025 0.00028 0.00008 -0.00069 -0.00024 170 12YY -0.00019 0.00038 0.00010 -0.00092 -0.00007 171 12ZZ -0.00021 0.00051 0.00014 -0.00074 -0.00002 172 12XY 0.00003 -0.00010 -0.00003 -0.00012 0.00013 173 12XZ 0.00000 -0.00006 0.00020 0.00000 0.00000 174 12YZ 0.00000 0.00001 -0.00003 0.00000 0.00000 21 22 23 24 25 O O O O O Eigenvalues -- -8.58399 -8.58364 -7.36634 -7.36633 -7.36593 1 1 Al 1S 0.00010 -0.00003 -0.00016 -0.00005 -0.00029 2 2S 0.00186 -0.00109 -0.00044 -0.00014 -0.00290 3 2PX -0.00013 -0.00055 -0.00026 -0.00008 -0.00040 4 2PY -0.00016 0.00012 0.00014 0.00004 0.00020 5 2PZ 0.00000 0.00000 -0.00006 0.00020 0.00000 6 3S 0.01158 -0.00554 -0.00601 -0.00190 -0.02349 7 3PX -0.00512 0.00385 0.00905 0.00288 0.01579 8 3PY 0.00171 -0.00437 -0.00468 -0.00149 -0.00809 9 3PZ 0.00000 0.00000 0.00328 -0.01020 0.00031 10 4S -0.02820 -0.01573 0.03404 0.01092 -0.00608 11 4PX -0.02748 -0.01988 -0.01196 -0.00383 0.00032 12 4PY -0.03260 -0.00642 0.00610 0.00196 -0.00112 13 4PZ 0.00000 0.00000 -0.00121 0.00378 0.00011 14 5XX 0.00129 -0.00053 -0.00219 -0.00070 -0.00217 15 5YY 0.00033 -0.00003 0.00122 0.00039 0.00220 16 5ZZ -0.00031 -0.00145 -0.00327 -0.00105 -0.00065 17 5XY 0.00098 0.00181 0.00282 0.00090 0.00363 18 5XZ 0.00000 0.00000 -0.00175 0.00545 -0.00016 19 5YZ 0.00000 0.00000 0.00092 -0.00287 0.00008 20 2 Al 1S 0.00010 0.00004 0.00016 0.00005 -0.00029 21 2S 0.00183 0.00113 0.00044 0.00014 -0.00290 22 2PX 0.00014 -0.00054 -0.00026 -0.00008 0.00040 23 2PY 0.00016 0.00012 0.00014 0.00004 -0.00020 24 2PZ 0.00000 0.00000 0.00006 -0.00020 0.00000 25 3S 0.01146 0.00580 0.00600 0.00196 -0.02349 26 3PX 0.00503 0.00396 0.00904 0.00292 -0.01579 27 3PY -0.00161 -0.00441 -0.00467 -0.00151 0.00809 28 3PZ 0.00000 0.00000 -0.00327 0.01021 0.00033 29 4S -0.02856 0.01511 -0.03404 -0.01091 -0.00610 30 4PX 0.02790 -0.01926 -0.01196 -0.00383 -0.00033 31 4PY 0.03275 -0.00570 0.00610 0.00196 0.00112 32 4PZ 0.00001 0.00000 0.00122 -0.00378 0.00010 33 5XX 0.00127 0.00056 0.00219 0.00070 -0.00217 34 5YY 0.00033 0.00003 -0.00122 -0.00039 0.00220 35 5ZZ -0.00034 0.00144 0.00327 0.00105 -0.00065 36 5XY 0.00102 -0.00179 -0.00282 -0.00091 0.00362 37 5XZ 0.00000 0.00000 -0.00174 0.00545 0.00018 38 5YZ 0.00000 0.00000 0.00092 -0.00287 -0.00009 39 3 Cl 1S -0.00001 0.00000 0.00000 0.00000 0.00131 40 2S 0.00024 0.00000 -0.00001 0.00000 -0.00470 41 2PX 0.00000 -0.00003 0.78182 -0.40225 -0.00068 42 2PY 0.00000 0.00014 -0.40142 0.20638 0.00017 43 2PZ -0.00015 0.00000 0.00065 -0.00051 0.72420 44 3S 0.00041 0.00000 0.00000 0.00000 0.00037 45 3PX -0.00001 0.00063 0.03241 -0.01684 -0.00003 46 3PY 0.00001 -0.00098 -0.01660 0.00860 0.00001 47 3PZ 0.00114 0.00001 0.00003 -0.00002 0.03097 48 4S -0.00045 -0.00001 0.00002 -0.00003 0.03213 49 4PX -0.00009 0.00843 -0.00992 0.00068 0.00000 50 4PY -0.00002 0.00207 0.00507 -0.00031 0.00000 51 4PZ -0.00873 -0.00010 0.00000 -0.00001 0.00441 52 5XX 0.00037 0.00000 0.00000 0.00000 0.00071 53 5YY 0.00025 0.00000 0.00000 0.00000 -0.00065 54 5ZZ -0.00029 0.00000 0.00000 0.00000 0.00481 55 5XY 0.00031 0.00000 0.00000 0.00000 -0.00106 56 5XZ -0.00001 0.00089 0.00386 -0.00226 0.00000 57 5YZ 0.00000 -0.00011 -0.00196 0.00115 0.00000 58 4 Cl 1S -0.00001 0.00000 0.00000 0.00000 0.00122 59 2S 0.00024 0.00000 0.00000 0.00001 -0.00437 60 2PX 0.00000 -0.00003 0.40215 0.78190 0.00073 61 2PY 0.00000 0.00014 -0.20653 -0.40127 -0.00046 62 2PZ 0.00015 0.00000 0.00039 0.00104 -0.67216 63 3S 0.00041 0.00000 0.00000 0.00000 0.00025 64 3PX -0.00001 0.00063 0.01657 0.03254 0.00003 65 3PY 0.00001 -0.00098 -0.00850 -0.01665 -0.00002 66 3PZ -0.00114 -0.00001 0.00001 0.00004 -0.02895 67 4S -0.00045 0.00000 -0.00001 -0.00004 0.03111 68 4PX -0.00009 0.00843 -0.00767 -0.00632 -0.00001 69 4PY -0.00003 0.00207 0.00394 0.00320 0.00000 70 4PZ 0.00873 0.00010 0.00000 0.00000 -0.00476 71 5XX 0.00037 0.00000 0.00000 0.00000 0.00064 72 5YY 0.00025 0.00000 0.00000 0.00000 -0.00060 73 5ZZ -0.00029 0.00000 0.00000 -0.00001 0.00463 74 5XY 0.00031 0.00000 0.00000 0.00000 -0.00097 75 5XZ 0.00001 -0.00089 -0.00183 -0.00408 0.00000 76 5YZ 0.00000 0.00011 0.00093 0.00208 0.00000 77 5 Cl 1S 0.00004 0.00000 0.00001 0.00000 -0.00001 78 2S 0.00022 -0.00001 0.00004 0.00001 -0.00004 79 2PX 0.00006 0.00022 -0.00002 -0.00001 0.00000 80 2PY 0.00003 -0.00002 -0.00001 0.00000 0.00000 81 2PZ 0.00000 0.00000 -0.00001 0.00002 0.00000 82 3S 0.00075 -0.00021 0.00037 0.00012 -0.00008 83 3PX -0.00046 -0.00140 -0.00007 -0.00002 0.00009 84 3PY -0.00022 0.00008 -0.00036 -0.00011 -0.00011 85 3PZ 0.00000 0.00000 0.00000 0.00001 0.00001 86 4S -0.00717 0.00123 -0.00254 -0.00081 0.00081 87 4PX 0.00353 0.00510 0.00039 0.00013 -0.00066 88 4PY 0.00110 0.00090 -0.00098 -0.00031 -0.00004 89 4PZ 0.00000 0.00000 -0.00008 0.00024 -0.00004 90 5XX 0.00051 -0.00008 0.00005 0.00002 -0.00004 91 5YY 0.00075 0.00022 -0.00028 -0.00009 -0.00028 92 5ZZ 0.00044 0.00025 0.00002 0.00001 -0.00011 93 5XY 0.00030 0.00031 -0.00011 -0.00003 -0.00007 94 5XZ 0.00000 0.00000 0.00003 -0.00010 0.00000 95 5YZ 0.00000 0.00000 -0.00005 0.00017 0.00000 96 6 Cl 1S 0.00004 0.00000 -0.00001 0.00000 -0.00001 97 2S 0.00022 0.00002 -0.00004 -0.00001 -0.00004 98 2PX -0.00007 0.00022 -0.00002 -0.00001 0.00000 99 2PY -0.00003 -0.00002 -0.00001 0.00000 0.00000 100 2PZ 0.00000 0.00000 0.00001 -0.00002 0.00000 101 3S 0.00074 0.00023 -0.00037 -0.00012 -0.00008 102 3PX 0.00049 -0.00139 -0.00007 -0.00002 -0.00009 103 3PY 0.00021 0.00008 -0.00036 -0.00011 0.00011 104 3PZ 0.00000 0.00000 0.00000 -0.00001 0.00001 105 4S -0.00714 -0.00139 0.00254 0.00081 0.00081 106 4PX -0.00364 0.00502 0.00039 0.00013 0.00066 107 4PY -0.00112 0.00088 -0.00098 -0.00031 0.00004 108 4PZ 0.00000 0.00000 0.00007 -0.00024 -0.00004 109 5XX 0.00051 0.00009 -0.00005 -0.00002 -0.00004 110 5YY 0.00076 -0.00020 0.00028 0.00009 -0.00028 111 5ZZ 0.00045 -0.00024 -0.00002 -0.00001 -0.00011 112 5XY 0.00030 -0.00030 0.00011 0.00003 -0.00007 113 5XZ 0.00000 0.00000 0.00003 -0.00010 0.00000 114 5YZ 0.00000 0.00000 -0.00005 0.00017 0.00000 115 7 Br 1S 0.11720 0.11989 0.00001 0.00000 -0.00001 116 2S -0.65853 -0.67275 0.00001 0.00000 -0.00005 117 3S 0.60999 0.62153 -0.00006 -0.00002 0.00029 118 4S 0.87047 0.89014 -0.00006 -0.00002 -0.00010 119 5S 0.18447 0.19877 0.00087 0.00028 -0.00139 120 6S 0.25698 0.22814 -0.00331 -0.00107 0.00469 121 7PX 0.00117 0.00114 0.00001 0.00000 0.00001 122 7PY 0.00053 0.00052 0.00001 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX -0.00308 -0.00297 -0.00005 -0.00001 -0.00004 125 8PY -0.00140 -0.00136 -0.00004 -0.00001 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX 0.00468 0.00370 0.00021 0.00007 0.00024 128 9PY 0.00207 0.00171 0.00019 0.00006 -0.00004 129 9PZ 0.00000 0.00000 0.00002 -0.00005 0.00001 130 10PX -0.01532 -0.01125 0.00121 0.00039 -0.00066 131 10PY -0.00645 -0.00530 0.00034 0.00011 0.00051 132 10PZ 0.00000 0.00000 -0.00007 0.00023 -0.00004 133 11XX -0.30984 -0.31523 0.00004 0.00001 -0.00021 134 11YY -0.31018 -0.31568 0.00010 0.00003 -0.00019 135 11ZZ -0.31042 -0.31578 0.00006 0.00002 -0.00020 136 11XY 0.00032 0.00036 0.00004 0.00001 0.00004 137 11XZ 0.00000 0.00000 -0.00002 0.00007 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX -0.10906 -0.10463 0.00026 0.00008 -0.00098 140 12YY -0.11040 -0.10524 -0.00002 -0.00001 -0.00119 141 12ZZ -0.10981 -0.10569 0.00035 0.00011 -0.00103 142 12XY 0.00057 0.00033 -0.00046 -0.00015 -0.00037 143 12XZ 0.00000 0.00000 0.00017 -0.00054 0.00001 144 12YZ 0.00000 0.00000 0.00002 -0.00005 0.00001 145 8 Br 1S 0.11983 -0.11726 -0.00001 0.00000 -0.00001 146 2S -0.67329 0.65798 -0.00001 0.00000 -0.00005 147 3S 0.62363 -0.60785 0.00006 0.00002 0.00029 148 4S 0.89000 -0.87062 0.00006 0.00002 -0.00010 149 5S 0.18883 -0.19463 -0.00088 -0.00028 -0.00139 150 6S 0.26198 -0.22238 0.00331 0.00106 0.00468 151 7PX -0.00119 0.00112 0.00001 0.00000 -0.00001 152 7PY -0.00054 0.00051 0.00001 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00314 -0.00290 -0.00005 -0.00001 0.00004 155 8PY 0.00144 -0.00133 -0.00004 -0.00001 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX -0.00476 0.00360 0.00021 0.00007 -0.00024 158 9PY -0.00211 0.00167 0.00019 0.00006 0.00004 159 9PZ 0.00000 0.00000 -0.00002 0.00005 0.00001 160 10PX 0.01556 -0.01091 0.00121 0.00039 0.00066 161 10PY 0.00657 -0.00516 0.00034 0.00011 -0.00051 162 10PZ 0.00000 0.00000 0.00007 -0.00023 -0.00004 163 11XX -0.31676 0.30828 -0.00004 -0.00001 -0.00021 164 11YY -0.31710 0.30873 -0.00010 -0.00003 -0.00019 165 11ZZ -0.31735 0.30882 -0.00006 -0.00002 -0.00020 166 11XY 0.00033 -0.00036 -0.00004 -0.00001 0.00004 167 11XZ 0.00000 0.00000 -0.00002 0.00007 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX -0.11135 0.10219 -0.00026 -0.00008 -0.00098 170 12YY -0.11271 0.10277 0.00002 0.00001 -0.00119 171 12ZZ -0.11213 0.10323 -0.00035 -0.00011 -0.00103 172 12XY 0.00058 -0.00032 0.00046 0.00015 -0.00037 173 12XZ 0.00000 0.00000 0.00017 -0.00054 -0.00001 174 12YZ 0.00000 0.00000 0.00002 -0.00005 -0.00001 26 27 28 29 30 O O O O O Eigenvalues -- -7.36581 -7.35996 -7.35991 -7.21576 -7.21575 1 1 Al 1S 0.00001 0.00000 0.00000 0.00000 0.00003 2 2S 0.00011 0.00002 0.00000 0.00040 0.00004 3 2PX 0.00002 0.00001 0.00000 0.00001 0.00010 4 2PY -0.00001 0.00001 0.00000 0.00001 -0.00032 5 2PZ 0.00002 0.00000 0.00001 0.00000 0.00000 6 3S 0.00088 0.00027 0.00002 0.00101 0.00312 7 3PX -0.00060 -0.00017 -0.00001 -0.00112 -0.00080 8 3PY 0.00030 -0.00004 0.00000 0.00107 0.00080 9 3PZ 0.00863 0.00001 -0.00009 0.00000 0.00000 10 4S 0.00019 0.00063 0.00006 0.00104 0.00439 11 4PX 0.00000 0.00215 0.00017 -0.00073 -0.00091 12 4PY 0.00003 0.00402 0.00032 0.00017 0.00085 13 4PZ 0.00288 0.00000 0.00000 0.00000 0.00000 14 5XX 0.00008 0.00082 0.00007 0.00023 0.00007 15 5YY -0.00008 -0.00096 -0.00008 0.00119 -0.00268 16 5ZZ 0.00003 0.00000 0.00000 0.00015 -0.00004 17 5XY -0.00014 0.00063 0.00005 -0.00033 -0.00021 18 5XZ -0.00456 0.00006 -0.00069 0.00000 0.00000 19 5YZ 0.00237 0.00011 -0.00134 0.00000 0.00000 20 2 Al 1S 0.00001 0.00000 0.00000 -0.00002 -0.00002 21 2S 0.00011 -0.00002 0.00000 0.00017 -0.00037 22 2PX -0.00001 0.00001 0.00000 0.00008 0.00006 23 2PY 0.00001 0.00001 0.00000 -0.00028 -0.00016 24 2PZ 0.00002 0.00000 -0.00001 0.00000 0.00000 25 3S 0.00087 -0.00028 -0.00002 -0.00217 -0.00246 26 3PX 0.00058 -0.00017 -0.00001 -0.00012 -0.00137 27 3PY -0.00030 -0.00004 0.00000 0.00014 0.00133 28 3PZ 0.00863 -0.00001 0.00010 0.00000 0.00000 29 4S 0.00026 -0.00064 -0.00006 -0.00324 -0.00314 30 4PX 0.00003 0.00215 0.00017 -0.00041 -0.00109 31 4PY -0.00005 0.00402 0.00033 0.00065 0.00058 32 4PZ 0.00288 0.00000 0.00000 0.00000 0.00000 33 5XX 0.00008 -0.00082 -0.00007 0.00005 -0.00023 34 5YY -0.00008 0.00096 0.00008 0.00291 0.00034 35 5ZZ 0.00002 0.00000 0.00000 0.00011 -0.00011 36 5XY -0.00013 -0.00063 -0.00005 0.00001 0.00039 37 5XZ 0.00456 0.00006 -0.00069 0.00000 0.00000 38 5YZ -0.00237 0.00011 -0.00134 0.00000 0.00000 39 3 Cl 1S 0.00123 0.00000 0.00000 0.00001 0.00000 40 2S -0.00432 0.00000 0.00000 0.00019 -0.00011 41 2PX -0.00048 0.34441 -0.29281 0.00005 0.00008 42 2PY 0.00008 0.67075 -0.57062 -0.00010 -0.00018 43 2PZ 0.67260 0.00016 -0.00014 -0.00007 0.00004 44 3S 0.00162 0.00000 0.00000 0.00027 -0.00016 45 3PX -0.00002 0.01161 -0.00947 -0.00022 -0.00039 46 3PY 0.00000 0.02262 -0.01837 0.00037 0.00065 47 3PZ 0.02599 0.00001 0.00000 0.00030 -0.00017 48 4S 0.01254 0.00000 0.00000 -0.00173 0.00099 49 4PX 0.00001 -0.00474 0.00266 -0.00040 -0.00070 50 4PY 0.00000 -0.00872 0.00528 -0.00046 -0.00080 51 4PZ -0.00487 0.00000 0.00000 -0.00133 0.00076 52 5XX 0.00091 0.00000 0.00000 0.00043 -0.00024 53 5YY -0.00063 0.00000 0.00000 0.00036 -0.00021 54 5ZZ 0.00225 0.00000 0.00000 0.00037 -0.00021 55 5XY -0.00122 0.00000 0.00000 -0.00009 0.00005 56 5XZ 0.00000 0.00056 -0.00036 -0.00010 -0.00018 57 5YZ 0.00000 0.00114 -0.00067 0.00011 0.00019 58 4 Cl 1S -0.00133 0.00000 0.00000 0.00001 0.00000 59 2S 0.00465 0.00000 0.00000 0.00019 -0.00011 60 2PX -0.00058 0.29285 0.34430 0.00005 0.00008 61 2PY 0.00040 0.57037 0.67100 -0.00010 -0.00018 62 2PZ 0.72461 -0.00007 -0.00009 0.00007 -0.00004 63 3S -0.00164 0.00000 0.00000 0.00027 -0.00016 64 3PX -0.00002 0.00994 0.01122 -0.00022 -0.00039 65 3PY 0.00002 0.01937 0.02177 0.00037 0.00065 66 3PZ 0.02822 0.00000 0.00000 -0.00030 0.00017 67 4S -0.01489 0.00000 0.00000 -0.00173 0.00099 68 4PX 0.00001 -0.00425 -0.00339 -0.00040 -0.00070 69 4PY 0.00000 -0.00776 -0.00661 -0.00046 -0.00080 70 4PZ -0.00452 0.00000 0.00000 0.00133 -0.00076 71 5XX -0.00096 0.00000 0.00000 0.00043 -0.00025 72 5YY 0.00067 0.00000 0.00000 0.00036 -0.00021 73 5ZZ -0.00260 0.00000 0.00000 0.00037 -0.00021 74 5XY 0.00129 0.00000 0.00000 -0.00009 0.00005 75 5XZ 0.00000 -0.00049 -0.00044 0.00010 0.00018 76 5YZ 0.00000 -0.00102 -0.00085 -0.00011 -0.00018 77 5 Cl 1S 0.00000 -0.00001 0.00000 -0.00030 0.00109 78 2S 0.00000 -0.00001 0.00000 0.00107 -0.00390 79 2PX 0.00000 0.00002 0.00000 0.04094 -0.14944 80 2PY 0.00000 0.00001 0.00000 -0.25815 0.94385 81 2PZ 0.00001 0.00000 -0.00001 0.00008 -0.00029 82 3S 0.00000 -0.00022 -0.00002 -0.00009 0.00035 83 3PX 0.00000 -0.00001 0.00000 0.00126 -0.00456 84 3PY 0.00000 0.00038 0.00003 -0.00776 0.02832 85 3PZ 0.00023 -0.00002 0.00029 0.00000 -0.00001 86 4S -0.00003 0.00151 0.00012 0.00050 -0.00143 87 4PX 0.00002 -0.00007 0.00000 -0.00038 0.00157 88 4PY 0.00000 -0.00058 -0.00005 0.00239 -0.00859 89 4PZ -0.00110 0.00007 -0.00093 0.00000 0.00000 90 5XX 0.00000 0.00003 0.00000 -0.00003 0.00011 91 5YY 0.00001 0.00005 0.00000 -0.00028 0.00089 92 5ZZ 0.00000 0.00005 0.00000 -0.00004 0.00009 93 5XY 0.00000 0.00012 0.00001 0.00006 -0.00015 94 5XZ 0.00003 -0.00001 0.00010 0.00000 0.00000 95 5YZ -0.00012 0.00002 -0.00020 0.00000 0.00000 96 6 Cl 1S 0.00000 0.00001 0.00000 -0.00109 -0.00030 97 2S 0.00000 0.00001 0.00000 0.00390 0.00107 98 2PX 0.00000 0.00002 0.00000 -0.14942 -0.04080 99 2PY 0.00000 0.00001 0.00000 0.94385 0.25818 100 2PZ 0.00001 0.00000 0.00001 0.00012 0.00003 101 3S 0.00000 0.00022 0.00002 -0.00035 -0.00010 102 3PX 0.00000 -0.00001 0.00000 -0.00456 -0.00124 103 3PY 0.00000 0.00038 0.00003 0.02833 0.00773 104 3PZ 0.00023 0.00002 -0.00029 0.00000 0.00000 105 4S -0.00003 -0.00150 -0.00012 0.00149 0.00030 106 4PX -0.00003 -0.00007 -0.00001 0.00155 0.00047 107 4PY 0.00000 -0.00058 -0.00005 -0.00861 -0.00231 108 4PZ -0.00110 -0.00008 0.00093 0.00000 0.00000 109 5XX 0.00000 -0.00003 0.00000 -0.00011 -0.00003 110 5YY 0.00001 -0.00005 0.00000 -0.00091 -0.00021 111 5ZZ 0.00000 -0.00005 0.00000 -0.00010 -0.00001 112 5XY 0.00000 -0.00012 -0.00001 0.00016 0.00003 113 5XZ -0.00003 -0.00001 0.00010 0.00000 0.00000 114 5YZ 0.00012 0.00002 -0.00020 0.00000 0.00000 115 7 Br 1S 0.00000 0.00002 0.00000 0.00000 0.00000 116 2S 0.00000 0.00005 0.00000 -0.00002 -0.00001 117 3S -0.00001 -0.00029 -0.00002 0.00009 0.00004 118 4S 0.00000 0.00000 0.00000 -0.00002 -0.00001 119 5S 0.00005 0.00085 0.00007 -0.00042 0.00030 120 6S -0.00017 -0.00398 -0.00032 0.00133 -0.00089 121 7PX 0.00000 0.00001 0.00000 0.00000 0.00000 122 7PY 0.00000 0.00001 0.00000 0.00000 0.00001 123 7PZ 0.00001 0.00000 -0.00002 0.00000 0.00000 124 8PX 0.00000 -0.00005 0.00000 -0.00001 0.00000 125 8PY 0.00000 -0.00003 0.00000 0.00001 -0.00004 126 8PZ -0.00004 0.00000 0.00006 0.00000 0.00000 127 9PX -0.00001 0.00033 0.00003 0.00009 0.00000 128 9PY 0.00000 0.00016 0.00001 -0.00003 0.00025 129 9PZ 0.00030 0.00003 -0.00040 0.00000 0.00000 130 10PX 0.00002 -0.00018 -0.00001 -0.00024 0.00037 131 10PY -0.00002 -0.00021 -0.00002 -0.00006 -0.00033 132 10PZ -0.00111 -0.00008 0.00095 0.00000 0.00000 133 11XX 0.00001 0.00017 0.00001 -0.00007 -0.00002 134 11YY 0.00001 0.00028 0.00002 -0.00006 -0.00005 135 11ZZ 0.00001 0.00025 0.00002 -0.00006 -0.00001 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ -0.00003 -0.00001 0.00009 0.00000 0.00000 138 11YZ -0.00002 0.00000 0.00001 0.00000 0.00000 139 12XX 0.00004 0.00103 0.00008 -0.00028 -0.00006 140 12YY 0.00004 0.00037 0.00003 -0.00031 0.00016 141 12ZZ 0.00004 0.00056 0.00004 -0.00030 -0.00006 142 12XY 0.00001 -0.00004 0.00000 0.00003 -0.00002 143 12XZ 0.00030 0.00005 -0.00060 0.00000 0.00000 144 12YZ 0.00016 0.00001 -0.00008 0.00000 0.00000 145 8 Br 1S 0.00000 -0.00002 0.00000 0.00000 0.00000 146 2S 0.00000 -0.00005 0.00000 0.00000 0.00002 147 3S -0.00001 0.00029 0.00002 0.00001 -0.00009 148 4S 0.00000 0.00000 0.00000 0.00000 0.00002 149 5S 0.00005 -0.00085 -0.00007 -0.00047 0.00020 150 6S -0.00017 0.00398 0.00033 0.00145 -0.00069 151 7PX 0.00000 0.00001 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00001 0.00000 0.00001 0.00000 153 7PZ 0.00001 0.00000 0.00002 0.00000 0.00000 154 8PX 0.00000 -0.00005 0.00000 0.00000 -0.00001 155 8PY 0.00000 -0.00003 0.00000 -0.00004 -0.00002 156 8PZ -0.00004 0.00000 -0.00006 0.00000 0.00000 157 9PX 0.00001 0.00033 0.00003 -0.00004 0.00008 158 9PY 0.00000 0.00016 0.00001 0.00023 0.00011 159 9PZ 0.00030 -0.00003 0.00040 0.00000 0.00000 160 10PX -0.00003 -0.00018 -0.00001 0.00045 -0.00002 161 10PY 0.00002 -0.00021 -0.00002 -0.00026 -0.00022 162 10PZ -0.00111 0.00008 -0.00095 0.00000 0.00000 163 11XX 0.00001 -0.00017 -0.00001 -0.00002 0.00007 164 11YY 0.00001 -0.00028 -0.00002 0.00001 0.00007 165 11ZZ 0.00001 -0.00025 -0.00002 -0.00002 0.00006 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00003 -0.00001 0.00009 0.00000 0.00000 168 11YZ 0.00002 0.00000 0.00001 0.00000 0.00000 169 12XX 0.00004 -0.00103 -0.00008 -0.00009 0.00027 170 12YY 0.00004 -0.00037 -0.00003 -0.00030 0.00019 171 12ZZ 0.00004 -0.00056 -0.00005 -0.00010 0.00029 172 12XY 0.00001 0.00004 0.00000 0.00003 -0.00002 173 12XZ -0.00030 0.00005 -0.00060 0.00000 0.00000 174 12YZ -0.00016 0.00001 -0.00008 0.00000 0.00000 31 32 33 34 35 O O O O O Eigenvalues -- -7.21129 -7.21128 -7.21116 -7.21115 -6.53252 1 1 Al 1S 0.00000 0.00000 0.00001 0.00001 -0.00001 2 2S 0.00000 0.00000 -0.00002 0.00003 -0.00045 3 2PX 0.00000 0.00000 -0.00006 0.00003 -0.00005 4 2PY 0.00000 0.00000 0.00001 -0.00001 0.00002 5 2PZ 0.00002 0.00002 0.00000 0.00000 0.00000 6 3S 0.00000 0.00000 0.00045 0.00059 -0.00183 7 3PX 0.00000 0.00000 0.00111 0.00018 0.00186 8 3PY 0.00000 0.00000 -0.00021 0.00002 -0.00037 9 3PZ -0.00083 -0.00013 0.00000 0.00000 0.00000 10 4S 0.00002 -0.00001 -0.02364 -0.00783 -0.00012 11 4PX -0.00001 0.00001 0.01174 0.00832 0.00194 12 4PY 0.00000 0.00000 -0.00406 -0.00149 0.00188 13 4PZ -0.00214 0.00330 0.00000 0.00000 0.00000 14 5XX 0.00000 0.00000 -0.00023 -0.00012 -0.00069 15 5YY 0.00000 0.00000 -0.00020 0.00003 -0.00013 16 5ZZ 0.00000 0.00000 -0.00022 -0.00036 -0.00016 17 5XY 0.00000 0.00000 0.00014 0.00015 -0.00012 18 5XZ 0.00017 0.00000 0.00000 0.00000 0.00000 19 5YZ -0.00029 0.00001 0.00000 0.00000 0.00000 20 2 Al 1S 0.00000 0.00000 -0.00001 0.00000 0.00001 21 2S 0.00000 0.00000 0.00000 0.00003 -0.00026 22 2PX 0.00000 0.00000 -0.00003 -0.00006 -0.00011 23 2PY 0.00000 0.00000 0.00001 0.00001 -0.00003 24 2PZ 0.00000 0.00003 0.00000 0.00000 0.00000 25 3S 0.00000 0.00000 -0.00069 0.00026 0.00051 26 3PX 0.00000 0.00000 0.00103 0.00043 -0.00114 27 3PY 0.00000 0.00000 -0.00016 -0.00013 -0.00054 28 3PZ 0.00047 -0.00070 0.00000 0.00000 0.00000 29 4S -0.00002 0.00001 0.02419 0.00591 0.00629 30 4PX -0.00001 0.00000 0.01437 -0.00082 -0.00190 31 4PY 0.00000 0.00000 -0.00423 -0.00089 -0.00306 32 4PZ 0.00388 0.00065 0.00000 0.00000 0.00000 33 5XX 0.00000 0.00000 0.00026 0.00002 -0.00069 34 5YY 0.00000 0.00000 0.00015 0.00013 -0.00046 35 5ZZ 0.00000 0.00000 0.00038 -0.00018 -0.00002 36 5XY 0.00000 0.00000 -0.00020 0.00006 -0.00065 37 5XZ 0.00011 -0.00013 0.00000 0.00000 0.00000 38 5YZ -0.00021 0.00021 0.00000 0.00000 0.00000 39 3 Cl 1S 0.00000 0.00000 0.00000 -0.00001 0.00000 40 2S 0.00001 0.00002 0.00002 -0.00006 -0.00009 41 2PX -0.00006 0.00002 0.00004 0.00001 -0.00005 42 2PY -0.00005 0.00002 -0.00008 -0.00002 -0.00001 43 2PZ -0.00003 -0.00008 0.00001 -0.00003 0.00004 44 3S 0.00000 0.00000 0.00007 -0.00026 -0.00012 45 3PX 0.00005 -0.00002 -0.00003 -0.00001 0.00031 46 3PY 0.00020 -0.00009 0.00013 0.00004 0.00002 47 3PZ 0.00009 0.00020 -0.00004 0.00013 -0.00021 48 4S 0.00003 0.00006 -0.00097 0.00340 0.00089 49 4PX -0.00135 0.00059 0.00142 0.00041 0.00042 50 4PY -0.00023 0.00010 -0.00170 -0.00049 -0.00033 51 4PZ -0.00077 -0.00174 0.00003 -0.00009 0.00155 52 5XX 0.00002 0.00004 0.00002 -0.00006 -0.00032 53 5YY 0.00000 0.00000 0.00002 -0.00007 -0.00017 54 5ZZ -0.00003 -0.00007 0.00004 -0.00013 -0.00010 55 5XY 0.00004 0.00010 -0.00001 0.00003 -0.00004 56 5XZ -0.00011 0.00005 0.00011 0.00003 0.00013 57 5YZ -0.00003 0.00001 -0.00004 -0.00001 -0.00003 58 4 Cl 1S 0.00000 0.00000 0.00000 -0.00001 0.00000 59 2S -0.00001 -0.00002 0.00002 -0.00006 -0.00009 60 2PX 0.00006 -0.00002 0.00004 0.00001 -0.00005 61 2PY 0.00005 -0.00002 -0.00008 -0.00002 -0.00001 62 2PZ -0.00003 -0.00008 -0.00001 0.00003 -0.00004 63 3S 0.00000 0.00000 0.00007 -0.00026 -0.00012 64 3PX -0.00005 0.00002 -0.00003 -0.00001 0.00031 65 3PY -0.00020 0.00009 0.00013 0.00004 0.00002 66 3PZ 0.00009 0.00020 0.00004 -0.00013 0.00021 67 4S -0.00002 -0.00005 -0.00098 0.00339 0.00088 68 4PX 0.00135 -0.00059 0.00142 0.00041 0.00042 69 4PY 0.00024 -0.00010 -0.00170 -0.00049 -0.00033 70 4PZ -0.00077 -0.00174 -0.00003 0.00010 -0.00155 71 5XX -0.00002 -0.00004 0.00002 -0.00006 -0.00032 72 5YY 0.00000 0.00000 0.00002 -0.00007 -0.00017 73 5ZZ 0.00003 0.00007 0.00004 -0.00013 -0.00010 74 5XY -0.00004 -0.00010 -0.00001 0.00003 -0.00004 75 5XZ -0.00010 0.00005 -0.00011 -0.00003 -0.00013 76 5YZ -0.00003 0.00001 0.00004 0.00001 0.00003 77 5 Cl 1S 0.00000 0.00000 -0.00005 -0.00008 0.00000 78 2S 0.00000 0.00000 0.00012 0.00026 -0.00001 79 2PX -0.00040 0.00098 0.47398 0.85628 0.00002 80 2PY -0.00017 0.00044 0.07501 0.13566 -0.00001 81 2PZ -0.35897 0.92369 -0.00055 -0.00097 0.00000 82 3S 0.00000 0.00000 -0.00015 -0.00012 -0.00002 83 3PX -0.00001 0.00003 0.01407 0.02518 -0.00008 84 3PY -0.00001 0.00001 0.00217 0.00390 0.00004 85 3PZ -0.01047 0.02681 -0.00002 -0.00003 0.00000 86 4S 0.00000 0.00000 0.00102 0.00051 0.00038 87 4PX 0.00000 -0.00001 -0.00553 -0.00891 0.00000 88 4PY 0.00000 0.00000 -0.00028 -0.00093 -0.00014 89 4PZ 0.00339 -0.00835 0.00001 0.00001 0.00000 90 5XX 0.00000 0.00000 -0.00011 -0.00010 0.00000 91 5YY 0.00000 0.00000 0.00000 0.00002 -0.00003 92 5ZZ 0.00000 0.00000 -0.00003 -0.00003 0.00001 93 5XY 0.00000 0.00000 0.00001 0.00007 -0.00002 94 5XZ 0.00003 -0.00005 0.00000 0.00000 0.00000 95 5YZ -0.00006 0.00015 0.00000 0.00000 0.00000 96 6 Cl 1S 0.00000 0.00000 0.00008 -0.00004 0.00000 97 2S 0.00000 0.00000 -0.00024 0.00016 0.00001 98 2PX -0.00070 -0.00026 0.85628 -0.47400 -0.00002 99 2PY -0.00023 -0.00009 0.13554 -0.07511 -0.00002 100 2PZ 0.92368 0.35899 0.00068 -0.00036 0.00000 101 3S 0.00000 0.00000 0.00018 -0.00002 0.00002 102 3PX -0.00002 -0.00001 0.02530 -0.01387 0.00006 103 3PY -0.00001 0.00000 0.00391 -0.00215 0.00005 104 3PZ 0.02684 0.01038 0.00002 -0.00001 0.00000 105 4S 0.00000 0.00000 -0.00114 -0.00011 -0.00018 106 4PX 0.00001 0.00000 -0.00942 0.00461 0.00015 107 4PY 0.00000 0.00000 -0.00074 0.00064 0.00025 108 4PZ -0.00845 -0.00314 -0.00001 0.00000 0.00000 109 5XX 0.00000 0.00000 0.00015 -0.00003 0.00003 110 5YY 0.00000 0.00000 -0.00001 0.00002 -0.00004 111 5ZZ 0.00000 0.00000 0.00004 -0.00001 -0.00001 112 5XY 0.00000 0.00000 -0.00004 0.00005 -0.00005 113 5XZ 0.00005 0.00001 0.00000 0.00000 0.00000 114 5YZ -0.00015 -0.00006 0.00000 0.00000 0.00000 115 7 Br 1S 0.00000 0.00000 0.00002 0.00001 -0.00013 116 2S 0.00000 0.00000 0.00006 0.00004 0.00101 117 3S 0.00000 0.00000 -0.00033 -0.00020 -0.00146 118 4S 0.00000 0.00000 0.00007 0.00003 -0.00097 119 5S 0.00000 0.00000 0.00156 0.00116 0.00191 120 6S 0.00001 -0.00001 -0.00514 -0.00419 -0.00751 121 7PX 0.00000 0.00000 0.00000 0.00001 0.09875 122 7PY 0.00000 0.00000 0.00000 0.00000 0.04957 123 7PZ 0.00000 0.00001 0.00000 0.00000 0.00000 124 8PX 0.00000 0.00000 0.00000 -0.00004 -0.24233 125 8PY 0.00000 0.00000 0.00001 0.00002 -0.12164 126 8PZ 0.00002 -0.00005 0.00000 0.00000 0.00001 127 9PX 0.00000 0.00000 0.00000 0.00026 -0.00658 128 9PY 0.00000 0.00000 -0.00010 -0.00014 -0.00326 129 9PZ -0.00011 0.00034 0.00000 0.00000 0.00000 130 10PX 0.00000 0.00000 0.00001 -0.00048 0.00257 131 10PY 0.00000 0.00000 0.00057 0.00082 0.00118 132 10PZ 0.00037 -0.00095 0.00000 0.00000 0.00000 133 11XX 0.00000 0.00000 0.00025 0.00013 0.00111 134 11YY 0.00000 0.00000 0.00025 0.00016 0.00070 135 11ZZ 0.00000 0.00000 0.00024 0.00018 0.00059 136 11XY 0.00000 0.00000 -0.00001 0.00000 0.00028 137 11XZ 0.00000 -0.00002 0.00000 0.00000 0.00000 138 11YZ 0.00001 -0.00001 0.00000 0.00000 0.00000 139 12XX 0.00000 0.00000 0.00113 0.00090 0.00172 140 12YY 0.00000 0.00000 0.00107 0.00067 0.00185 141 12ZZ 0.00000 0.00000 0.00120 0.00058 0.00183 142 12XY 0.00000 0.00000 0.00007 -0.00003 -0.00005 143 12XZ -0.00003 0.00019 0.00000 0.00000 0.00000 144 12YZ -0.00008 0.00007 0.00000 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 -0.00002 0.00000 -0.00052 146 2S 0.00000 0.00000 -0.00007 0.00000 0.00370 147 3S 0.00000 0.00000 0.00039 0.00000 -0.00501 148 4S 0.00000 0.00000 -0.00007 -0.00002 -0.00379 149 5S 0.00000 0.00000 -0.00194 0.00015 0.00464 150 6S 0.00000 0.00000 0.00658 -0.00082 -0.01959 151 7PX 0.00000 0.00000 0.00001 -0.00001 -0.37279 152 7PY 0.00000 0.00000 -0.00001 0.00000 -0.18727 153 7PZ 0.00001 0.00001 0.00000 0.00000 -0.00008 154 8PX 0.00000 0.00000 -0.00002 0.00003 0.91484 155 8PY 0.00000 0.00000 0.00002 -0.00001 0.45957 156 8PZ -0.00005 -0.00002 0.00000 0.00000 0.00019 157 9PX 0.00000 0.00000 0.00013 -0.00022 0.02454 158 9PY 0.00000 0.00000 -0.00016 0.00006 0.01220 159 9PZ 0.00032 0.00015 0.00000 0.00000 0.00001 160 10PX 0.00000 0.00000 -0.00025 0.00041 -0.00868 161 10PY 0.00000 0.00000 0.00092 -0.00039 -0.00404 162 10PZ -0.00095 -0.00037 0.00000 0.00000 0.00000 163 11XX 0.00000 0.00000 -0.00028 -0.00002 0.00383 164 11YY 0.00000 0.00000 -0.00029 0.00000 0.00230 165 11ZZ 0.00000 0.00000 -0.00029 0.00002 0.00187 166 11XY 0.00000 0.00000 0.00001 0.00001 0.00107 167 11XZ 0.00002 0.00002 0.00000 0.00000 0.00000 168 11YZ 0.00001 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 -0.00144 0.00016 0.00467 170 12YY 0.00000 0.00000 -0.00126 0.00000 0.00507 171 12ZZ 0.00000 0.00000 -0.00133 -0.00015 0.00510 172 12XY 0.00000 0.00000 -0.00005 -0.00006 -0.00021 173 12XZ -0.00016 -0.00011 0.00000 0.00000 0.00000 174 12YZ -0.00011 0.00001 0.00000 0.00000 0.00000 36 37 38 39 40 O O O O O Eigenvalues -- -6.53251 -6.52632 -6.52631 -6.52619 -6.52618 1 1 Al 1S -0.00002 0.00000 0.00000 0.00000 0.00000 2 2S 0.00005 0.00000 0.00000 0.00000 0.00005 3 2PX -0.00015 0.00000 0.00000 0.00005 0.00000 4 2PY -0.00002 0.00000 0.00000 -0.00004 -0.00003 5 2PZ 0.00000 0.00003 -0.00002 0.00000 0.00000 6 3S -0.00163 0.00000 0.00000 -0.00023 -0.00005 7 3PX -0.00025 0.00000 0.00000 -0.00065 -0.00045 8 3PY -0.00083 0.00000 0.00000 0.00054 0.00052 9 3PZ 0.00000 -0.00076 0.00019 0.00000 0.00000 10 4S -0.00731 -0.00001 0.00003 0.01816 0.01194 11 4PX -0.00108 0.00000 -0.00001 -0.00693 -0.00693 12 4PY -0.00245 0.00000 0.00001 0.00436 0.00594 13 4PZ 0.00000 -0.00097 0.00300 0.00000 0.00000 14 5XX 0.00040 0.00000 0.00000 0.00016 -0.00002 15 5YY 0.00045 0.00000 0.00000 0.00007 0.00002 16 5ZZ -0.00007 0.00000 0.00000 0.00010 0.00036 17 5XY 0.00068 0.00000 0.00000 0.00003 -0.00003 18 5XZ 0.00000 0.00025 0.00007 0.00000 0.00000 19 5YZ 0.00000 -0.00001 0.00012 0.00000 0.00000 20 2 Al 1S 0.00002 0.00000 0.00000 0.00000 0.00000 21 2S 0.00037 0.00000 0.00000 -0.00004 0.00003 22 2PX -0.00012 0.00000 0.00000 0.00003 0.00004 23 2PY 0.00000 0.00000 0.00000 -0.00005 -0.00002 24 2PZ 0.00000 -0.00002 0.00002 0.00000 0.00000 25 3S 0.00240 0.00000 0.00000 0.00015 0.00018 26 3PX 0.00150 0.00000 0.00000 -0.00070 -0.00035 27 3PY -0.00074 0.00000 0.00000 0.00071 0.00023 28 3PZ 0.00000 0.00035 -0.00070 0.00000 0.00000 29 4S 0.00372 0.00001 -0.00003 -0.01922 -0.01015 30 4PX 0.00115 0.00000 -0.00001 -0.00941 -0.00273 31 4PY 0.00042 0.00000 0.00001 0.00730 0.00095 32 4PZ 0.00000 0.00314 -0.00027 0.00000 0.00000 33 5XX 0.00040 0.00000 0.00000 -0.00006 -0.00015 34 5YY -0.00011 0.00000 0.00000 -0.00005 -0.00005 35 5ZZ 0.00017 0.00000 0.00000 -0.00036 0.00008 36 5XY -0.00023 0.00000 0.00000 0.00001 -0.00004 37 5XZ 0.00000 -0.00001 -0.00026 0.00000 0.00000 38 5YZ 0.00000 -0.00012 -0.00002 0.00000 0.00000 39 3 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00001 40 2S 0.00005 0.00000 0.00000 -0.00004 0.00007 41 2PX -0.00009 0.00002 -0.00002 -0.00002 -0.00001 42 2PY -0.00001 0.00003 -0.00003 0.00000 0.00000 43 2PZ -0.00002 -0.00002 -0.00003 -0.00001 0.00002 44 3S 0.00007 -0.00002 -0.00002 -0.00016 0.00027 45 3PX 0.00053 -0.00013 0.00010 0.00006 0.00004 46 3PY 0.00003 -0.00014 0.00011 0.00002 0.00001 47 3PZ 0.00012 0.00011 0.00014 0.00006 -0.00009 48 4S -0.00051 0.00009 0.00011 0.00181 -0.00306 49 4PX 0.00072 -0.00055 0.00043 -0.00191 -0.00113 50 4PY -0.00057 0.00083 -0.00066 0.00027 0.00016 51 4PZ -0.00090 -0.00098 -0.00123 0.00007 -0.00011 52 5XX 0.00019 0.00000 0.00000 -0.00002 0.00003 53 5YY 0.00010 0.00003 0.00003 -0.00004 0.00007 54 5ZZ 0.00006 -0.00006 -0.00007 -0.00008 0.00014 55 5XY 0.00002 0.00003 0.00003 0.00001 -0.00001 56 5XZ 0.00022 -0.00005 0.00004 -0.00011 -0.00006 57 5YZ -0.00004 0.00005 -0.00004 0.00004 0.00002 58 4 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00001 59 2S 0.00005 0.00000 0.00000 -0.00004 0.00007 60 2PX -0.00009 -0.00002 0.00002 -0.00002 -0.00001 61 2PY -0.00001 -0.00003 0.00003 0.00000 0.00000 62 2PZ 0.00002 -0.00002 -0.00003 0.00001 -0.00002 63 3S 0.00007 0.00002 0.00002 -0.00016 0.00027 64 3PX 0.00053 0.00013 -0.00010 0.00006 0.00004 65 3PY 0.00003 0.00014 -0.00011 0.00002 0.00001 66 3PZ -0.00012 0.00011 0.00014 -0.00006 0.00009 67 4S -0.00051 -0.00009 -0.00012 0.00181 -0.00306 68 4PX 0.00072 0.00055 -0.00044 -0.00191 -0.00113 69 4PY -0.00057 -0.00082 0.00066 0.00027 0.00016 70 4PZ 0.00090 -0.00098 -0.00122 -0.00007 0.00012 71 5XX 0.00019 0.00000 0.00000 -0.00002 0.00003 72 5YY 0.00010 -0.00003 -0.00003 -0.00004 0.00007 73 5ZZ 0.00006 0.00006 0.00007 -0.00008 0.00014 74 5XY 0.00002 -0.00003 -0.00003 0.00001 -0.00001 75 5XZ -0.00022 -0.00005 0.00004 0.00011 0.00006 76 5YZ 0.00004 0.00005 -0.00004 -0.00004 -0.00002 77 5 Cl 1S 0.00000 0.00000 0.00000 -0.00001 -0.00001 78 2S -0.00002 0.00000 0.00000 -0.00004 -0.00006 79 2PX -0.00001 0.00000 0.00000 0.00000 0.00005 80 2PY -0.00003 0.00000 0.00000 -0.00001 -0.00003 81 2PZ 0.00000 0.00000 -0.00006 0.00000 0.00000 82 3S -0.00004 0.00000 0.00000 -0.00014 -0.00023 83 3PX 0.00003 0.00000 0.00000 -0.00002 -0.00021 84 3PY 0.00008 0.00000 0.00000 0.00001 0.00012 85 3PZ 0.00000 -0.00001 0.00024 0.00000 0.00000 86 4S 0.00042 0.00000 0.00000 0.00064 0.00167 87 4PX 0.00018 0.00000 0.00000 0.00024 0.00094 88 4PY 0.00021 0.00000 0.00000 0.00001 -0.00006 89 4PZ 0.00000 0.00009 -0.00082 0.00000 0.00000 90 5XX -0.00004 0.00000 0.00000 -0.00006 -0.00011 91 5YY 0.00003 0.00000 0.00000 -0.00008 -0.00011 92 5ZZ 0.00001 0.00000 0.00000 -0.00012 -0.00009 93 5XY 0.00005 0.00000 0.00000 0.00000 0.00006 94 5XZ 0.00000 0.00002 0.00000 0.00000 0.00000 95 5YZ 0.00000 0.00001 -0.00005 0.00000 0.00000 96 6 Cl 1S 0.00000 0.00000 0.00000 0.00001 0.00000 97 2S 0.00001 0.00000 0.00000 0.00007 0.00000 98 2PX 0.00001 0.00000 0.00000 0.00004 -0.00002 99 2PY -0.00002 0.00000 0.00000 -0.00003 0.00001 100 2PZ 0.00000 -0.00006 -0.00001 0.00000 0.00000 101 3S 0.00004 0.00000 0.00000 0.00027 0.00001 102 3PX -0.00006 0.00000 0.00000 -0.00019 0.00008 103 3PY 0.00007 0.00000 0.00000 0.00011 -0.00005 104 3PZ 0.00000 0.00024 0.00005 0.00000 0.00000 105 4S -0.00054 0.00000 0.00000 -0.00177 0.00024 106 4PX 0.00009 0.00000 0.00000 0.00094 -0.00025 107 4PY -0.00002 0.00000 0.00000 -0.00005 0.00004 108 4PZ 0.00000 -0.00082 -0.00010 0.00000 0.00000 109 5XX 0.00002 0.00000 0.00000 0.00013 0.00000 110 5YY 0.00001 0.00000 0.00000 0.00013 0.00002 111 5ZZ -0.00002 0.00000 0.00000 0.00014 0.00006 112 5XY 0.00000 0.00000 0.00000 -0.00005 0.00003 113 5XZ 0.00000 0.00000 -0.00002 0.00000 0.00000 114 5YZ 0.00000 0.00005 0.00001 0.00000 0.00000 115 7 Br 1S 0.00053 0.00000 0.00000 -0.00001 -0.00002 116 2S -0.00368 0.00000 0.00000 0.00004 0.00014 117 3S 0.00493 0.00000 0.00000 -0.00005 -0.00020 118 4S 0.00381 0.00000 0.00000 -0.00003 -0.00014 119 5S -0.00425 0.00000 0.00000 0.00044 0.00054 120 6S 0.01827 0.00000 0.00000 -0.00137 -0.00170 121 7PX -0.37283 -0.00003 0.00028 0.04823 0.18757 122 7PY -0.18719 0.00006 -0.00058 -0.09604 -0.37363 123 7PZ 0.00001 0.04873 -0.42892 0.00017 0.00062 124 8PX 0.91494 0.00007 -0.00068 -0.11836 -0.46036 125 8PY 0.45939 -0.00016 0.00143 0.23571 0.91701 126 8PZ -0.00003 -0.11961 1.05273 -0.00042 -0.00153 127 9PX 0.02450 0.00000 -0.00002 -0.00313 -0.01195 128 9PY 0.01218 0.00000 0.00004 0.00612 0.02349 129 9PZ 0.00000 -0.00307 0.02669 -0.00001 -0.00004 130 10PX -0.00853 0.00000 0.00001 0.00151 0.00418 131 10PY -0.00397 0.00000 -0.00001 -0.00198 -0.00693 132 10PZ 0.00000 0.00091 -0.00721 0.00000 0.00001 133 11XX -0.00377 0.00000 0.00000 0.00028 0.00107 134 11YY -0.00225 0.00000 0.00000 -0.00023 -0.00084 135 11ZZ -0.00182 0.00000 0.00000 0.00002 0.00007 136 11XY -0.00107 0.00000 0.00000 -0.00022 -0.00087 137 11XZ 0.00000 0.00015 -0.00129 0.00000 0.00000 138 11YZ 0.00000 0.00007 -0.00059 0.00000 0.00000 139 12XX -0.00439 0.00000 0.00000 0.00006 -0.00005 140 12YY -0.00478 0.00000 0.00000 0.00034 0.00068 141 12ZZ -0.00483 0.00000 0.00000 0.00015 0.00033 142 12XY 0.00021 0.00000 0.00000 0.00001 0.00018 143 12XZ 0.00000 -0.00002 0.00023 0.00000 0.00000 144 12YZ 0.00000 -0.00004 0.00013 0.00000 0.00000 145 8 Br 1S -0.00015 0.00000 0.00000 0.00002 -0.00001 146 2S 0.00095 0.00000 0.00000 -0.00014 0.00004 147 3S -0.00117 0.00000 0.00000 0.00020 -0.00005 148 4S -0.00104 0.00000 0.00000 0.00014 -0.00004 149 5S 0.00044 0.00000 0.00000 -0.00069 -0.00012 150 6S -0.00252 0.00000 0.00000 0.00215 0.00038 151 7PX -0.09874 -0.00004 0.00000 0.18766 -0.04823 152 7PY -0.04961 0.00026 0.00002 -0.37359 0.09605 153 7PZ -0.00002 -0.42892 -0.04874 -0.00024 0.00007 154 8PX 0.24231 0.00010 0.00000 -0.46056 0.11838 155 8PY 0.12175 -0.00064 -0.00005 0.91690 -0.23573 156 8PZ 0.00005 1.05273 0.11962 0.00060 -0.00016 157 9PX 0.00641 0.00000 0.00000 -0.01198 0.00302 158 9PY 0.00320 -0.00002 0.00000 0.02353 -0.00596 159 9PZ 0.00000 0.02670 0.00300 0.00002 0.00000 160 10PX -0.00199 0.00000 0.00000 0.00439 -0.00070 161 10PY -0.00094 0.00000 0.00000 -0.00703 0.00161 162 10PZ 0.00000 -0.00723 -0.00073 0.00000 0.00000 163 11XX 0.00090 0.00000 0.00000 -0.00108 0.00028 164 11YY 0.00050 0.00000 0.00000 0.00085 -0.00021 165 11ZZ 0.00038 0.00000 0.00000 -0.00008 0.00001 166 11XY 0.00028 0.00000 0.00000 0.00086 -0.00023 167 11XZ 0.00000 0.00129 0.00015 0.00000 0.00000 168 11YZ 0.00000 0.00059 0.00006 0.00000 0.00000 169 12XX 0.00068 0.00000 0.00000 0.00001 -0.00007 170 12YY 0.00076 0.00000 0.00000 -0.00076 0.00003 171 12ZZ 0.00079 0.00000 0.00000 -0.00036 0.00003 172 12XY -0.00006 0.00000 0.00000 -0.00016 0.00008 173 12XZ 0.00000 -0.00023 -0.00003 0.00000 0.00000 174 12YZ 0.00000 -0.00013 0.00001 0.00000 0.00000 41 42 43 44 45 O O O O O Eigenvalues -- -4.29830 -4.29713 -2.85903 -2.85541 -2.85447 1 1 Al 1S -0.18376 -0.18452 0.00746 0.00000 0.00000 2 2S 0.71971 0.72266 -0.02785 0.00001 0.00000 3 2PX -0.01630 -0.01578 -0.61665 0.00021 -0.00008 4 2PY 0.00842 0.00814 0.31524 -0.00012 0.00002 5 2PZ 0.00000 0.00000 -0.00025 0.69463 0.69810 6 3S 0.07819 0.07638 0.03867 -0.00001 0.00001 7 3PX -0.00579 -0.00883 -0.03241 0.00001 0.00000 8 3PY 0.00273 0.00450 0.01616 -0.00001 0.00000 9 3PZ 0.00000 0.00000 -0.00001 0.03879 0.03534 10 4S -0.00661 -0.00772 -0.00293 -0.00001 0.00000 11 4PX -0.00016 0.00208 0.00395 0.00000 0.00000 12 4PY 0.00012 -0.00067 -0.00254 0.00000 0.00000 13 4PZ 0.00000 0.00000 0.00000 -0.00472 0.00040 14 5XX -0.01942 -0.01676 -0.00477 0.00000 0.00000 15 5YY -0.02072 -0.01961 -0.01051 0.00000 0.00000 16 5ZZ -0.01938 -0.01923 -0.00780 0.00000 0.00000 17 5XY -0.00110 -0.00236 -0.00514 0.00000 0.00000 18 5XZ 0.00000 0.00000 0.00000 -0.00803 -0.00504 19 5YZ 0.00000 0.00000 0.00000 0.00422 0.00268 20 2 Al 1S -0.18437 0.18391 0.00746 0.00000 0.00000 21 2S 0.72207 -0.72030 -0.02786 -0.00001 -0.00001 22 2PX 0.01635 -0.01573 0.61704 0.00034 0.00025 23 2PY -0.00845 0.00811 -0.31529 -0.00023 -0.00007 24 2PZ 0.00000 0.00000 0.00009 0.69769 -0.69505 25 3S 0.07844 -0.07612 0.03868 0.00002 0.00002 26 3PX 0.00582 -0.00882 0.03243 0.00002 0.00001 27 3PY -0.00275 0.00449 -0.01616 -0.00001 0.00000 28 3PZ 0.00000 0.00000 0.00000 0.03894 -0.03517 29 4S -0.00664 0.00770 -0.00292 0.00001 0.00000 30 4PX 0.00015 0.00207 -0.00395 0.00000 0.00000 31 4PY -0.00011 -0.00067 0.00254 0.00000 0.00000 32 4PZ 0.00000 0.00000 0.00000 -0.00472 -0.00042 33 5XX -0.01947 0.01670 -0.00477 0.00000 0.00000 34 5YY -0.02078 0.01955 -0.01051 0.00000 0.00000 35 5ZZ -0.01944 0.01916 -0.00781 -0.00001 0.00000 36 5XY -0.00111 0.00235 -0.00515 0.00000 0.00000 37 5XZ 0.00000 0.00000 0.00000 0.00805 -0.00501 38 5YZ 0.00000 0.00000 0.00000 -0.00423 0.00266 39 3 Cl 1S 0.00137 0.00000 0.00318 -0.00310 -0.00001 40 2S -0.00542 -0.00001 -0.01419 0.01384 0.00003 41 2PX 0.00001 -0.00481 0.00000 -0.00002 0.01068 42 2PY 0.00000 0.00247 0.00000 0.00001 -0.00550 43 2PZ -0.00572 -0.00001 -0.01253 0.00904 0.00002 44 3S 0.00617 0.00001 0.01579 -0.01469 -0.00003 45 3PX -0.00001 0.00543 0.00000 0.00003 -0.01664 46 3PY 0.00000 -0.00276 0.00000 -0.00001 0.00859 47 3PZ 0.00708 0.00001 0.01941 -0.01291 -0.00002 48 4S -0.01700 -0.00003 -0.02350 0.03639 0.00007 49 4PX 0.00001 -0.00583 0.00000 -0.00003 0.01661 50 4PY 0.00000 0.00276 0.00000 0.00001 -0.00851 51 4PZ -0.00684 -0.00001 -0.01444 0.01633 0.00003 52 5XX 0.00146 0.00000 0.00065 -0.00496 -0.00001 53 5YY -0.00089 0.00000 -0.00300 0.00145 0.00000 54 5ZZ 0.00249 0.00000 0.00840 -0.00337 0.00000 55 5XY -0.00188 0.00000 -0.00294 0.00522 0.00001 56 5XZ -0.00001 0.00360 0.00000 0.00002 -0.00977 57 5YZ 0.00000 -0.00186 0.00000 -0.00001 0.00504 58 4 Cl 1S 0.00137 0.00000 0.00318 0.00310 0.00001 59 2S -0.00542 -0.00001 -0.01418 -0.01385 -0.00003 60 2PX 0.00001 -0.00481 0.00001 0.00003 -0.01067 61 2PY 0.00000 0.00247 0.00000 -0.00001 0.00550 62 2PZ 0.00572 0.00001 0.01253 0.00905 0.00002 63 3S 0.00617 0.00001 0.01579 0.01469 0.00004 64 3PX -0.00001 0.00543 -0.00001 -0.00004 0.01664 65 3PY 0.00000 -0.00276 0.00000 0.00002 -0.00859 66 3PZ -0.00708 -0.00001 -0.01940 -0.01291 -0.00003 67 4S -0.01700 -0.00003 -0.02349 -0.03640 -0.00009 68 4PX 0.00001 -0.00583 0.00001 0.00004 -0.01661 69 4PY 0.00000 0.00276 0.00000 -0.00002 0.00851 70 4PZ 0.00684 0.00001 0.01443 0.01633 0.00004 71 5XX 0.00146 0.00000 0.00065 0.00496 0.00001 72 5YY -0.00089 0.00000 -0.00300 -0.00145 0.00000 73 5ZZ 0.00249 0.00000 0.00840 0.00337 0.00001 74 5XY -0.00188 0.00000 -0.00294 -0.00522 -0.00001 75 5XZ 0.00001 -0.00360 0.00001 0.00003 -0.00976 76 5YZ 0.00000 0.00186 0.00000 -0.00001 0.00504 77 5 Cl 1S 0.00001 0.00002 -0.00007 0.00000 0.00000 78 2S -0.00010 -0.00002 0.00001 0.00000 0.00000 79 2PX 0.00001 0.00002 -0.00004 0.00000 0.00000 80 2PY -0.00018 -0.00018 0.00023 0.00000 0.00000 81 2PZ 0.00000 0.00000 0.00000 -0.00003 -0.00007 82 3S -0.00029 0.00000 -0.00119 0.00000 0.00000 83 3PX 0.00004 0.00001 0.00025 0.00000 0.00000 84 3PY 0.00027 0.00032 -0.00033 0.00000 0.00000 85 3PZ 0.00000 0.00000 0.00000 -0.00004 0.00022 86 4S -0.00101 -0.00226 0.00432 0.00000 0.00000 87 4PX 0.00002 0.00024 -0.00076 0.00000 0.00000 88 4PY -0.00152 -0.00180 0.00358 0.00000 0.00000 89 4PZ 0.00000 0.00000 0.00000 -0.00059 -0.00146 90 5XX -0.00003 0.00007 -0.00042 0.00000 0.00000 91 5YY 0.00044 0.00055 0.00019 0.00000 0.00000 92 5ZZ -0.00007 0.00011 -0.00044 0.00000 0.00000 93 5XY -0.00011 -0.00005 -0.00004 0.00000 0.00000 94 5XZ 0.00000 0.00000 0.00000 -0.00001 -0.00001 95 5YZ 0.00000 0.00000 0.00000 -0.00026 -0.00028 96 6 Cl 1S 0.00001 -0.00002 -0.00007 0.00000 0.00000 97 2S -0.00010 0.00002 0.00001 0.00000 0.00000 98 2PX -0.00001 0.00002 0.00004 0.00000 0.00000 99 2PY 0.00019 -0.00018 -0.00023 0.00000 0.00000 100 2PZ 0.00000 0.00000 0.00000 -0.00003 0.00007 101 3S -0.00029 0.00000 -0.00119 0.00000 0.00000 102 3PX -0.00004 0.00001 -0.00025 0.00000 0.00000 103 3PY -0.00028 0.00031 0.00033 0.00000 0.00000 104 3PZ 0.00000 0.00000 0.00000 -0.00003 -0.00022 105 4S -0.00101 0.00226 0.00432 0.00000 0.00000 106 4PX -0.00002 0.00024 0.00076 0.00000 0.00000 107 4PY 0.00153 -0.00179 -0.00358 0.00000 0.00000 108 4PZ 0.00000 0.00000 0.00000 -0.00059 0.00146 109 5XX -0.00003 -0.00007 -0.00042 0.00000 0.00000 110 5YY 0.00044 -0.00054 0.00019 0.00000 0.00000 111 5ZZ -0.00007 -0.00011 -0.00044 0.00000 0.00000 112 5XY -0.00011 0.00005 -0.00004 0.00000 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00001 -0.00001 114 5YZ 0.00000 0.00000 0.00000 0.00027 -0.00028 115 7 Br 1S -0.00001 0.00000 0.00002 0.00000 0.00000 116 2S 0.00007 0.00011 -0.00016 0.00000 0.00000 117 3S -0.00018 -0.00038 0.00021 0.00000 0.00000 118 4S 0.00009 0.00016 0.00023 0.00000 0.00000 119 5S 0.00004 0.00177 -0.00427 0.00000 0.00000 120 6S -0.00161 -0.00648 0.00993 0.00000 0.00000 121 7PX -0.00005 -0.00006 0.00008 0.00000 0.00000 122 7PY -0.00003 -0.00003 0.00004 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00001 0.00003 124 8PX 0.00014 0.00017 -0.00025 0.00000 0.00000 125 8PY 0.00009 0.00009 -0.00010 0.00000 0.00000 126 8PZ 0.00000 0.00000 0.00000 -0.00002 -0.00008 127 9PX 0.00001 -0.00023 0.00083 0.00000 0.00000 128 9PY -0.00011 -0.00012 0.00013 0.00000 0.00000 129 9PZ 0.00000 0.00000 0.00000 -0.00001 0.00029 130 10PX 0.00101 0.00181 -0.00425 0.00000 0.00000 131 10PY 0.00076 0.00079 -0.00175 0.00000 0.00000 132 10PZ 0.00000 0.00000 0.00000 -0.00050 -0.00140 133 11XX 0.00005 0.00021 -0.00078 0.00000 0.00000 134 11YY 0.00008 0.00021 -0.00005 0.00000 0.00000 135 11ZZ 0.00009 0.00020 0.00054 0.00000 0.00000 136 11XY 0.00000 -0.00001 -0.00105 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 -0.00035 -0.00035 138 11YZ 0.00000 0.00000 0.00000 -0.00020 -0.00020 139 12XX 0.00053 0.00132 -0.00050 0.00000 0.00000 140 12YY 0.00026 0.00135 -0.00167 0.00000 0.00000 141 12ZZ 0.00021 0.00139 -0.00231 0.00000 0.00000 142 12XY 0.00006 0.00015 0.00121 0.00000 0.00000 143 12XZ 0.00000 0.00000 0.00000 0.00060 0.00066 144 12YZ 0.00000 0.00000 0.00000 0.00051 0.00053 145 8 Br 1S -0.00001 0.00000 0.00002 0.00000 0.00000 146 2S 0.00007 -0.00011 -0.00016 0.00000 0.00000 147 3S -0.00018 0.00038 0.00021 0.00000 0.00000 148 4S 0.00009 -0.00016 0.00023 0.00000 0.00000 149 5S 0.00004 -0.00177 -0.00427 0.00000 0.00000 150 6S -0.00163 0.00647 0.00993 0.00000 0.00000 151 7PX 0.00005 -0.00006 -0.00008 0.00000 0.00000 152 7PY 0.00003 -0.00003 -0.00004 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00001 -0.00003 154 8PX -0.00014 0.00017 0.00025 0.00000 0.00000 155 8PY -0.00009 0.00009 0.00010 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 -0.00002 0.00008 157 9PX -0.00001 -0.00023 -0.00083 0.00000 0.00000 158 9PY 0.00011 -0.00012 -0.00013 0.00000 0.00000 159 9PZ 0.00000 0.00000 0.00000 -0.00001 -0.00029 160 10PX -0.00102 0.00181 0.00425 0.00000 0.00000 161 10PY -0.00076 0.00079 0.00176 0.00000 0.00000 162 10PZ 0.00000 0.00000 0.00000 -0.00050 0.00140 163 11XX 0.00005 -0.00021 -0.00078 0.00000 0.00000 164 11YY 0.00008 -0.00021 -0.00005 0.00000 0.00000 165 11ZZ 0.00009 -0.00020 0.00054 0.00000 0.00000 166 11XY 0.00000 0.00001 -0.00105 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00035 -0.00035 168 11YZ 0.00000 0.00000 0.00000 0.00020 -0.00020 169 12XX 0.00053 -0.00132 -0.00050 0.00000 0.00000 170 12YY 0.00027 -0.00135 -0.00167 0.00000 0.00000 171 12ZZ 0.00021 -0.00139 -0.00231 0.00000 0.00000 172 12XY 0.00006 -0.00015 0.00121 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 -0.00060 0.00066 174 12YZ 0.00000 0.00000 0.00000 -0.00051 0.00052 46 47 48 49 50 O O O O O Eigenvalues -- -2.85116 -2.83439 -2.83370 -2.64890 -2.64889 1 1 Al 1S -0.00630 0.00003 0.00002 0.00001 0.00011 2 2S 0.02385 -0.00013 -0.00004 0.00011 -0.00055 3 2PX 0.62156 0.31726 0.31957 0.00006 -0.00337 4 2PY -0.31688 0.62234 0.62509 -0.00002 -0.00197 5 2PZ -0.00041 0.00001 0.00002 0.00000 0.00000 6 3S -0.03111 -0.00012 0.00009 0.00064 -0.00216 7 3PX 0.03979 0.01325 0.01321 -0.00059 -0.00234 8 3PY -0.02015 0.02630 0.02646 0.00001 -0.00122 9 3PZ -0.00002 0.00000 0.00000 0.00000 0.00000 10 4S -0.01845 -0.00044 0.00009 0.00352 -0.00502 11 4PX 0.00294 0.00098 -0.00409 -0.00135 0.00179 12 4PY -0.00195 0.00080 -0.00743 0.00055 -0.00090 13 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 14 5XX -0.00133 -0.00146 -0.00255 0.00015 0.00016 15 5YY 0.00888 0.00157 0.00275 -0.00006 0.00037 16 5ZZ 0.01021 -0.00002 0.00005 0.00006 0.00044 17 5XY 0.00863 -0.00120 -0.00205 0.00008 -0.00027 18 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 19 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 20 2 Al 1S 0.00630 -0.00003 0.00002 0.00011 0.00000 21 2S -0.02384 0.00013 -0.00004 -0.00055 0.00012 22 2PX 0.62130 0.31856 -0.31800 0.00337 -0.00013 23 2PY -0.31656 0.62519 -0.62238 0.00197 -0.00002 24 2PZ -0.00024 0.00005 -0.00005 0.00000 0.00000 25 3S 0.03109 0.00013 0.00009 -0.00215 0.00069 26 3PX 0.03977 0.01331 -0.01315 0.00236 0.00054 27 3PY -0.02013 0.02642 -0.02634 0.00122 -0.00004 28 3PZ -0.00001 0.00000 0.00000 0.00000 0.00000 29 4S 0.01845 0.00045 0.00007 -0.00495 0.00363 30 4PX 0.00294 0.00097 0.00409 -0.00176 0.00139 31 4PY -0.00196 0.00077 0.00744 0.00089 -0.00057 32 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 33 5XX 0.00133 0.00147 -0.00254 0.00016 0.00014 34 5YY -0.00888 -0.00158 0.00274 0.00037 -0.00007 35 5ZZ -0.01021 0.00002 0.00005 0.00044 0.00005 36 5XY -0.00863 0.00121 -0.00205 -0.00026 0.00008 37 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 38 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 39 3 Cl 1S 0.00000 0.00000 0.00001 0.00001 0.00001 40 2S 0.00000 0.00000 0.00000 -0.00003 -0.00003 41 2PX 0.00743 -0.00156 0.00000 0.00005 -0.00005 42 2PY -0.00383 -0.00299 -0.00001 0.00001 -0.00001 43 2PZ 0.00000 0.00000 -0.00003 -0.00003 -0.00003 44 3S 0.00000 0.00000 0.00014 -0.00003 -0.00003 45 3PX -0.01059 0.00274 0.00001 -0.00017 0.00017 46 3PY 0.00547 0.00529 0.00001 -0.00011 0.00011 47 3PZ 0.00000 0.00000 0.00005 0.00003 0.00003 48 4S -0.00001 -0.00001 -0.00082 -0.00006 -0.00006 49 4PX 0.00541 -0.00497 -0.00001 -0.00043 0.00044 50 4PY -0.00261 -0.00958 -0.00002 0.00035 -0.00035 51 4PZ 0.00000 0.00000 -0.00028 -0.00045 -0.00044 52 5XX 0.00000 0.00000 0.00180 0.00015 0.00015 53 5YY 0.00000 0.00000 -0.00176 0.00000 0.00000 54 5ZZ 0.00000 0.00000 0.00007 -0.00002 -0.00002 55 5XY 0.00000 0.00000 0.00146 0.00004 0.00004 56 5XZ -0.00809 0.00140 0.00000 -0.00008 0.00008 57 5YZ 0.00422 0.00266 0.00001 0.00001 -0.00001 58 4 Cl 1S 0.00000 0.00000 0.00001 0.00001 0.00001 59 2S 0.00001 0.00000 0.00000 -0.00003 -0.00003 60 2PX 0.00743 -0.00156 0.00000 0.00005 -0.00005 61 2PY -0.00383 -0.00299 -0.00001 0.00001 -0.00001 62 2PZ -0.00001 0.00000 0.00003 0.00003 0.00003 63 3S -0.00001 0.00000 0.00014 -0.00003 -0.00003 64 3PX -0.01059 0.00274 0.00001 -0.00017 0.00017 65 3PY 0.00547 0.00529 0.00001 -0.00011 0.00011 66 3PZ 0.00001 0.00000 -0.00005 -0.00003 -0.00003 67 4S 0.00002 -0.00001 -0.00082 -0.00006 -0.00006 68 4PX 0.00541 -0.00497 -0.00001 -0.00043 0.00044 69 4PY -0.00261 -0.00958 -0.00002 0.00035 -0.00035 70 4PZ -0.00001 0.00000 0.00028 0.00045 0.00044 71 5XX 0.00000 0.00000 0.00180 0.00015 0.00015 72 5YY 0.00000 0.00000 -0.00175 0.00000 0.00000 73 5ZZ 0.00000 0.00000 0.00007 -0.00002 -0.00002 74 5XY 0.00000 0.00000 0.00146 0.00004 0.00004 75 5XZ 0.00809 -0.00140 0.00000 0.00008 -0.00008 76 5YZ -0.00423 -0.00266 -0.00001 -0.00001 0.00001 77 5 Cl 1S 0.00005 -0.00009 -0.00009 0.00000 0.00000 78 2S -0.00019 0.00022 0.00030 0.00000 -0.00002 79 2PX -0.00007 -0.00010 -0.00010 0.00000 -0.00002 80 2PY -0.00019 0.00035 0.00046 0.00000 -0.00001 81 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 3S 0.00050 -0.00092 -0.00054 0.00000 -0.00004 83 3PX 0.00034 0.00022 0.00025 0.00000 0.00011 84 3PY 0.00003 -0.00028 -0.00078 -0.00002 0.00003 85 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 86 4S -0.00140 0.00535 0.00208 -0.00010 0.00045 87 4PX -0.00152 -0.00157 -0.00140 0.00007 -0.00022 88 4PY -0.00242 0.00304 0.00352 -0.00002 0.00012 89 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 5XX 0.00017 -0.00009 0.00001 0.00000 -0.00004 91 5YY -0.00046 -0.00034 -0.00035 0.00000 -0.00002 92 5ZZ 0.00008 -0.00016 -0.00012 -0.00001 -0.00002 93 5XY -0.00014 -0.00020 -0.00027 0.00001 0.00004 94 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 6 Cl 1S -0.00005 0.00009 -0.00009 0.00000 0.00000 97 2S 0.00019 -0.00022 0.00030 -0.00002 0.00000 98 2PX -0.00007 -0.00010 0.00010 0.00002 0.00000 99 2PY -0.00019 0.00036 -0.00046 0.00001 0.00000 100 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 3S -0.00050 0.00093 -0.00054 -0.00004 0.00000 102 3PX 0.00034 0.00022 -0.00025 -0.00011 0.00000 103 3PY 0.00003 -0.00028 0.00078 -0.00003 0.00002 104 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4S 0.00140 -0.00537 0.00206 0.00044 -0.00011 106 4PX -0.00152 -0.00158 0.00139 0.00022 -0.00007 107 4PY -0.00242 0.00306 -0.00351 -0.00012 0.00002 108 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 109 5XX -0.00017 0.00009 0.00001 -0.00004 0.00000 110 5YY 0.00046 0.00035 -0.00035 -0.00002 0.00000 111 5ZZ -0.00008 0.00016 -0.00012 -0.00002 -0.00001 112 5XY 0.00014 0.00020 -0.00027 0.00004 0.00001 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 7 Br 1S -0.00004 -0.00003 -0.00003 0.00000 -0.00026 116 2S 0.00009 0.00027 0.00025 0.00001 0.00163 117 3S 0.00016 -0.00048 -0.00036 0.00001 -0.00186 118 4S -0.00042 -0.00023 -0.00026 -0.00004 -0.00271 119 5S 0.00041 0.00338 0.00152 -0.00016 -0.00191 120 6S 0.00073 -0.01027 -0.00382 0.00052 0.00851 121 7PX -0.00004 -0.00012 -0.00015 -0.00001 -0.00070 122 7PY -0.00006 -0.00004 -0.00005 0.00000 -0.00037 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00009 0.00034 0.00042 0.00001 0.00183 125 8PY 0.00017 0.00012 0.00016 0.00001 0.00097 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX 0.00017 -0.00035 -0.00076 0.00003 0.00001 128 9PY -0.00042 0.00007 -0.00006 0.00001 -0.00011 129 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 10PX 0.00117 0.00363 0.00366 -0.00005 -0.00323 131 10PY 0.00275 0.00079 0.00075 -0.00006 -0.00137 132 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 11XX 0.00052 0.00170 0.00164 0.00759 0.69772 134 11YY -0.00015 -0.00029 -0.00040 -0.00210 -0.19087 135 11ZZ -0.00078 -0.00068 -0.00077 -0.00552 -0.50442 136 11XY 0.00111 0.00113 0.00112 0.00741 0.68704 137 11XZ 0.00000 0.00000 0.00000 0.00000 -0.00004 138 11YZ 0.00000 0.00000 0.00000 0.00000 -0.00005 139 12XX -0.00103 0.00064 -0.00047 0.00005 0.01472 140 12YY -0.00101 0.00206 0.00147 -0.00018 -0.00613 141 12ZZ -0.00015 0.00189 0.00118 -0.00028 -0.01341 142 12XY -0.00142 0.00000 0.00013 0.00015 0.01606 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00004 0.00003 -0.00003 -0.00026 0.00000 146 2S -0.00009 -0.00027 0.00025 0.00163 -0.00002 147 3S -0.00016 0.00048 -0.00036 -0.00186 0.00005 148 4S 0.00042 0.00023 -0.00026 -0.00271 0.00002 149 5S -0.00040 -0.00338 0.00150 -0.00191 -0.00012 150 6S -0.00074 0.01030 -0.00377 0.00852 0.00034 151 7PX -0.00004 -0.00012 0.00014 0.00070 -0.00001 152 7PY -0.00006 -0.00004 0.00005 0.00037 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00009 0.00034 -0.00042 -0.00183 0.00003 155 8PY 0.00017 0.00012 -0.00015 -0.00097 0.00001 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00017 -0.00035 0.00076 -0.00002 -0.00003 158 9PY -0.00042 0.00007 0.00006 0.00011 -0.00001 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX 0.00116 0.00365 -0.00365 0.00323 -0.00002 161 10PY 0.00275 0.00079 -0.00075 0.00137 0.00003 162 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 11XX -0.00052 -0.00170 0.00163 0.69747 -0.00755 164 11YY 0.00015 0.00030 -0.00040 -0.19064 0.00204 165 11ZZ 0.00077 0.00069 -0.00077 -0.50442 0.00542 166 11XY -0.00111 -0.00113 0.00111 0.68725 -0.00750 167 11XZ 0.00000 0.00000 0.00000 0.00027 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00014 0.00000 169 12XX 0.00103 -0.00064 -0.00047 0.01471 -0.00027 170 12YY 0.00101 -0.00207 0.00146 -0.00613 -0.00005 171 12ZZ 0.00016 -0.00190 0.00117 -0.01341 0.00001 172 12XY 0.00142 0.00000 0.00013 0.01606 -0.00019 173 12XZ 0.00000 0.00000 0.00000 0.00001 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 51 52 53 54 55 O O O O O Eigenvalues -- -2.64717 -2.64717 -2.64706 -2.64705 -2.64209 1 1 Al 1S 0.00000 0.00000 0.00000 -0.00001 0.00000 2 2S 0.00000 0.00000 -0.00006 -0.00003 -0.00005 3 2PX 0.00000 0.00000 0.00008 0.00028 -0.00001 4 2PY 0.00000 0.00000 -0.00001 -0.00039 0.00001 5 2PZ -0.00001 0.00050 0.00000 0.00000 0.00000 6 3S 0.00000 0.00000 -0.00046 -0.00002 -0.00037 7 3PX 0.00000 0.00000 -0.00035 0.00090 0.00001 8 3PY 0.00000 0.00000 0.00011 -0.00106 -0.00008 9 3PZ 0.00043 0.00106 0.00000 0.00000 0.00000 10 4S 0.00000 0.00001 0.00485 -0.00602 0.00676 11 4PX 0.00000 -0.00001 -0.00162 0.00357 -0.00355 12 4PY 0.00000 0.00000 0.00048 -0.00346 0.00031 13 4PZ 0.00026 0.00158 0.00000 0.00000 0.00000 14 5XX 0.00000 0.00000 0.00030 0.00020 -0.00010 15 5YY 0.00000 0.00000 0.00001 -0.00037 0.00001 16 5ZZ 0.00000 0.00000 -0.00004 -0.00034 0.00002 17 5XY 0.00000 0.00000 -0.00001 -0.00008 0.00000 18 5XZ -0.00014 0.00022 0.00000 0.00000 0.00000 19 5YZ -0.00001 0.00048 0.00000 0.00000 0.00000 20 2 Al 1S 0.00000 0.00000 -0.00001 0.00000 0.00000 21 2S 0.00000 0.00000 -0.00003 -0.00006 -0.00004 22 2PX 0.00000 0.00000 -0.00028 -0.00007 0.00004 23 2PY 0.00000 0.00000 0.00040 0.00000 0.00004 24 2PZ -0.00050 0.00003 0.00000 0.00000 0.00000 25 3S 0.00000 0.00000 -0.00004 -0.00045 -0.00018 26 3PX 0.00000 0.00000 -0.00088 0.00039 -0.00023 27 3PY 0.00000 0.00000 0.00105 -0.00016 -0.00004 28 3PZ -0.00108 -0.00039 0.00000 0.00000 0.00000 29 4S 0.00000 -0.00001 -0.00580 0.00511 -0.00677 30 4PX 0.00000 0.00000 -0.00350 0.00177 -0.00216 31 4PY 0.00000 0.00000 0.00343 -0.00063 0.00207 32 4PZ -0.00159 -0.00020 0.00000 0.00000 0.00000 33 5XX 0.00000 0.00000 0.00021 0.00029 0.00004 34 5YY 0.00000 0.00000 -0.00037 0.00003 0.00011 35 5ZZ 0.00000 0.00000 -0.00034 -0.00002 -0.00017 36 5XY 0.00000 0.00000 -0.00008 0.00000 -0.00012 37 5XZ 0.00021 -0.00015 0.00000 0.00000 0.00000 38 5YZ 0.00048 -0.00002 0.00000 0.00000 0.00000 39 3 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 40 2S -0.00001 0.00001 -0.00003 -0.00003 0.00000 41 2PX -0.00006 -0.00005 0.00004 -0.00004 0.00000 42 2PY -0.00003 -0.00002 0.00001 -0.00001 0.00000 43 2PZ 0.00002 -0.00002 -0.00001 -0.00001 0.00001 44 3S 0.00001 -0.00001 -0.00018 -0.00017 0.00001 45 3PX 0.00030 0.00029 -0.00022 0.00023 0.00002 46 3PY 0.00012 0.00011 -0.00001 0.00001 -0.00003 47 3PZ -0.00014 0.00014 0.00008 0.00007 -0.00003 48 4S -0.00035 0.00037 0.00191 0.00183 0.00005 49 4PX 0.00030 0.00028 -0.00030 0.00031 -0.00055 50 4PY -0.00050 -0.00048 -0.00005 0.00005 0.00050 51 4PZ 0.00060 -0.00062 0.00020 0.00019 0.00017 52 5XX -0.00017 0.00018 0.00010 0.00010 0.00004 53 5YY 0.00000 0.00000 -0.00003 -0.00003 0.00001 54 5ZZ 0.00002 -0.00002 -0.00007 -0.00007 0.00001 55 5XY -0.00003 0.00003 0.00004 0.00004 -0.00003 56 5XZ 0.00007 0.00007 -0.00009 0.00009 0.00000 57 5YZ 0.00000 0.00000 -0.00001 0.00001 0.00002 58 4 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 59 2S 0.00001 -0.00001 -0.00003 -0.00003 0.00000 60 2PX 0.00006 0.00005 0.00004 -0.00004 0.00000 61 2PY 0.00003 0.00002 0.00001 -0.00001 0.00000 62 2PZ 0.00002 -0.00002 0.00001 0.00001 -0.00001 63 3S -0.00001 0.00001 -0.00018 -0.00017 0.00001 64 3PX -0.00030 -0.00029 -0.00022 0.00023 0.00002 65 3PY -0.00012 -0.00011 -0.00001 0.00001 -0.00003 66 3PZ -0.00014 0.00014 -0.00008 -0.00007 0.00003 67 4S 0.00036 -0.00037 0.00191 0.00182 0.00006 68 4PX -0.00030 -0.00029 -0.00030 0.00031 -0.00056 69 4PY 0.00050 0.00048 -0.00005 0.00005 0.00050 70 4PZ 0.00060 -0.00062 -0.00020 -0.00019 -0.00017 71 5XX 0.00017 -0.00018 0.00010 0.00009 0.00004 72 5YY 0.00000 0.00000 -0.00003 -0.00003 0.00001 73 5ZZ -0.00002 0.00002 -0.00007 -0.00007 0.00001 74 5XY 0.00003 -0.00003 0.00004 0.00004 -0.00003 75 5XZ 0.00007 0.00007 0.00009 -0.00009 0.00000 76 5YZ 0.00000 0.00000 0.00001 -0.00001 -0.00002 77 5 Cl 1S 0.00000 0.00000 0.00000 0.00001 0.00000 78 2S 0.00000 0.00000 -0.00001 0.00007 0.00004 79 2PX 0.00000 0.00000 -0.00001 -0.00001 0.00002 80 2PY 0.00000 0.00000 0.00000 0.00002 0.00000 81 2PZ 0.00000 -0.00003 0.00000 0.00000 0.00000 82 3S 0.00000 0.00000 -0.00005 0.00023 0.00017 83 3PX 0.00000 0.00000 0.00007 0.00008 -0.00012 84 3PY 0.00000 0.00000 -0.00001 -0.00006 0.00001 85 3PZ -0.00002 0.00014 0.00000 0.00000 0.00000 86 4S 0.00000 0.00000 0.00008 -0.00158 -0.00102 87 4PX 0.00000 0.00000 -0.00015 -0.00047 0.00052 88 4PY 0.00000 0.00000 0.00008 -0.00025 -0.00028 89 4PZ 0.00003 -0.00049 0.00000 0.00000 0.00000 90 5XX 0.00000 0.00000 -0.00001 0.00012 0.00007 91 5YY 0.00000 0.00000 -0.00001 0.00008 0.00005 92 5ZZ 0.00000 0.00000 -0.00003 0.00012 0.00006 93 5XY 0.00000 0.00000 -0.00001 -0.00005 0.00002 94 5XZ -0.00001 0.00000 0.00000 0.00000 0.00000 95 5YZ 0.00000 -0.00003 0.00000 0.00000 0.00000 96 6 Cl 1S 0.00000 0.00000 0.00001 0.00000 0.00000 97 2S 0.00000 0.00000 0.00007 -0.00001 0.00000 98 2PX 0.00000 0.00000 0.00001 0.00001 0.00000 99 2PY 0.00000 0.00000 -0.00002 0.00000 -0.00002 100 2PZ 0.00003 -0.00001 0.00000 0.00000 0.00000 101 3S 0.00000 0.00000 0.00023 -0.00006 -0.00003 102 3PX 0.00000 0.00000 -0.00008 -0.00006 0.00000 103 3PY 0.00000 0.00000 0.00006 0.00001 0.00008 104 3PZ -0.00014 0.00003 0.00000 0.00000 0.00000 105 4S 0.00000 0.00000 -0.00157 0.00014 0.00007 106 4PX 0.00000 0.00000 0.00048 0.00013 0.00012 107 4PY 0.00000 0.00000 0.00025 -0.00009 -0.00024 108 4PZ 0.00048 -0.00005 0.00000 0.00000 0.00000 109 5XX 0.00000 0.00000 0.00012 -0.00002 -0.00001 110 5YY 0.00000 0.00000 0.00008 -0.00001 -0.00001 111 5ZZ 0.00000 0.00000 0.00012 -0.00004 -0.00001 112 5XY 0.00000 0.00000 -0.00005 0.00000 -0.00001 113 5XZ 0.00000 -0.00001 0.00000 0.00000 0.00000 114 5YZ -0.00003 0.00000 0.00000 0.00000 0.00000 115 7 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00000 0.00000 0.00000 0.00000 -0.00002 117 3S 0.00000 0.00000 0.00002 0.00003 0.00007 118 4S 0.00000 0.00000 -0.00001 -0.00005 -0.00003 119 5S 0.00000 0.00000 -0.00011 -0.00030 -0.00048 120 6S 0.00000 0.00000 0.00034 0.00100 0.00153 121 7PX 0.00000 0.00000 -0.00001 -0.00031 0.00000 122 7PY 0.00000 0.00000 0.00001 0.00056 0.00000 123 7PZ -0.00001 -0.00065 0.00000 0.00000 0.00000 124 8PX 0.00000 0.00000 0.00001 0.00082 0.00000 125 8PY 0.00000 0.00000 -0.00003 -0.00146 -0.00001 126 8PZ 0.00003 0.00171 0.00000 0.00000 0.00000 127 9PX 0.00000 0.00000 0.00001 -0.00002 -0.00002 128 9PY 0.00000 0.00000 0.00001 0.00008 0.00007 129 9PZ 0.00000 -0.00028 0.00000 0.00000 0.00000 130 10PX 0.00000 0.00000 -0.00003 -0.00097 0.00007 131 10PY 0.00000 0.00000 -0.00001 0.00125 -0.00021 132 10PZ -0.00005 -0.00098 0.00000 0.00000 0.00000 133 11XX -0.00002 -0.00093 0.01499 0.69078 0.00419 134 11YY 0.00002 0.00098 -0.01498 -0.68985 0.01727 135 11ZZ 0.00000 -0.00006 -0.00005 -0.00099 -0.02160 136 11XY 0.00002 0.00086 -0.01302 -0.59595 -0.01016 137 11XZ 0.01741 0.88946 0.00003 0.00124 -0.00006 138 11YZ 0.00876 0.44665 0.00002 0.00066 0.00012 139 12XX 0.00000 -0.00002 0.00025 0.01518 -0.00025 140 12YY 0.00000 0.00002 -0.00042 -0.01554 0.00008 141 12ZZ 0.00000 0.00000 -0.00011 -0.00023 -0.00079 142 12XY 0.00000 0.00002 -0.00031 -0.01323 -0.00022 143 12XZ 0.00038 0.01972 0.00000 0.00003 0.00000 144 12YZ 0.00020 0.00988 0.00000 0.00001 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 146 2S 0.00000 0.00000 0.00000 0.00000 0.00004 147 3S 0.00000 0.00000 0.00003 0.00002 -0.00003 148 4S 0.00000 0.00000 -0.00006 -0.00001 -0.00009 149 5S 0.00000 0.00000 -0.00030 -0.00010 -0.00045 150 6S 0.00000 0.00000 0.00101 0.00030 0.00148 151 7PX 0.00000 0.00000 0.00031 -0.00001 -0.00001 152 7PY 0.00000 0.00000 -0.00056 0.00001 0.00003 153 7PZ 0.00065 -0.00001 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 -0.00082 0.00002 0.00002 155 8PY 0.00000 0.00000 0.00146 -0.00003 -0.00008 156 8PZ -0.00171 0.00004 0.00000 0.00000 0.00000 157 9PX 0.00000 0.00000 0.00001 -0.00001 -0.00008 158 9PY 0.00000 0.00000 -0.00008 -0.00001 0.00008 159 9PZ 0.00028 -0.00002 0.00000 0.00000 0.00000 160 10PX 0.00000 0.00000 0.00097 -0.00001 0.00041 161 10PY 0.00000 0.00000 -0.00125 0.00007 -0.00007 162 10PZ 0.00098 0.00001 0.00000 0.00000 0.00000 163 11XX 0.00023 -0.00001 0.69099 -0.01508 -0.16632 164 11YY -0.00054 0.00001 -0.69006 0.01505 -0.69122 165 11ZZ 0.00031 -0.00001 -0.00098 -0.00001 0.85756 166 11XY -0.00055 0.00001 -0.59562 0.01291 0.40430 167 11XZ 0.88936 -0.01742 -0.00053 0.00001 -0.00259 168 11YZ 0.44684 -0.00873 -0.00047 0.00001 0.00476 169 12XX 0.00001 0.00000 0.01518 -0.00041 -0.00374 170 12YY -0.00001 0.00000 -0.01555 0.00026 -0.01496 171 12ZZ 0.00001 0.00000 -0.00023 -0.00010 0.01800 172 12XY -0.00001 0.00000 -0.01322 0.00027 0.00862 173 12XZ 0.01972 -0.00039 -0.00001 0.00000 -0.00006 174 12YZ 0.00989 -0.00018 -0.00001 0.00000 0.00010 56 57 58 59 60 O O O O O Eigenvalues -- -2.64209 -2.64208 -2.64208 -1.18461 -1.02854 1 1 Al 1S 0.00000 0.00000 0.00000 0.03313 0.00000 2 2S 0.00000 -0.00004 0.00000 -0.15048 0.00001 3 2PX 0.00000 -0.00004 0.00000 0.12924 -0.00001 4 2PY 0.00000 -0.00004 0.00000 -0.06608 0.00001 5 2PZ 0.00000 0.00000 -0.00004 0.00000 -0.12811 6 3S 0.00000 -0.00020 0.00000 0.28846 0.00000 7 3PX 0.00000 0.00023 0.00000 -0.13809 0.00000 8 3PY 0.00000 0.00003 0.00000 0.06897 -0.00001 9 3PZ -0.00008 0.00000 0.00070 0.00001 0.15250 10 4S -0.00004 -0.00643 -0.00002 -0.02634 0.00000 11 4PX 0.00002 0.00198 0.00001 0.01164 0.00000 12 4PY 0.00000 -0.00206 -0.00001 -0.00758 0.00000 13 4PZ 0.00063 0.00000 0.00052 0.00000 -0.01974 14 5XX 0.00000 0.00004 0.00000 -0.00062 -0.00001 15 5YY 0.00000 0.00011 0.00000 -0.03755 0.00000 16 5ZZ 0.00000 -0.00016 0.00000 -0.01706 0.00001 17 5XY 0.00000 -0.00012 0.00000 -0.03167 0.00000 18 5XZ 0.00009 0.00000 0.00001 0.00000 -0.05987 19 5YZ 0.00002 0.00000 -0.00004 0.00000 0.03087 20 2 Al 1S 0.00000 0.00000 0.00000 0.03313 0.00000 21 2S 0.00000 -0.00005 0.00000 -0.15049 -0.00001 22 2PX 0.00000 0.00001 0.00000 -0.12926 -0.00001 23 2PY 0.00000 0.00000 0.00000 0.06606 0.00001 24 2PZ 0.00004 0.00000 0.00000 0.00001 -0.12811 25 3S 0.00000 -0.00038 0.00000 0.28847 0.00002 26 3PX 0.00000 -0.00002 0.00000 0.13811 0.00001 27 3PY 0.00000 0.00008 0.00000 -0.06893 -0.00002 28 3PZ -0.00069 0.00000 0.00011 -0.00002 0.15250 29 4S 0.00004 0.00643 0.00002 -0.02636 0.00000 30 4PX 0.00001 0.00345 0.00001 -0.01164 0.00000 31 4PY -0.00001 -0.00020 0.00000 0.00759 0.00000 32 4PZ -0.00055 0.00000 -0.00060 0.00000 -0.01974 33 5XX 0.00000 -0.00009 0.00000 -0.00061 0.00000 34 5YY 0.00000 0.00002 0.00000 -0.03756 0.00000 35 5ZZ 0.00000 0.00002 0.00000 -0.01706 -0.00001 36 5XY 0.00000 0.00000 0.00000 -0.03166 -0.00001 37 5XZ 0.00002 0.00000 0.00009 -0.00001 0.05988 38 5YZ -0.00004 0.00000 0.00002 0.00000 -0.03086 39 3 Cl 1S 0.00000 0.00000 0.00000 0.05302 -0.06250 40 2S 0.00004 0.00000 -0.00004 -0.24139 0.28403 41 2PX 0.00003 0.00000 0.00003 0.00000 0.00000 42 2PY 0.00001 0.00000 0.00001 0.00001 -0.00001 43 2PZ 0.00000 0.00001 0.00000 -0.07225 0.02625 44 3S 0.00016 0.00001 -0.00017 0.43714 -0.53826 45 3PX -0.00016 -0.00002 -0.00016 0.00000 0.00000 46 3PY -0.00003 0.00003 -0.00003 -0.00002 0.00002 47 3PZ 0.00000 -0.00003 0.00000 0.15298 -0.05513 48 4S -0.00105 0.00006 0.00110 -0.02748 -0.05480 49 4PX 0.00072 0.00053 0.00069 0.00000 0.00000 50 4PY -0.00011 -0.00047 -0.00010 0.00001 -0.00001 51 4PZ -0.00050 0.00018 0.00052 -0.06368 0.04858 52 5XX 0.00005 0.00005 -0.00005 -0.00141 -0.01263 53 5YY 0.00007 0.00001 -0.00008 -0.01305 0.00295 54 5ZZ 0.00002 0.00001 -0.00002 0.03516 -0.00819 55 5XY 0.00004 -0.00003 -0.00005 -0.00944 0.01271 56 5XZ 0.00003 0.00000 0.00003 0.00000 0.00000 57 5YZ 0.00000 -0.00002 0.00000 -0.00001 0.00001 58 4 Cl 1S 0.00000 0.00000 0.00000 0.05301 0.06251 59 2S -0.00004 0.00000 0.00004 -0.24137 -0.28404 60 2PX -0.00003 0.00000 -0.00003 0.00001 0.00001 61 2PY -0.00001 0.00000 -0.00001 0.00000 0.00000 62 2PZ 0.00000 -0.00001 0.00000 0.07225 0.02626 63 3S -0.00016 0.00001 0.00017 0.43711 0.53828 64 3PX 0.00016 -0.00002 0.00016 -0.00001 -0.00001 65 3PY 0.00003 0.00003 0.00003 0.00000 0.00000 66 3PZ 0.00000 0.00003 0.00000 -0.15297 -0.05514 67 4S 0.00105 0.00006 -0.00110 -0.02748 0.05479 68 4PX -0.00071 0.00053 -0.00068 0.00000 0.00001 69 4PY 0.00011 -0.00047 0.00010 0.00000 0.00000 70 4PZ -0.00049 -0.00018 0.00052 0.06368 0.04858 71 5XX -0.00005 0.00005 0.00005 -0.00141 0.01263 72 5YY -0.00007 0.00001 0.00008 -0.01305 -0.00295 73 5ZZ -0.00002 0.00001 0.00002 0.03515 0.00819 74 5XY -0.00004 -0.00003 0.00005 -0.00944 -0.01271 75 5XZ 0.00003 0.00000 0.00003 0.00000 0.00000 76 5YZ 0.00000 0.00002 0.00000 0.00000 0.00000 77 5 Cl 1S 0.00000 0.00000 0.00000 0.00113 0.00000 78 2S 0.00000 0.00000 0.00000 -0.00605 -0.00001 79 2PX 0.00000 0.00000 0.00000 0.00070 0.00000 80 2PY 0.00000 0.00002 0.00000 -0.00245 0.00000 81 2PZ -0.00001 0.00000 0.00000 0.00000 -0.00103 82 3S 0.00000 -0.00002 0.00000 0.00662 0.00001 83 3PX 0.00000 -0.00001 0.00000 -0.00083 0.00000 84 3PY 0.00000 -0.00008 0.00000 0.00511 0.00000 85 3PZ 0.00005 0.00000 0.00001 0.00000 0.00202 86 4S 0.00001 0.00001 0.00000 0.01502 0.00000 87 4PX 0.00000 -0.00010 0.00000 -0.00196 0.00000 88 4PY 0.00000 0.00023 0.00000 0.00781 0.00000 89 4PZ -0.00016 0.00000 -0.00010 0.00000 -0.00114 90 5XX 0.00000 -0.00001 0.00000 -0.00149 0.00000 91 5YY 0.00000 0.00000 0.00000 0.00191 0.00000 92 5ZZ 0.00000 0.00000 0.00000 -0.00169 0.00000 93 5XY 0.00000 -0.00001 0.00000 -0.00065 0.00000 94 5XZ 0.00000 0.00000 0.00000 0.00000 -0.00029 95 5YZ -0.00001 0.00000 -0.00002 0.00000 0.00014 96 6 Cl 1S 0.00000 0.00000 0.00000 0.00113 0.00000 97 2S 0.00000 0.00004 0.00000 -0.00605 0.00000 98 2PX 0.00000 -0.00002 0.00000 -0.00070 0.00000 99 2PY 0.00000 0.00000 0.00000 0.00245 0.00000 100 2PZ 0.00000 0.00000 0.00001 0.00000 -0.00103 101 3S 0.00000 0.00017 0.00000 0.00663 0.00000 102 3PX 0.00000 0.00012 0.00000 0.00083 0.00000 103 3PY 0.00000 -0.00001 0.00000 -0.00512 0.00000 104 3PZ -0.00001 0.00000 -0.00005 0.00000 0.00202 105 4S 0.00000 -0.00102 0.00000 0.01502 0.00000 106 4PX 0.00000 -0.00051 0.00000 0.00196 0.00000 107 4PY 0.00000 0.00027 0.00000 -0.00781 0.00000 108 4PZ 0.00011 0.00000 0.00016 0.00000 -0.00114 109 5XX 0.00000 0.00007 0.00000 -0.00149 0.00000 110 5YY 0.00000 0.00005 0.00000 0.00191 0.00000 111 5ZZ 0.00000 0.00006 0.00000 -0.00169 0.00000 112 5XY 0.00000 0.00002 0.00000 -0.00065 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00029 114 5YZ -0.00002 0.00000 0.00000 0.00000 -0.00014 115 7 Br 1S 0.00000 -0.00001 0.00000 -0.00055 0.00000 116 2S 0.00000 0.00004 0.00000 0.00348 0.00000 117 3S 0.00000 -0.00002 0.00000 -0.00396 0.00000 118 4S 0.00000 -0.00009 0.00000 -0.00697 0.00000 119 5S 0.00000 -0.00047 0.00000 -0.00645 0.00000 120 6S -0.00001 0.00156 0.00000 0.03080 0.00000 121 7PX 0.00000 0.00001 0.00000 -0.00077 0.00000 122 7PY 0.00000 -0.00003 0.00000 -0.00027 0.00000 123 7PZ 0.00000 0.00000 0.00003 0.00000 0.00034 124 8PX 0.00000 -0.00002 0.00000 0.00228 0.00000 125 8PY 0.00000 0.00008 0.00000 0.00083 0.00000 126 8PZ -0.00001 0.00000 -0.00009 0.00000 -0.00103 127 9PX 0.00000 0.00008 0.00000 -0.00172 0.00000 128 9PY 0.00000 -0.00008 0.00000 -0.00125 0.00000 129 9PZ 0.00004 0.00000 0.00007 0.00000 0.00145 130 10PX 0.00000 -0.00040 0.00000 -0.01121 0.00000 131 10PY 0.00000 0.00005 0.00000 -0.00430 0.00000 132 10PZ -0.00011 0.00000 -0.00006 0.00000 -0.00058 133 11XX -0.00003 -0.16616 -0.00048 0.00049 0.00000 134 11YY -0.00012 -0.69138 -0.00193 0.00227 0.00000 135 11ZZ 0.00015 0.85756 0.00241 0.00255 0.00000 136 11XY 0.00007 0.40419 0.00118 -0.00083 0.00000 137 11XZ -0.01013 0.00129 -0.44669 0.00000 0.00050 138 11YZ 0.02013 -0.00250 0.88956 0.00000 0.00004 139 12XX 0.00000 -0.00375 -0.00001 0.00007 0.00000 140 12YY 0.00000 -0.01498 -0.00004 -0.00385 0.00000 141 12ZZ 0.00000 0.01798 0.00005 -0.00612 0.00000 142 12XY 0.00000 0.00862 0.00003 0.00374 0.00000 143 12XZ -0.00021 0.00003 -0.00950 0.00000 0.00118 144 12YZ 0.00045 -0.00005 0.01892 0.00000 0.00105 145 8 Br 1S 0.00000 0.00000 0.00000 -0.00055 0.00000 146 2S 0.00000 -0.00001 0.00000 0.00348 0.00000 147 3S 0.00000 0.00007 0.00000 -0.00396 0.00000 148 4S 0.00000 -0.00003 0.00000 -0.00697 0.00000 149 5S 0.00000 -0.00051 0.00000 -0.00646 0.00000 150 6S -0.00001 0.00161 0.00000 0.03082 0.00001 151 7PX 0.00000 0.00000 0.00000 0.00077 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00027 0.00000 153 7PZ -0.00003 0.00000 0.00000 0.00000 0.00034 154 8PX 0.00000 0.00000 0.00000 -0.00228 0.00000 155 8PY 0.00000 0.00001 0.00000 -0.00084 0.00000 156 8PZ 0.00009 0.00000 0.00000 0.00000 -0.00103 157 9PX 0.00000 0.00002 0.00000 0.00172 0.00000 158 9PY 0.00000 -0.00007 0.00000 0.00125 0.00000 159 9PZ -0.00007 0.00000 -0.00003 0.00000 0.00145 160 10PX 0.00000 -0.00005 0.00000 0.01121 0.00000 161 10PY 0.00000 0.00021 0.00000 0.00430 0.00000 162 10PZ 0.00007 0.00000 0.00011 0.00000 -0.00058 163 11XX 0.00103 -0.00416 -0.00001 0.00049 0.00000 164 11YY 0.00363 -0.01745 -0.00004 0.00227 0.00000 165 11ZZ -0.00466 0.02147 0.00005 0.00255 0.00000 166 11XY -0.00232 0.01015 0.00003 -0.00083 0.00000 167 11XZ -0.44688 -0.00002 0.01010 0.00000 -0.00050 168 11YZ 0.88945 0.00003 -0.02015 0.00000 -0.00004 169 12XX 0.00002 -0.00044 0.00000 0.00007 0.00000 170 12YY 0.00008 -0.00068 0.00000 -0.00385 0.00000 171 12ZZ -0.00010 0.00012 0.00000 -0.00612 0.00000 172 12XY -0.00005 0.00022 0.00000 0.00374 0.00000 173 12XZ -0.00951 0.00000 0.00022 0.00000 -0.00118 174 12YZ 0.01891 0.00000 -0.00041 0.00000 -0.00105 61 62 63 64 65 O O O O O Eigenvalues -- -0.81476 -0.80963 -0.76614 -0.76019 -0.67541 1 1 Al 1S -0.01178 0.00379 0.01128 -0.00300 0.01421 2 2S 0.05790 -0.01924 -0.05486 0.01741 -0.05652 3 2PX -0.00636 -0.01551 -0.01538 0.03179 0.08954 4 2PY -0.02696 0.03293 -0.03188 0.00961 -0.04612 5 2PZ 0.00001 0.00000 0.00001 0.00000 -0.00003 6 3S -0.10624 0.02964 0.10760 -0.01362 0.19570 7 3PX -0.00225 0.02584 0.04068 -0.06331 -0.16778 8 3PY 0.06226 -0.06624 0.05866 -0.02120 0.08600 9 3PZ -0.00001 0.00001 -0.00001 0.00000 0.00005 10 4S 0.00919 -0.00087 0.00564 -0.02892 -0.00586 11 4PX 0.00136 -0.00201 0.02153 -0.01911 0.01422 12 4PY -0.00328 0.01590 0.00676 -0.02962 -0.00729 13 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 14 5XX 0.01645 -0.01181 -0.00784 -0.00736 0.05532 15 5YY -0.00980 0.02555 -0.00568 -0.00082 -0.00504 16 5ZZ 0.01019 -0.00877 -0.00437 0.00481 -0.06558 17 5XY -0.00493 0.00381 0.00781 -0.01777 -0.04966 18 5XZ 0.00000 0.00000 0.00000 0.00000 -0.00002 19 5YZ 0.00001 -0.00001 0.00000 0.00000 0.00001 20 2 Al 1S 0.01179 0.00378 -0.01128 -0.00298 0.01420 21 2S -0.05792 -0.01917 0.05488 0.01734 -0.05647 22 2PX -0.00633 0.01552 -0.01541 -0.03178 -0.08953 23 2PY -0.02701 -0.03289 -0.03189 -0.00958 0.04610 24 2PZ -0.00001 0.00000 -0.00001 0.00000 0.00003 25 3S 0.10627 0.02952 -0.10763 -0.01349 0.19562 26 3PX -0.00228 -0.02584 0.04074 0.06328 0.16777 27 3PY 0.06235 0.06615 0.05868 0.02115 -0.08596 28 3PZ 0.00001 0.00000 0.00002 0.00000 -0.00005 29 4S -0.00919 -0.00085 -0.00567 -0.02891 -0.00589 30 4PX 0.00137 0.00202 0.02154 0.01908 -0.01423 31 4PY -0.00329 -0.01590 0.00679 0.02962 0.00730 32 4PZ 0.00000 0.00000 0.00000 0.00001 0.00000 33 5XX -0.01646 -0.01179 0.00783 -0.00736 0.05535 34 5YY 0.00983 0.02554 0.00568 -0.00084 -0.00504 35 5ZZ -0.01020 -0.00876 0.00438 0.00480 -0.06559 36 5XY 0.00493 0.00380 -0.00783 -0.01776 -0.04965 37 5XZ 0.00000 0.00000 0.00000 -0.00001 -0.00002 38 5YZ 0.00000 0.00001 0.00000 0.00000 0.00001 39 3 Cl 1S 0.00000 -0.00318 0.00000 0.00223 -0.02609 40 2S 0.00001 0.01570 -0.00001 -0.01089 0.11294 41 2PX 0.02072 -0.00001 -0.04198 0.00003 -0.00001 42 2PY -0.02522 0.00001 -0.00484 0.00000 0.00002 43 2PZ 0.00000 0.00604 0.00000 -0.00676 -0.18350 44 3S -0.00002 -0.02624 0.00001 0.01879 -0.26631 45 3PX -0.05224 0.00002 0.10354 -0.00006 0.00001 46 3PY 0.06235 -0.00003 0.01184 0.00000 -0.00005 47 3PZ 0.00000 -0.01118 0.00000 0.01447 0.44128 48 4S 0.00000 0.00408 0.00000 -0.00357 -0.31223 49 4PX -0.00739 0.00001 0.00063 0.00000 0.00001 50 4PY 0.00080 0.00000 -0.00717 0.00001 0.00000 51 4PZ 0.00001 0.00656 -0.00001 -0.01105 0.03607 52 5XX 0.00000 0.00201 0.00000 -0.00655 -0.03415 53 5YY 0.00000 0.00531 0.00000 0.00012 -0.02119 54 5ZZ 0.00000 -0.00386 0.00000 0.00419 0.05944 55 5XY 0.00000 -0.00284 0.00000 -0.00132 0.01057 56 5XZ -0.00714 0.00000 0.01327 -0.00001 0.00001 57 5YZ 0.00932 0.00000 0.00232 0.00000 -0.00001 58 4 Cl 1S 0.00000 -0.00318 0.00000 0.00222 -0.02609 59 2S 0.00001 0.01571 -0.00001 -0.01089 0.11294 60 2PX 0.02072 -0.00001 -0.04197 0.00003 -0.00003 61 2PY -0.02523 0.00002 -0.00484 0.00000 0.00001 62 2PZ -0.00001 -0.00604 0.00000 0.00676 0.18349 63 3S -0.00001 -0.02626 0.00001 0.01877 -0.26632 64 3PX -0.05225 0.00003 0.10352 -0.00007 0.00007 65 3PY 0.06237 -0.00004 0.01184 0.00000 -0.00003 66 3PZ 0.00001 0.01119 -0.00001 -0.01446 -0.44126 67 4S 0.00000 0.00407 0.00000 -0.00357 -0.31223 68 4PX -0.00738 0.00000 0.00063 0.00000 0.00000 69 4PY 0.00080 0.00000 -0.00717 0.00000 0.00000 70 4PZ 0.00000 -0.00656 0.00000 0.01104 -0.03607 71 5XX 0.00000 0.00201 -0.00001 -0.00655 -0.03415 72 5YY 0.00000 0.00531 0.00000 0.00012 -0.02119 73 5ZZ 0.00000 -0.00386 0.00000 0.00419 0.05944 74 5XY 0.00000 -0.00284 0.00000 -0.00132 0.01056 75 5XZ 0.00714 0.00000 -0.01327 0.00001 0.00000 76 5YZ -0.00932 0.00001 -0.00232 0.00000 0.00000 77 5 Cl 1S -0.05693 0.05888 -0.00849 0.00483 0.00123 78 2S 0.25761 -0.26646 0.03819 -0.02146 -0.00620 79 2PX -0.00421 0.00362 -0.00164 0.00116 -0.00008 80 2PY 0.01838 -0.01683 -0.00082 0.00059 0.00065 81 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 3S -0.51130 0.52960 -0.07787 0.04498 0.01017 83 3PX 0.00982 -0.00863 0.00456 -0.00300 0.00088 84 3PY -0.04326 0.03986 0.00205 -0.00160 -0.00191 85 3PZ 0.00001 -0.00001 0.00000 0.00000 0.00000 86 4S -0.21101 0.22354 -0.02975 0.01184 0.01667 87 4PX 0.00360 -0.00299 -0.00493 0.00323 -0.00198 88 4PY -0.00615 0.00553 0.00109 0.00038 0.00947 89 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 5XX 0.00881 -0.00888 0.00064 -0.00035 -0.00066 91 5YY -0.00482 0.00372 0.00085 -0.00023 -0.00008 92 5ZZ 0.00876 -0.00875 0.00069 -0.00015 -0.00168 93 5XY 0.00312 -0.00274 0.00054 -0.00041 0.00006 94 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 6 Cl 1S 0.05701 0.05881 0.00849 0.00481 0.00124 97 2S -0.25794 -0.26614 -0.03821 -0.02140 -0.00622 98 2PX -0.00422 -0.00362 -0.00164 -0.00116 0.00008 99 2PY 0.01840 0.01681 -0.00082 -0.00059 -0.00065 100 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 3S 0.51197 0.52895 0.07792 0.04487 0.01021 102 3PX 0.00984 0.00862 0.00456 0.00300 -0.00088 103 3PY -0.04331 -0.03981 0.00205 0.00160 0.00192 104 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4S 0.21129 0.22328 0.02976 0.01179 0.01668 106 4PX 0.00360 0.00298 -0.00494 -0.00323 0.00198 107 4PY -0.00616 -0.00552 0.00109 -0.00038 -0.00947 108 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 109 5XX -0.00882 -0.00887 -0.00064 -0.00035 -0.00066 110 5YY 0.00483 0.00371 -0.00085 -0.00023 -0.00008 111 5ZZ -0.00877 -0.00873 -0.00069 -0.00015 -0.00168 112 5XY -0.00312 -0.00274 -0.00054 -0.00041 0.00006 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 7 Br 1S 0.00351 -0.00229 -0.03517 0.03701 -0.00121 116 2S -0.02281 0.01495 0.22873 -0.24079 0.00790 117 3S 0.02654 -0.01751 -0.26600 0.28017 -0.00924 118 4S 0.04664 -0.03042 -0.47058 0.49548 -0.01644 119 5S -0.03726 0.02728 0.40987 -0.43751 0.00508 120 6S -0.02627 0.00851 0.18961 -0.18780 0.03101 121 7PX 0.00123 -0.00068 -0.00640 0.00559 0.00026 122 7PY 0.00096 -0.00065 -0.00257 0.00245 0.00012 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX -0.00373 0.00209 0.01953 -0.01707 -0.00084 125 8PY -0.00292 0.00199 0.00784 -0.00747 -0.00035 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX 0.00628 -0.00376 -0.03409 0.03097 0.00292 128 9PY 0.00494 -0.00334 -0.01397 0.01369 0.00045 129 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 10PX 0.00428 -0.00114 -0.00437 -0.00031 -0.00999 131 10PY 0.00200 -0.00127 0.00033 -0.00135 -0.00417 132 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 11XX -0.01129 0.00764 0.11582 -0.12288 0.00370 134 11YY -0.01208 0.00781 0.12204 -0.12813 0.00421 135 11ZZ -0.01267 0.00838 0.12319 -0.12934 0.00474 136 11XY 0.00112 -0.00065 -0.00400 0.00372 -0.00013 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX -0.00674 0.00569 0.05885 -0.06271 0.00087 140 12YY -0.00363 0.00398 0.04773 -0.05296 -0.00194 141 12ZZ -0.00322 0.00342 0.04614 -0.05135 -0.00419 142 12XY -0.00200 0.00095 0.00761 -0.00649 0.00231 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S -0.00351 -0.00229 0.03521 0.03698 -0.00121 146 2S 0.02282 0.01492 -0.22900 -0.24054 0.00791 147 3S -0.02656 -0.01747 0.26631 0.27988 -0.00926 148 4S -0.04666 -0.03035 0.47113 0.49497 -0.01646 149 5S 0.03728 0.02723 -0.41034 -0.43707 0.00510 150 6S 0.02628 0.00848 -0.18982 -0.18759 0.03104 151 7PX 0.00123 0.00068 -0.00641 -0.00558 -0.00027 152 7PY 0.00096 0.00065 -0.00257 -0.00244 -0.00012 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX -0.00373 -0.00208 0.01955 0.01704 0.00084 155 8PY -0.00292 -0.00198 0.00785 0.00747 0.00035 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00628 0.00375 -0.03412 -0.03093 -0.00293 158 9PY 0.00495 0.00334 -0.01399 -0.01368 -0.00045 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX 0.00428 0.00114 -0.00437 0.00032 0.00999 161 10PY 0.00201 0.00127 0.00033 0.00135 0.00417 162 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 11XX 0.01130 0.00762 -0.11596 -0.12276 0.00371 164 11YY 0.01208 0.00780 -0.12218 -0.12799 0.00422 165 11ZZ 0.01268 0.00836 -0.12333 -0.12921 0.00475 166 11XY -0.00112 -0.00065 0.00401 0.00372 -0.00013 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00675 0.00568 -0.05892 -0.06265 0.00086 170 12YY 0.00364 0.00397 -0.04779 -0.05291 -0.00194 171 12ZZ 0.00322 0.00342 -0.04619 -0.05130 -0.00419 172 12XY 0.00200 0.00094 -0.00762 -0.00648 0.00231 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 67 68 69 70 O O O O O Eigenvalues -- -0.66661 -0.64139 -0.61321 -0.52491 -0.46764 1 1 Al 1S 0.03739 0.00092 0.00000 0.00000 0.00000 2 2S -0.18360 -0.00479 0.00000 0.00000 -0.00001 3 2PX 0.06831 -0.04569 -0.00002 0.00000 0.00001 4 2PY -0.02906 -0.09426 0.00002 0.00000 -0.00001 5 2PZ 0.00001 -0.00001 -0.17543 -0.00052 0.09095 6 3S 0.37263 0.00802 0.00001 0.00000 0.00000 7 3PX -0.09832 0.09390 0.00002 0.00000 -0.00001 8 3PY 0.03632 0.19279 -0.00004 0.00000 0.00001 9 3PZ -0.00001 0.00002 0.29128 0.00034 -0.13001 10 4S 0.07626 -0.00446 0.00003 -0.00001 0.00001 11 4PX -0.02915 0.00579 -0.00001 0.00000 0.00000 12 4PY 0.01078 0.01037 0.00000 0.00000 0.00000 13 4PZ 0.00000 0.00000 -0.00050 -0.00066 0.02523 14 5XX -0.04780 -0.06702 -0.00001 0.00000 0.00001 15 5YY -0.05487 0.06374 -0.00001 -0.00001 0.00001 16 5ZZ 0.02402 0.00107 0.00002 0.00001 -0.00001 17 5XY -0.00178 -0.05495 0.00001 0.00000 -0.00001 18 5XZ 0.00001 0.00000 -0.06524 0.03735 0.07518 19 5YZ -0.00001 0.00001 0.03292 0.07411 -0.03890 20 2 Al 1S -0.03739 -0.00092 -0.00001 0.00000 0.00000 21 2S 0.18361 0.00481 0.00003 0.00000 0.00001 22 2PX 0.06834 -0.04566 0.00003 0.00000 0.00001 23 2PY -0.02904 -0.09427 -0.00002 -0.00001 -0.00001 24 2PZ -0.00002 0.00000 0.17543 0.00058 0.09096 25 3S -0.37268 -0.00813 -0.00006 0.00000 -0.00001 26 3PX -0.09837 0.09385 -0.00004 0.00001 -0.00001 27 3PY 0.03628 0.19282 0.00003 0.00002 0.00001 28 3PZ 0.00003 0.00000 -0.29128 -0.00043 -0.13002 29 4S -0.07627 0.00449 -0.00001 0.00001 -0.00001 30 4PX -0.02915 0.00581 -0.00001 0.00001 -0.00001 31 4PY 0.01078 0.01037 0.00000 0.00000 0.00000 32 4PZ 0.00000 0.00000 0.00050 0.00067 0.02523 33 5XX 0.04778 0.06703 -0.00001 0.00001 -0.00001 34 5YY 0.05488 -0.06371 0.00000 -0.00001 -0.00001 35 5ZZ -0.02400 -0.00108 0.00001 0.00001 0.00002 36 5XY 0.00178 0.05497 0.00001 0.00001 0.00001 37 5XZ 0.00000 0.00000 -0.06526 0.03730 -0.07520 38 5YZ 0.00000 -0.00001 0.03289 0.07414 0.03885 39 3 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00103 40 2S -0.00001 0.00000 -0.00001 0.00001 -0.00467 41 2PX -0.16563 -0.08727 0.18806 0.09877 -0.00003 42 2PY 0.09326 -0.15798 -0.09719 0.18995 -0.00001 43 2PZ 0.00004 -0.00002 0.00000 -0.00003 -0.23628 44 3S 0.00002 0.00001 0.00003 -0.00003 -0.00152 45 3PX 0.41069 0.21803 -0.46144 -0.25530 0.00007 46 3PY -0.23132 0.39497 0.23842 -0.49112 0.00002 47 3PZ -0.00009 0.00004 -0.00001 0.00006 0.61580 48 4S 0.00003 0.00001 0.00004 -0.00005 -0.14907 49 4PX 0.04443 0.03390 -0.03835 -0.09990 0.00003 50 4PY -0.02454 0.06180 0.02051 -0.19286 0.00003 51 4PZ -0.00001 0.00002 0.00000 0.00001 0.20538 52 5XX 0.00000 0.00000 0.00000 0.00000 0.00547 53 5YY 0.00001 -0.00002 -0.00001 0.00001 -0.00145 54 5ZZ -0.00002 0.00001 0.00000 0.00000 0.02649 55 5XY -0.00001 0.00000 0.00001 0.00000 -0.00558 56 5XZ 0.04373 0.02645 -0.03294 -0.01410 0.00000 57 5YZ -0.02506 0.04854 0.01698 -0.02698 -0.00001 58 4 Cl 1S 0.00000 0.00000 0.00000 0.00000 -0.00103 59 2S -0.00002 0.00000 -0.00001 -0.00001 0.00467 60 2PX -0.16560 -0.08728 -0.18807 -0.09878 0.00000 61 2PY 0.09324 -0.15796 0.09721 -0.18996 0.00005 62 2PZ -0.00001 0.00000 0.00000 -0.00005 -0.23629 63 3S 0.00004 0.00001 0.00003 0.00003 0.00153 64 3PX 0.41063 0.21805 0.46149 0.25531 -0.00001 65 3PY -0.23127 0.39491 -0.23848 0.49114 -0.00013 66 3PZ 0.00001 0.00000 0.00001 0.00012 0.61581 67 4S 0.00005 0.00001 0.00004 0.00005 0.14908 68 4PX 0.04442 0.03389 0.03836 0.09991 -0.00002 69 4PY -0.02453 0.06179 -0.02051 0.19286 -0.00006 70 4PZ 0.00000 -0.00001 0.00000 0.00003 0.20538 71 5XX 0.00000 -0.00001 -0.00001 0.00000 -0.00547 72 5YY 0.00000 0.00000 0.00000 0.00000 0.00145 73 5ZZ 0.00000 0.00000 0.00000 -0.00001 -0.02649 74 5XY 0.00000 -0.00001 0.00000 -0.00001 0.00558 75 5XZ -0.04373 -0.02645 -0.03295 -0.01410 -0.00001 76 5YZ 0.02506 -0.04854 0.01699 -0.02698 0.00000 77 5 Cl 1S -0.01311 0.00856 -0.00001 0.00000 0.00000 78 2S 0.05953 -0.03930 0.00002 -0.00001 0.00000 79 2PX 0.00458 -0.00888 0.00000 -0.00001 0.00000 80 2PY -0.01489 0.01078 -0.00001 0.00001 0.00000 81 2PZ 0.00000 0.00000 -0.00945 0.01294 -0.00331 82 3S -0.12249 0.07973 -0.00005 0.00003 0.00000 83 3PX -0.01129 0.02164 -0.00001 0.00002 0.00000 84 3PY 0.03522 -0.02496 0.00003 -0.00003 0.00000 85 3PZ 0.00000 0.00000 0.02322 -0.03207 0.00855 86 4S -0.07183 0.06904 -0.00005 0.00002 0.00000 87 4PX 0.00417 -0.00093 0.00000 0.00001 0.00000 88 4PY 0.00340 0.00764 0.00000 -0.00001 0.00000 89 4PZ 0.00000 -0.00001 -0.00028 -0.01236 0.00478 90 5XX 0.00018 -0.00204 0.00000 0.00000 0.00000 91 5YY 0.00621 -0.00403 0.00000 0.00000 0.00000 92 5ZZ 0.00063 -0.00042 0.00000 0.00000 0.00000 93 5XY -0.00181 0.00312 0.00000 0.00000 0.00000 94 5XZ 0.00000 0.00000 -0.00106 0.00225 0.00002 95 5YZ 0.00000 0.00000 0.00315 -0.00396 0.00088 96 6 Cl 1S 0.01312 -0.00856 0.00000 0.00000 0.00000 97 2S -0.05955 0.03931 -0.00001 0.00000 0.00000 98 2PX 0.00458 -0.00888 0.00000 0.00000 0.00000 99 2PY -0.01489 0.01078 0.00000 0.00000 0.00000 100 2PZ 0.00000 0.00000 0.00946 -0.01294 -0.00330 101 3S 0.12252 -0.07974 0.00002 -0.00001 0.00000 102 3PX -0.01130 0.02164 0.00000 0.00001 0.00000 103 3PY 0.03523 -0.02496 0.00001 -0.00001 0.00000 104 3PZ 0.00001 0.00000 -0.02323 0.03207 0.00853 105 4S 0.07185 -0.06905 0.00001 -0.00001 0.00000 106 4PX 0.00417 -0.00093 0.00000 0.00000 0.00000 107 4PY 0.00340 0.00765 0.00000 0.00000 0.00000 108 4PZ 0.00000 0.00000 0.00028 0.01236 0.00477 109 5XX -0.00018 0.00204 0.00000 0.00000 0.00000 110 5YY -0.00621 0.00403 0.00000 0.00000 0.00000 111 5ZZ -0.00063 0.00042 0.00000 0.00000 0.00000 112 5XY 0.00181 -0.00312 0.00000 0.00000 0.00000 113 5XZ 0.00000 0.00000 -0.00106 0.00225 -0.00002 114 5YZ 0.00000 0.00000 0.00315 -0.00396 -0.00088 115 7 Br 1S 0.01020 0.00715 0.00000 0.00000 0.00000 116 2S -0.06614 -0.04623 0.00000 0.00000 0.00000 117 3S 0.07649 0.05315 0.00000 0.00000 0.00000 118 4S 0.13815 0.09744 0.00000 0.00000 0.00000 119 5S -0.11344 -0.06768 0.00001 0.00000 0.00000 120 6S -0.09234 -0.10819 -0.00001 0.00001 0.00000 121 7PX -0.00436 -0.00496 0.00000 0.00000 0.00000 122 7PY -0.00164 0.00013 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00297 0.00405 0.00114 124 8PX 0.01329 0.01513 0.00000 0.00000 0.00000 125 8PY 0.00499 -0.00042 0.00000 0.00000 0.00000 126 8PZ 0.00000 0.00000 -0.00908 -0.01240 -0.00350 127 9PX -0.02202 -0.02525 0.00000 0.00001 0.00000 128 9PY -0.00750 0.00207 0.00000 0.00000 0.00000 129 9PZ 0.00000 0.00000 0.01637 0.02200 0.00643 130 10PX -0.00696 0.00282 0.00000 0.00000 0.00000 131 10PY -0.00753 0.00293 0.00000 0.00000 0.00000 132 10PZ 0.00000 0.00000 0.00140 0.01387 0.00520 133 11XX -0.03641 -0.02629 0.00000 0.00000 0.00000 134 11YY -0.03358 -0.02267 0.00000 0.00000 0.00000 135 11ZZ -0.03352 -0.02292 0.00000 0.00000 0.00000 136 11XY -0.00157 -0.00014 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00211 0.00245 0.00029 138 11YZ 0.00000 0.00000 0.00067 0.00014 0.00017 139 12XX -0.00680 -0.00040 0.00000 0.00000 0.00000 140 12YY -0.00884 0.00054 0.00000 0.00000 0.00000 141 12ZZ -0.01011 -0.00123 0.00000 0.00000 0.00000 142 12XY 0.00351 0.00078 0.00000 0.00000 0.00000 143 12XZ 0.00000 0.00000 -0.00058 -0.00363 -0.00159 144 12YZ 0.00000 0.00000 0.00103 0.00089 -0.00088 145 8 Br 1S -0.01019 -0.00715 0.00000 0.00000 0.00000 146 2S 0.06612 0.04624 -0.00001 0.00000 0.00000 147 3S -0.07647 -0.05316 0.00001 0.00001 0.00000 148 4S -0.13811 -0.09746 0.00002 0.00001 0.00000 149 5S 0.11341 0.06769 -0.00001 -0.00001 0.00000 150 6S 0.09231 0.10820 -0.00002 0.00000 0.00000 151 7PX -0.00436 -0.00496 0.00000 0.00000 0.00000 152 7PY -0.00164 0.00013 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 -0.00297 -0.00405 0.00114 154 8PX 0.01328 0.01514 0.00000 0.00000 0.00000 155 8PY 0.00499 -0.00042 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00907 0.01241 -0.00350 157 9PX -0.02202 -0.02525 0.00001 0.00001 0.00000 158 9PY -0.00751 0.00207 0.00000 0.00000 0.00000 159 9PZ 0.00000 0.00000 -0.01637 -0.02200 0.00644 160 10PX -0.00697 0.00281 0.00000 0.00000 0.00000 161 10PY -0.00753 0.00293 0.00000 0.00000 0.00000 162 10PZ 0.00000 0.00000 -0.00140 -0.01387 0.00520 163 11XX 0.03640 0.02629 0.00000 0.00000 0.00000 164 11YY 0.03357 0.02267 0.00000 0.00000 0.00000 165 11ZZ 0.03351 0.02293 0.00000 0.00000 0.00000 166 11XY 0.00157 0.00014 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00211 0.00245 -0.00029 168 11YZ 0.00000 0.00000 0.00067 0.00014 -0.00017 169 12XX 0.00680 0.00040 0.00000 0.00000 0.00000 170 12YY 0.00884 -0.00054 0.00000 0.00000 0.00000 171 12ZZ 0.01011 0.00123 0.00000 0.00000 0.00000 172 12XY -0.00351 -0.00079 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 -0.00058 -0.00363 0.00159 174 12YZ 0.00000 0.00000 0.00103 0.00089 0.00088 71 72 73 74 75 O O O O O Eigenvalues -- -0.41513 -0.38817 -0.37321 -0.35058 -0.33733 1 1 Al 1S -0.01844 0.00737 0.00452 -0.00219 -0.00062 2 2S 0.09680 -0.03095 -0.02369 0.01022 -0.01323 3 2PX 0.05976 -0.06764 -0.05848 0.04159 -0.00163 4 2PY -0.05304 0.05035 -0.07243 0.02963 -0.00870 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.00001 6 3S -0.17814 0.11113 0.04491 -0.02776 -0.09252 7 3PX -0.16243 0.17195 0.16600 -0.11769 0.01163 8 3PY 0.15059 -0.13745 0.21039 -0.09315 0.01875 9 3PZ 0.00000 0.00000 -0.00001 0.00000 -0.00005 10 4S -0.02810 -0.07749 0.01015 0.07150 0.06014 11 4PX 0.01087 0.02918 0.01848 -0.04706 -0.12138 12 4PY -0.01118 -0.01064 0.00903 0.01972 0.03528 13 4PZ 0.00001 -0.00001 0.00000 -0.00001 -0.00004 14 5XX 0.02164 -0.00505 0.01782 -0.05986 -0.00184 15 5YY -0.03839 0.05797 -0.01812 0.04949 0.03047 16 5ZZ 0.01272 -0.04907 0.00000 0.00835 0.00485 17 5XY -0.02900 0.00765 0.01905 -0.04074 0.05480 18 5XZ 0.00000 0.00000 0.00000 0.00000 -0.00001 19 5YZ 0.00001 -0.00001 0.00001 -0.00001 0.00002 20 2 Al 1S -0.01844 -0.00737 0.00452 0.00218 -0.00062 21 2S 0.09680 0.03095 -0.02370 -0.01021 -0.01323 22 2PX -0.05977 -0.06766 0.05846 0.04157 0.00162 23 2PY 0.05304 0.05031 0.07246 0.02962 0.00870 24 2PZ 0.00001 0.00000 0.00001 0.00000 0.00001 25 3S -0.17812 -0.11114 0.04494 0.02767 -0.09252 26 3PX 0.16245 0.17201 -0.16596 -0.11765 -0.01160 27 3PY -0.15058 -0.13735 -0.21048 -0.09311 -0.01876 28 3PZ -0.00002 0.00000 -0.00003 -0.00001 -0.00004 29 4S -0.02808 0.07750 0.01016 -0.07148 0.06031 30 4PX -0.01086 0.02920 -0.01848 -0.04701 0.12149 31 4PY 0.01117 -0.01063 -0.00902 0.01971 -0.03532 32 4PZ 0.00000 0.00000 0.00000 0.00001 -0.00002 33 5XX 0.02165 0.00505 0.01783 0.05985 -0.00187 34 5YY -0.03841 -0.05797 -0.01817 -0.04944 0.03052 35 5ZZ 0.01272 0.04907 0.00002 -0.00836 0.00484 36 5XY -0.02900 -0.00764 0.01906 0.04077 0.05480 37 5XZ -0.00001 0.00000 0.00001 0.00001 0.00001 38 5YZ -0.00001 -0.00001 0.00000 0.00000 -0.00001 39 3 Cl 1S 0.00911 0.00000 -0.00201 0.00000 -0.00409 40 2S -0.04066 0.00000 0.00855 0.00000 0.01795 41 2PX 0.00001 0.05434 0.00001 -0.03670 0.00000 42 2PY 0.00000 -0.04202 -0.00002 -0.03982 0.00001 43 2PZ 0.00163 -0.00001 -0.00145 0.00000 0.00500 44 3S 0.09498 0.00001 -0.02241 0.00000 -0.04395 45 3PX -0.00002 -0.13883 -0.00002 0.09808 0.00000 46 3PY 0.00001 0.10863 0.00006 0.10793 -0.00003 47 3PZ -0.01132 0.00001 0.00489 0.00000 -0.01243 48 4S -0.02140 0.00002 0.01102 0.00000 -0.05345 49 4PX 0.00000 -0.02679 0.00000 0.03525 0.00000 50 4PY 0.00001 0.03225 0.00002 0.05848 -0.00001 51 4PZ -0.05663 0.00001 0.01306 0.00001 0.03803 52 5XX -0.01509 -0.00001 0.02751 0.00000 0.00232 53 5YY -0.01170 0.00000 -0.02121 0.00000 0.00986 54 5ZZ 0.02032 0.00000 -0.00533 0.00000 -0.01006 55 5XY 0.01231 0.00000 0.01530 0.00000 0.01034 56 5XZ 0.00000 -0.00551 0.00000 0.00495 0.00000 57 5YZ 0.00000 0.00444 0.00000 0.00498 0.00000 58 4 Cl 1S 0.00911 0.00000 -0.00201 0.00000 -0.00408 59 2S -0.04066 0.00000 0.00854 0.00000 0.01793 60 2PX 0.00000 0.05434 0.00000 -0.03669 0.00000 61 2PY 0.00001 -0.04203 -0.00002 -0.03983 0.00001 62 2PZ -0.00163 -0.00001 0.00145 0.00000 -0.00501 63 3S 0.09499 0.00000 -0.02238 0.00000 -0.04390 64 3PX -0.00001 -0.13884 -0.00001 0.09805 0.00001 65 3PY -0.00001 0.10866 0.00004 0.10796 -0.00003 66 3PZ 0.01131 0.00001 -0.00489 0.00001 0.01246 67 4S -0.02140 -0.00002 0.01103 0.00001 -0.05336 68 4PX 0.00000 -0.02679 0.00000 0.03525 0.00001 69 4PY -0.00001 0.03227 0.00002 0.05849 -0.00001 70 4PZ 0.05663 0.00001 -0.01305 -0.00001 -0.03800 71 5XX -0.01508 0.00000 0.02751 -0.00001 0.00231 72 5YY -0.01170 0.00000 -0.02121 0.00001 0.00986 73 5ZZ 0.02032 0.00000 -0.00532 0.00000 -0.01005 74 5XY 0.01231 0.00000 0.01530 0.00000 0.01035 75 5XZ 0.00000 0.00551 0.00000 -0.00495 0.00000 76 5YZ 0.00000 -0.00445 0.00000 -0.00498 0.00000 77 5 Cl 1S 0.01148 -0.00852 0.00429 -0.00251 -0.00036 78 2S -0.05258 0.03883 -0.02043 0.01194 0.00092 79 2PX -0.01074 -0.00655 -0.05802 0.06675 0.16574 80 2PY 0.14149 -0.15539 0.09161 -0.09219 0.03042 81 2PZ -0.00003 0.00005 -0.00002 0.00004 0.00009 82 3S 0.11426 -0.08637 0.04162 -0.02480 -0.00529 83 3PX 0.02724 0.01676 0.14715 -0.16972 -0.42355 84 3PY -0.35548 0.39244 -0.23158 0.23468 -0.07737 85 3PZ 0.00008 -0.00013 0.00006 -0.00010 -0.00022 86 4S 0.09567 -0.06612 0.05449 -0.02532 0.01137 87 4PX 0.00776 0.00740 0.06610 -0.08496 -0.21600 88 4PY -0.13484 0.16755 -0.09258 0.10706 -0.03972 89 4PZ 0.00003 -0.00006 0.00002 -0.00005 -0.00012 90 5XX 0.00455 -0.00540 0.00070 -0.00145 0.00467 91 5YY -0.02291 0.02165 -0.01036 0.00855 -0.00530 92 5ZZ 0.00511 -0.00588 0.00217 -0.00239 -0.00067 93 5XY 0.00347 -0.00080 0.00890 -0.00790 -0.01206 94 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 5YZ 0.00001 -0.00001 0.00000 0.00000 -0.00001 96 6 Cl 1S 0.01148 0.00852 0.00429 0.00251 -0.00036 97 2S -0.05259 -0.03882 -0.02044 -0.01193 0.00093 98 2PX 0.01074 -0.00657 0.05803 0.06667 -0.16587 99 2PY -0.14150 -0.15536 -0.09169 -0.09217 -0.03040 100 2PZ -0.00001 -0.00002 -0.00001 -0.00002 0.00007 101 3S 0.11426 0.08634 0.04165 0.02478 -0.00530 102 3PX -0.02724 0.01681 -0.14718 -0.16952 0.42389 103 3PY 0.35551 0.39236 0.23178 0.23462 0.07732 104 3PZ 0.00004 0.00006 0.00002 0.00005 -0.00018 105 4S 0.09567 0.06608 0.05451 0.02530 0.01137 106 4PX -0.00777 0.00742 -0.06612 -0.08487 0.21618 107 4PY 0.13486 0.16753 0.09268 0.10704 0.03969 108 4PZ 0.00001 0.00003 0.00001 0.00002 -0.00010 109 5XX 0.00455 0.00540 0.00071 0.00145 0.00468 110 5YY -0.02291 -0.02164 -0.01037 -0.00855 -0.00530 111 5ZZ 0.00511 0.00588 0.00217 0.00239 -0.00067 112 5XY 0.00347 0.00080 0.00890 0.00789 -0.01207 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00000 0.00001 115 7 Br 1S -0.00529 0.00363 0.00545 -0.00393 0.00075 116 2S 0.03437 -0.02371 -0.03546 0.02545 -0.00536 117 3S -0.03978 0.02761 0.04102 -0.02920 0.00720 118 4S -0.07368 0.05074 0.07657 -0.05537 0.01001 119 5S 0.05333 -0.04113 -0.03751 0.02808 -0.02465 120 6S 0.08868 -0.05078 -0.14589 0.10101 0.04227 121 7PX 0.02611 -0.02273 -0.05134 0.05070 -0.02798 122 7PY 0.01831 -0.02075 -0.02128 0.02942 0.01981 123 7PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 124 8PX -0.08020 0.06985 0.15784 -0.15598 0.08612 125 8PY -0.05623 0.06376 0.06542 -0.09052 -0.06100 126 8PZ 0.00000 -0.00001 -0.00001 0.00001 0.00002 127 9PX 0.14312 -0.12452 -0.28351 0.28106 -0.15614 128 9PY 0.09985 -0.11393 -0.11765 0.16412 0.11051 129 9PZ -0.00001 0.00001 0.00001 -0.00002 -0.00004 130 10PX 0.09227 -0.08974 -0.18868 0.20689 -0.12026 131 10PY 0.06678 -0.07972 -0.07570 0.11558 0.08215 132 10PZ -0.00001 0.00001 0.00001 -0.00001 -0.00003 133 11XX 0.02181 -0.01486 -0.02582 0.01856 -0.00771 134 11YY 0.01770 -0.01326 -0.01552 0.01161 0.00010 135 11ZZ 0.01412 -0.00920 -0.01397 0.00898 -0.00252 136 11XY 0.00593 -0.00522 -0.00574 0.00588 0.00139 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX -0.00983 0.00518 0.02162 -0.01933 0.00109 140 12YY -0.00102 0.00081 0.00369 -0.00401 -0.01734 141 12ZZ 0.00486 -0.00674 0.00234 -0.00016 -0.00995 142 12XY -0.01032 0.00964 0.00883 -0.01046 -0.00508 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S -0.00529 -0.00363 0.00545 0.00393 0.00075 146 2S 0.03437 0.02371 -0.03547 -0.02544 -0.00536 147 3S -0.03977 -0.02762 0.04102 0.02919 0.00720 148 4S -0.07368 -0.05076 0.07657 0.05535 0.01000 149 5S 0.05333 0.04114 -0.03751 -0.02808 -0.02466 150 6S 0.08868 0.05083 -0.14592 -0.10096 0.04231 151 7PX -0.02611 -0.02274 0.05134 0.05069 0.02799 152 7PY -0.01832 -0.02075 0.02129 0.02941 -0.01982 153 7PZ -0.00001 -0.00001 0.00001 0.00001 -0.00001 154 8PX 0.08019 0.06989 -0.15785 -0.15594 -0.08614 155 8PY 0.05625 0.06378 -0.06546 -0.09051 0.06104 156 8PZ 0.00002 0.00002 -0.00002 -0.00004 0.00002 157 9PX -0.14310 -0.12458 0.28354 0.28099 0.15618 158 9PY -0.09987 -0.11397 0.11773 0.16411 -0.11057 159 9PZ -0.00003 -0.00003 0.00004 0.00007 -0.00004 160 10PX -0.09226 -0.08977 0.18870 0.20684 0.12030 161 10PY -0.06679 -0.07975 0.07576 0.11557 -0.08219 162 10PZ -0.00002 -0.00003 0.00003 0.00005 -0.00003 163 11XX 0.02181 0.01487 -0.02582 -0.01855 -0.00771 164 11YY 0.01770 0.01327 -0.01552 -0.01161 0.00011 165 11ZZ 0.01412 0.00920 -0.01398 -0.00898 -0.00252 166 11XY 0.00593 0.00522 -0.00574 -0.00588 0.00139 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX -0.00983 -0.00519 0.02162 0.01932 0.00109 170 12YY -0.00103 -0.00081 0.00370 0.00401 -0.01735 171 12ZZ 0.00486 0.00674 0.00234 0.00016 -0.00995 172 12XY -0.01032 -0.00964 0.00884 0.01046 -0.00508 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 77 78 79 80 O O O O O Eigenvalues -- -0.33668 -0.32941 -0.32844 -0.31026 -0.30434 1 1 Al 1S 0.00000 0.00000 -0.00070 0.00000 0.00000 2 2S 0.00000 0.00000 0.00113 0.00000 0.00000 3 2PX 0.00000 0.00001 0.00876 0.00000 0.00001 4 2PY -0.00001 0.00001 0.00815 0.00000 -0.00001 5 2PZ -0.02538 0.00434 -0.00001 -0.01595 0.00286 6 3S -0.00006 -0.00006 -0.01929 -0.00002 0.00000 7 3PX 0.00001 -0.00001 -0.00854 0.00000 -0.00002 8 3PY 0.00002 -0.00004 -0.02652 0.00000 0.00002 9 3PZ 0.07475 0.01676 -0.00002 0.04515 0.00838 10 4S 0.00000 -0.00049 -0.28473 0.00011 0.00015 11 4PX -0.00004 0.00031 0.18135 -0.00005 -0.00007 12 4PY 0.00003 -0.00008 -0.06128 0.00001 0.00005 13 4PZ 0.06174 0.07817 -0.00014 0.05037 0.06770 14 5XX 0.00000 0.00000 -0.00116 0.00000 -0.00002 15 5YY 0.00001 -0.00003 -0.02042 0.00001 0.00002 16 5ZZ 0.00001 0.00004 0.01840 -0.00001 -0.00001 17 5XY 0.00002 -0.00008 -0.05077 0.00001 0.00000 18 5XZ 0.00997 0.02500 -0.00003 0.03584 0.02703 19 5YZ -0.04114 -0.02752 0.00004 0.03154 0.00263 20 2 Al 1S 0.00000 0.00000 0.00070 0.00000 0.00000 21 2S -0.00001 -0.00001 -0.00112 0.00000 0.00000 22 2PX 0.00000 0.00001 0.00875 0.00000 0.00000 23 2PY 0.00001 0.00001 0.00814 0.00000 0.00000 24 2PZ -0.02537 -0.00435 0.00001 -0.01596 -0.00288 25 3S -0.00001 0.00005 0.01932 -0.00001 -0.00004 26 3PX 0.00000 0.00000 -0.00852 -0.00001 -0.00002 27 3PY -0.00002 -0.00004 -0.02649 -0.00001 0.00000 28 3PZ 0.07474 -0.01673 0.00003 0.04519 -0.00830 29 4S 0.00003 0.00050 0.28469 -0.00007 -0.00013 30 4PX 0.00006 0.00030 0.18128 -0.00003 -0.00003 31 4PY -0.00002 -0.00010 -0.06122 0.00001 0.00006 32 4PZ 0.06177 -0.07813 0.00011 0.05046 -0.06766 33 5XX 0.00000 0.00001 0.00117 0.00000 0.00000 34 5YY 0.00000 0.00003 0.02041 0.00001 0.00001 35 5ZZ 0.00001 -0.00003 -0.01840 -0.00001 0.00001 36 5XY 0.00003 0.00009 0.05074 0.00000 -0.00001 37 5XZ -0.00999 0.02499 -0.00004 -0.03586 0.02699 38 5YZ 0.04116 -0.02748 0.00004 -0.03155 0.00260 39 3 Cl 1S 0.00502 0.00000 0.00000 0.00333 0.00000 40 2S -0.02088 0.00000 -0.00001 -0.01369 -0.00001 41 2PX 0.00001 -0.01826 -0.02089 0.00002 -0.03218 42 2PY -0.00002 0.03586 0.01363 0.00001 -0.01714 43 2PZ 0.00730 0.00001 0.00000 0.00509 0.00000 44 3S 0.05610 -0.00001 0.00000 0.03789 0.00002 45 3PX -0.00003 0.04560 0.05345 -0.00006 0.08922 46 3PY 0.00004 -0.10052 -0.03687 -0.00004 0.05309 47 3PZ -0.01862 -0.00002 -0.00001 -0.01302 0.00000 48 4S 0.06392 0.00000 0.00005 0.04235 0.00003 49 4PX 0.00000 0.02111 0.02998 -0.00004 0.02533 50 4PY -0.00001 -0.02896 -0.02490 0.00001 0.00429 51 4PZ -0.04418 -0.00002 0.00000 -0.03328 0.00000 52 5XX -0.00142 0.00000 -0.00001 -0.01214 0.00000 53 5YY -0.00595 0.00000 0.00000 0.00660 0.00000 54 5ZZ 0.00960 0.00000 0.00000 0.00658 0.00000 55 5XY 0.00756 0.00000 -0.00001 -0.00380 0.00000 56 5XZ 0.00000 0.00645 -0.00050 0.00000 0.00835 57 5YZ 0.00000 -0.00819 -0.00151 0.00000 0.00191 58 4 Cl 1S -0.00503 0.00000 0.00000 -0.00332 0.00000 59 2S 0.02090 0.00001 -0.00001 0.01369 0.00001 60 2PX 0.00000 0.01820 -0.02094 -0.00001 0.03218 61 2PY 0.00001 -0.03583 0.01376 -0.00001 0.01716 62 2PZ 0.00730 0.00000 0.00000 0.00508 0.00000 63 3S -0.05616 -0.00002 0.00002 -0.03788 -0.00003 64 3PX 0.00001 -0.04545 0.05358 0.00004 -0.08922 65 3PY -0.00002 0.10044 -0.03724 0.00003 -0.05314 66 3PZ -0.01862 -0.00001 -0.00001 -0.01300 0.00000 67 4S -0.06396 -0.00003 0.00001 -0.04237 -0.00006 68 4PX 0.00000 -0.02100 0.03003 0.00002 -0.02539 69 4PY -0.00001 0.02885 -0.02500 0.00001 -0.00430 70 4PZ -0.04421 -0.00002 0.00001 -0.03329 0.00000 71 5XX 0.00142 0.00000 0.00000 0.01214 0.00001 72 5YY 0.00595 0.00000 0.00000 -0.00660 -0.00001 73 5ZZ -0.00961 0.00000 0.00000 -0.00658 -0.00001 74 5XY -0.00755 0.00000 0.00000 0.00381 0.00000 75 5XZ 0.00000 0.00646 0.00048 -0.00001 0.00834 76 5YZ 0.00000 -0.00819 0.00154 0.00000 0.00191 77 5 Cl 1S 0.00000 0.00000 0.00035 0.00000 0.00000 78 2S 0.00000 0.00000 -0.00088 0.00000 0.00000 79 2PX 0.00006 -0.00027 -0.17569 0.00000 -0.00004 80 2PY -0.00004 -0.00009 -0.02054 0.00001 -0.00001 81 2PZ -0.18953 -0.19342 0.00033 0.04265 0.03685 82 3S -0.00001 0.00000 0.00540 0.00000 0.00001 83 3PX -0.00016 0.00068 0.44944 -0.00001 0.00011 84 3PY 0.00010 0.00024 0.05262 -0.00002 0.00003 85 3PZ 0.48217 0.49296 -0.00084 -0.10743 -0.09302 86 4S 0.00001 0.00000 -0.00727 -0.00002 0.00000 87 4PX -0.00008 0.00035 0.23398 0.00001 0.00007 88 4PY 0.00006 0.00013 0.02709 -0.00002 0.00001 89 4PZ 0.26388 0.27155 -0.00046 -0.07608 -0.06560 90 5XX 0.00000 -0.00001 -0.00380 0.00000 0.00000 91 5YY 0.00000 0.00001 0.00349 0.00000 0.00000 92 5ZZ -0.00001 0.00000 0.00123 0.00000 0.00000 93 5XY -0.00001 0.00002 0.01093 0.00000 0.00000 94 5XZ -0.00312 -0.00235 0.00000 0.00132 0.00111 95 5YZ 0.01442 0.01247 -0.00002 -0.00150 -0.00090 96 6 Cl 1S 0.00000 0.00000 -0.00035 0.00000 0.00000 97 2S 0.00000 0.00000 0.00088 0.00000 0.00000 98 2PX -0.00009 -0.00029 -0.17560 0.00001 0.00000 99 2PY 0.00000 -0.00007 -0.02053 0.00000 0.00001 100 2PZ -0.18964 0.19331 -0.00029 0.04268 -0.03679 101 3S 0.00000 -0.00001 -0.00540 0.00000 0.00000 102 3PX 0.00022 0.00074 0.44921 -0.00002 0.00000 103 3PY 0.00000 0.00018 0.05259 0.00000 -0.00002 104 3PZ 0.48246 -0.49269 0.00075 -0.10752 0.09288 105 4S 0.00001 0.00001 0.00726 0.00000 -0.00001 106 4PX 0.00011 0.00038 0.23387 -0.00001 0.00000 107 4PY 0.00000 0.00010 0.02707 0.00000 -0.00001 108 4PZ 0.26405 -0.27140 0.00041 -0.07614 0.06550 109 5XX 0.00000 0.00001 0.00380 0.00000 0.00000 110 5YY 0.00000 -0.00001 -0.00349 0.00000 0.00000 111 5ZZ 0.00000 0.00000 -0.00123 0.00000 0.00000 112 5XY -0.00001 -0.00002 -0.01092 0.00000 0.00000 113 5XZ 0.00312 -0.00235 0.00000 -0.00132 0.00111 114 5YZ -0.01442 0.01246 -0.00002 0.00150 -0.00090 115 7 Br 1S 0.00000 0.00000 -0.00071 0.00000 0.00000 116 2S 0.00000 0.00001 0.00512 0.00000 0.00000 117 3S 0.00000 -0.00001 -0.00692 0.00000 0.00000 118 4S 0.00000 -0.00002 -0.00959 0.00000 0.00000 119 5S -0.00001 0.00005 0.02679 0.00000 0.00000 120 6S 0.00001 -0.00009 -0.04805 0.00000 0.00000 121 7PX -0.00001 0.00005 0.03314 0.00000 -0.00001 122 7PY 0.00001 -0.00001 -0.00669 0.00001 0.00004 123 7PZ 0.01374 0.01239 -0.00002 0.07330 0.07468 124 8PX 0.00003 -0.00017 -0.10202 0.00001 0.00004 125 8PY -0.00003 0.00002 0.02063 -0.00002 -0.00013 126 8PZ -0.04233 -0.03816 0.00006 -0.22571 -0.23001 127 9PX -0.00006 0.00030 0.18433 -0.00002 -0.00007 128 9PY 0.00005 -0.00004 -0.03790 0.00004 0.00024 129 9PZ 0.07762 0.06997 -0.00011 0.40480 0.41351 130 10PX -0.00004 0.00024 0.14811 -0.00001 -0.00005 131 10PY 0.00004 -0.00002 -0.02501 0.00004 0.00020 132 10PZ 0.05210 0.04808 -0.00008 0.35464 0.36122 133 11XX 0.00000 0.00001 0.00758 0.00000 0.00000 134 11YY 0.00000 0.00000 0.00026 0.00000 0.00000 135 11ZZ 0.00000 0.00000 0.00193 0.00000 0.00000 136 11XY 0.00000 0.00000 0.00085 0.00000 0.00000 137 11XZ 0.00162 0.00121 0.00000 0.00596 0.00482 138 11YZ 0.00128 0.00105 0.00000 0.00236 0.00215 139 12XX 0.00000 0.00000 -0.00136 0.00000 0.00000 140 12YY -0.00001 0.00003 0.01715 0.00000 -0.00001 141 12ZZ 0.00000 0.00002 0.01214 0.00000 0.00000 142 12XY 0.00000 0.00000 -0.00059 0.00000 -0.00001 143 12XZ -0.00337 -0.00300 0.00001 -0.02072 -0.01848 144 12YZ -0.00331 -0.00273 0.00000 -0.00783 -0.00773 145 8 Br 1S 0.00000 0.00000 0.00071 0.00000 0.00000 146 2S 0.00000 -0.00001 -0.00512 0.00000 0.00000 147 3S 0.00000 0.00001 0.00691 0.00000 0.00000 148 4S 0.00000 0.00002 0.00958 0.00000 0.00000 149 5S -0.00002 -0.00004 -0.02677 0.00001 -0.00001 150 6S 0.00005 0.00005 0.04804 -0.00001 0.00003 151 7PX 0.00001 0.00006 0.03312 -0.00001 0.00000 152 7PY -0.00001 -0.00001 -0.00666 -0.00001 0.00002 153 7PZ 0.01374 -0.01238 0.00003 0.07338 -0.07460 154 8PX -0.00005 -0.00018 -0.10195 0.00003 -0.00001 155 8PY 0.00004 0.00002 0.02054 0.00004 -0.00005 156 8PZ -0.04234 0.03813 -0.00008 -0.22596 0.22977 157 9PX 0.00008 0.00032 0.18421 -0.00005 0.00002 158 9PY -0.00007 -0.00003 -0.03774 -0.00007 0.00009 159 9PZ 0.07765 -0.06992 0.00014 0.40526 -0.41307 160 10PX 0.00007 0.00025 0.14802 -0.00004 0.00003 161 10PY -0.00005 -0.00002 -0.02487 -0.00006 0.00008 162 10PZ 0.05211 -0.04805 0.00011 0.35503 -0.36084 163 11XX 0.00000 -0.00001 -0.00757 0.00000 0.00000 164 11YY 0.00000 0.00000 -0.00027 0.00000 0.00000 165 11ZZ 0.00000 0.00000 -0.00192 0.00000 0.00000 166 11XY 0.00000 0.00000 -0.00085 0.00000 0.00000 167 11XZ -0.00162 0.00121 0.00000 -0.00596 0.00481 168 11YZ -0.00128 0.00105 0.00000 -0.00237 0.00215 169 12XX 0.00000 0.00001 0.00135 0.00000 0.00000 170 12YY -0.00001 -0.00002 -0.01714 0.00000 0.00000 171 12ZZ -0.00001 -0.00002 -0.01213 0.00001 -0.00001 172 12XY 0.00000 0.00000 0.00059 0.00000 0.00000 173 12XZ 0.00337 -0.00300 0.00001 0.02074 -0.01846 174 12YZ 0.00331 -0.00272 0.00000 0.00784 -0.00773 81 82 83 84 85 O O V V V Eigenvalues -- -0.30137 -0.30132 -0.05755 -0.00324 -0.00103 1 1 Al 1S -0.00012 -0.00124 0.02965 -0.00044 0.00003 2 2S 0.00206 -0.00024 -0.16164 0.00317 0.00024 3 2PX 0.00588 0.00267 -0.09167 -0.08031 0.00069 4 2PY 0.00267 -0.00471 0.03828 -0.16000 0.00128 5 2PZ 0.00000 0.00000 0.00002 -0.00096 -0.11946 6 3S 0.00589 -0.04789 0.33218 0.00459 0.00257 7 3PX -0.02013 -0.00023 0.41401 0.33142 -0.00263 8 3PY -0.00025 0.01680 -0.18615 0.63942 -0.00528 9 3PZ 0.00000 0.00001 -0.00012 0.00445 0.55720 10 4S 0.19682 0.04207 0.25780 -0.13362 -0.00415 11 4PX -0.08027 -0.03524 0.22143 0.42642 -0.00204 12 4PY 0.10502 0.07937 -0.11599 0.86970 -0.00759 13 4PZ -0.00002 -0.00003 -0.00013 0.00495 0.62201 14 5XX -0.01086 -0.02710 -0.14550 -0.08941 0.00040 15 5YY 0.01678 0.03990 -0.06145 0.08689 -0.00132 16 5ZZ -0.00570 -0.00019 0.18903 -0.01115 0.00016 17 5XY 0.01146 -0.00579 0.05797 -0.07060 0.00037 18 5XZ -0.00001 -0.00001 0.00001 0.00056 0.07009 19 5YZ 0.00000 -0.00001 0.00002 -0.00025 -0.02679 20 2 Al 1S 0.00037 -0.00119 0.02965 -0.00044 0.00004 21 2S -0.00197 -0.00066 -0.16165 0.00306 0.00012 22 2PX 0.00630 -0.00140 0.09167 0.08043 -0.00050 23 2PY 0.00164 0.00516 -0.03833 0.15994 -0.00136 24 2PZ 0.00000 0.00000 0.00001 -0.00094 -0.11946 25 3S 0.00412 -0.04806 0.33217 0.00428 0.00203 26 3PX -0.01975 -0.00393 -0.41400 -0.33185 0.00196 27 3PY 0.00323 -0.01651 0.18638 -0.63918 0.00550 28 3PZ 0.00000 0.00002 -0.00003 0.00438 0.55721 29 4S -0.20127 0.00057 0.25796 -0.13169 -0.00258 30 4PX -0.08584 0.01794 -0.22141 -0.42636 0.00148 31 4PY 0.11910 -0.05600 0.11599 -0.86966 0.00791 32 4PZ 0.00004 0.00001 0.00006 0.00468 0.62216 33 5XX 0.01622 -0.02428 -0.14546 -0.08940 0.00042 34 5YY -0.02466 0.03558 -0.06149 0.08682 -0.00128 35 5ZZ 0.00562 0.00099 0.18904 -0.01099 0.00028 36 5XY -0.01002 -0.00803 0.05799 -0.07065 0.00034 37 5XZ 0.00000 -0.00001 -0.00001 -0.00054 -0.07009 38 5YZ 0.00000 0.00001 -0.00005 0.00024 0.02683 39 3 Cl 1S 0.00010 -0.00095 -0.00816 0.00129 0.01969 40 2S -0.00044 0.00424 0.03217 -0.00614 -0.08652 41 2PX 0.01609 0.00169 0.00001 -0.00003 -0.00003 42 2PY 0.01763 0.00184 0.00000 0.00004 0.00003 43 2PZ -0.00020 0.00197 -0.03074 0.00342 0.02121 44 3S 0.00106 -0.01025 -0.10408 0.01390 0.22083 45 3PX -0.04365 -0.00457 -0.00003 0.00007 0.00011 46 3PY -0.05075 -0.00530 -0.00001 -0.00011 -0.00010 47 3PZ 0.00056 -0.00542 0.09607 -0.00920 -0.04652 48 4S 0.00228 -0.02197 0.10776 0.07849 0.85465 49 4PX -0.03584 -0.00375 -0.00005 -0.00004 -0.00003 50 4PY -0.02401 -0.00251 -0.00010 -0.00004 -0.00001 51 4PZ -0.00130 0.01254 0.24599 0.00767 -0.01520 52 5XX -0.00028 0.00271 0.10501 0.11374 -0.06541 53 5YY -0.00005 0.00045 0.00904 -0.11945 0.00110 54 5ZZ 0.00022 -0.00214 -0.10750 0.00361 0.06770 55 5XY -0.00075 0.00723 -0.06941 0.09825 0.04423 56 5XZ -0.00165 -0.00017 -0.00001 0.00006 0.00005 57 5YZ -0.00455 -0.00047 0.00004 -0.00004 -0.00005 58 4 Cl 1S 0.00010 -0.00095 -0.00816 0.00098 -0.01957 59 2S -0.00044 0.00424 0.03215 -0.00477 0.08609 60 2PX 0.01606 0.00167 -0.00001 -0.00002 -0.00005 61 2PY 0.01762 0.00183 0.00002 0.00001 0.00002 62 2PZ 0.00021 -0.00197 0.03074 -0.00309 0.02133 63 3S 0.00106 -0.01023 -0.10404 0.01037 -0.21938 64 3PX -0.04358 -0.00452 0.00002 0.00005 0.00015 65 3PY -0.05071 -0.00527 -0.00004 -0.00002 -0.00006 66 3PZ -0.00057 0.00542 -0.09607 0.00849 -0.04698 67 4S 0.00229 -0.02201 0.10792 0.06522 -0.85081 68 4PX -0.03582 -0.00373 -0.00004 -0.00001 0.00002 69 4PY -0.02401 -0.00250 -0.00007 0.00003 0.00004 70 4PZ 0.00131 -0.01251 -0.24600 -0.00792 -0.01486 71 5XX -0.00028 0.00271 0.10501 0.11474 0.06384 72 5YY -0.00005 0.00045 0.00902 -0.11943 0.00041 73 5ZZ 0.00022 -0.00214 -0.10748 0.00252 -0.06760 74 5XY -0.00075 0.00723 -0.06939 0.09751 -0.04640 75 5XZ 0.00165 0.00017 -0.00004 -0.00004 -0.00007 76 5YZ 0.00455 0.00047 -0.00001 0.00000 0.00004 77 5 Cl 1S 0.00080 0.00076 -0.00995 0.01223 -0.00006 78 2S -0.00438 -0.00359 0.04514 -0.06301 0.00035 79 2PX -0.05156 -0.08892 0.00627 0.03336 -0.00012 80 2PY -0.02566 -0.04496 0.07612 -0.05689 0.00039 81 2PZ 0.00000 0.00000 -0.00003 0.00048 0.05756 82 3S 0.00637 0.00734 -0.10696 0.11498 -0.00056 83 3PX 0.13165 0.22762 -0.01377 -0.08719 0.00031 84 3PY 0.06622 0.11631 -0.20245 0.15423 -0.00108 85 3PZ 0.00000 0.00000 0.00008 -0.00129 -0.15389 86 4S 0.03144 0.02644 -0.18637 0.48423 -0.00307 87 4PX 0.07816 0.13261 -0.04144 -0.13682 0.00063 88 4PY 0.03689 0.06225 -0.22413 0.26001 -0.00155 89 4PZ 0.00000 0.00000 0.00009 -0.00147 -0.17094 90 5XX -0.00329 -0.00338 -0.00923 -0.00467 -0.00001 91 5YY 0.00160 0.00258 0.02433 -0.02181 0.00022 92 5ZZ -0.00068 -0.00040 -0.00336 -0.00383 0.00000 93 5XY -0.00009 0.00151 0.00333 0.02300 -0.00014 94 5XZ 0.00000 0.00000 0.00000 -0.00002 -0.00191 95 5YZ 0.00000 0.00000 -0.00001 0.00028 0.03321 96 6 Cl 1S -0.00094 0.00058 -0.00995 0.01222 -0.00008 97 2S 0.00502 -0.00261 0.04516 -0.06295 0.00044 98 2PX -0.06880 0.07633 -0.00627 -0.03339 0.00009 99 2PY -0.03438 0.03869 -0.07615 0.05683 -0.00046 100 2PZ 0.00000 0.00002 -0.00001 0.00046 0.05757 101 3S -0.00775 0.00586 -0.10699 0.11485 -0.00076 102 3PX 0.17579 -0.19546 0.01377 0.08726 -0.00022 103 3PY 0.08878 -0.10012 0.20251 -0.15407 0.00127 104 3PZ 0.00000 -0.00005 0.00003 -0.00123 -0.15390 105 4S -0.03621 0.01938 -0.18644 0.48378 -0.00363 106 4PX 0.10385 -0.11359 0.04143 0.13685 -0.00053 107 4PY 0.04893 -0.05328 0.22421 -0.25968 0.00192 108 4PZ 0.00000 -0.00003 0.00002 -0.00137 -0.17097 109 5XX 0.00392 -0.00262 -0.00923 -0.00467 -0.00002 110 5YY -0.00210 0.00219 0.02434 -0.02178 0.00024 111 5ZZ 0.00075 -0.00025 -0.00336 -0.00382 0.00002 112 5XY -0.00023 0.00150 0.00333 0.02302 -0.00011 113 5XZ 0.00000 0.00000 0.00000 0.00002 0.00191 114 5YZ 0.00000 0.00000 0.00001 -0.00026 -0.03321 115 7 Br 1S 0.00030 0.00025 0.00680 0.00651 -0.00008 116 2S -0.00182 -0.00165 -0.04490 -0.04216 0.00051 117 3S 0.00187 0.00199 0.05318 0.04816 -0.00060 118 4S 0.00433 0.00346 0.09745 0.09547 -0.00113 119 5S 0.00332 -0.00450 -0.06641 0.06779 -0.00028 120 6S -0.02909 -0.00610 -0.22235 -0.64262 0.00602 121 7PX -0.02979 -0.02537 0.02626 0.02377 -0.00026 122 7PY 0.05758 0.07171 0.02069 0.00117 0.00001 123 7PZ -0.00003 -0.00003 0.00000 -0.00019 -0.02327 124 8PX 0.09179 0.07817 -0.08140 -0.07367 0.00081 125 8PY -0.17738 -0.22092 -0.06403 -0.00367 -0.00004 126 8PZ 0.00008 0.00009 -0.00001 0.00058 0.07218 127 9PX -0.16629 -0.14086 0.15263 0.13116 -0.00142 128 9PY 0.32086 0.40002 0.11491 0.00856 0.00007 129 9PZ -0.00015 -0.00016 0.00001 -0.00108 -0.13395 130 10PX -0.13424 -0.11812 0.21278 0.31364 -0.00351 131 10PY 0.27047 0.33659 0.19632 0.03573 -0.00028 132 10PZ -0.00013 -0.00014 0.00003 -0.00164 -0.20268 133 11XX -0.00341 -0.00355 -0.03024 -0.03776 0.00043 134 11YY 0.00143 0.00166 -0.02344 -0.00995 0.00016 135 11ZZ -0.00043 -0.00086 -0.01827 -0.01703 0.00023 136 11XY 0.00316 0.00428 -0.01327 -0.00290 -0.00001 137 11XZ 0.00000 0.00000 0.00000 0.00014 0.01800 138 11YZ 0.00000 0.00000 0.00000 0.00009 0.01106 139 12XX 0.01295 0.00906 0.01684 0.08906 -0.00070 140 12YY -0.00471 -0.01009 -0.00113 0.02621 -0.00013 141 12ZZ 0.00137 -0.00204 -0.00679 0.04929 -0.00038 142 12XY -0.01157 -0.01467 0.02905 -0.00021 0.00013 143 12XZ 0.00001 0.00001 0.00000 -0.00039 -0.04879 144 12YZ 0.00000 0.00000 0.00000 -0.00026 -0.03286 145 8 Br 1S -0.00034 0.00018 0.00680 0.00651 -0.00007 146 2S 0.00212 -0.00124 -0.04490 -0.04221 0.00043 147 3S -0.00224 0.00156 0.05318 0.04821 -0.00051 148 4S -0.00495 0.00249 0.09745 0.09559 -0.00095 149 5S -0.00232 -0.00508 -0.06642 0.06786 -0.00027 150 6S 0.02972 0.00001 -0.22233 -0.64334 0.00518 151 7PX -0.03440 0.01870 -0.02625 -0.02378 0.00024 152 7PY 0.07113 -0.05828 -0.02070 -0.00120 -0.00004 153 7PZ 0.00003 0.00001 -0.00001 -0.00018 -0.02327 154 8PX 0.10599 -0.05760 0.08137 0.07371 -0.00075 155 8PY -0.21913 0.17956 0.06406 0.00377 0.00013 156 8PZ -0.00009 -0.00003 0.00002 0.00057 0.07218 157 9PX -0.19186 0.10361 -0.15258 -0.13120 0.00133 158 9PY 0.39645 -0.32519 -0.11496 -0.00874 -0.00024 159 9PZ 0.00016 0.00006 -0.00003 -0.00106 -0.13396 160 10PX -0.15579 0.08795 -0.21271 -0.31389 0.00318 161 10PY 0.33406 -0.27352 -0.19638 -0.03609 -0.00008 162 10PZ 0.00014 0.00005 -0.00006 -0.00163 -0.20271 163 11XX 0.00407 -0.00278 -0.03023 -0.03778 0.00040 164 11YY -0.00175 0.00133 -0.02345 -0.00998 0.00011 165 11ZZ 0.00059 -0.00075 -0.01827 -0.01705 0.00019 166 11XY -0.00397 0.00354 -0.01327 -0.00292 -0.00002 167 11XZ 0.00000 0.00000 0.00000 -0.00014 -0.01799 168 11YZ 0.00000 0.00000 0.00000 -0.00009 -0.01106 169 12XX -0.01455 0.00620 0.01681 0.08910 -0.00068 170 12YY 0.00670 -0.00890 -0.00112 0.02630 -0.00005 171 12ZZ -0.00092 -0.00228 -0.00679 0.04938 -0.00029 172 12XY 0.01434 -0.01196 0.02906 -0.00014 0.00017 173 12XZ 0.00001 0.00000 0.00001 0.00038 0.04878 174 12YZ 0.00000 0.00000 0.00000 0.00025 0.03287 86 87 88 89 90 V V V V V Eigenvalues -- -0.00055 0.01996 0.03039 0.04338 0.04825 1 1 Al 1S -0.00837 -0.00004 0.00486 0.00000 0.00033 2 2S -0.06424 0.07506 0.00354 -0.00030 0.13881 3 2PX 0.00907 0.11970 -0.05988 -0.00009 0.02523 4 2PY -0.01399 -0.03890 -0.14028 0.00004 -0.02375 5 2PZ -0.00042 0.00008 -0.00001 0.01926 0.00003 6 3S -0.67449 0.37908 0.21037 -0.00132 0.67727 7 3PX -0.08311 -0.45278 0.34674 0.00102 -0.48054 8 3PY 0.07853 0.11096 0.78392 -0.00049 0.29158 9 3PZ 0.00196 -0.00039 0.00005 -0.11965 -0.00015 10 4S 1.28663 -1.02505 -0.14385 -0.00116 0.95898 11 4PX -0.47404 -0.43327 -0.24284 -0.00142 0.90965 12 4PY 0.22549 0.29217 -0.16353 0.00018 -0.21170 13 4PZ 0.00208 -0.00029 -0.00022 1.32405 0.00240 14 5XX 0.08503 -0.01742 -0.20555 -0.00019 0.11207 15 5YY 0.17301 -0.03264 0.18286 0.00023 -0.10965 16 5ZZ -0.02953 -0.06849 -0.02483 0.00024 -0.12144 17 5XY 0.06414 0.04163 -0.15573 0.00031 -0.18001 18 5XZ 0.00024 -0.00003 -0.00001 0.14307 0.00024 19 5YZ -0.00003 -0.00003 0.00004 -0.07155 -0.00009 20 2 Al 1S -0.00837 0.00004 -0.00489 0.00000 0.00035 21 2S -0.06424 -0.07496 -0.00358 -0.00025 0.13883 22 2PX -0.00896 0.11960 -0.05993 -0.00001 -0.02528 23 2PY 0.01418 -0.03904 -0.14027 -0.00007 0.02378 24 2PZ -0.00041 0.00008 0.00000 -0.01927 -0.00004 25 3S -0.67452 -0.37863 -0.21174 -0.00123 0.67801 26 3PX 0.08258 -0.45221 0.34698 -0.00065 0.48077 27 3PY -0.07950 0.11144 0.78386 0.00068 -0.29165 28 3PZ 0.00194 -0.00037 0.00004 0.11970 0.00019 29 4S 1.28668 1.02524 0.14592 -0.00161 0.95844 30 4PX 0.47409 -0.43306 -0.24232 0.00184 -0.90894 31 4PY -0.22535 0.29345 -0.16383 -0.00013 0.21181 32 4PZ 0.00223 -0.00091 0.00007 -1.32398 -0.00242 33 5XX 0.08477 0.01757 0.20571 -0.00018 0.11206 34 5YY 0.17326 0.03248 -0.18262 0.00019 -0.10971 35 5ZZ -0.02952 0.06841 0.02479 0.00021 -0.12152 36 5XY 0.06392 -0.04169 0.15582 0.00035 -0.17998 37 5XZ -0.00028 0.00010 -0.00001 0.14311 0.00021 38 5YZ 0.00008 -0.00003 -0.00003 -0.07145 -0.00013 39 3 Cl 1S -0.01880 -0.00001 -0.00001 0.00000 -0.00223 40 2S 0.07501 0.00007 0.00004 -0.00004 0.02535 41 2PX -0.00002 -0.05042 0.03114 -0.06235 -0.00010 42 2PY -0.00006 0.02070 0.06229 0.03033 0.00006 43 2PZ 0.00934 -0.00002 0.00000 0.00004 -0.02193 44 3S -0.23715 -0.00015 -0.00015 -0.00005 0.02325 45 3PX 0.00005 0.15347 -0.09220 0.17134 0.00028 46 3PY 0.00018 -0.06429 -0.18662 -0.08251 -0.00016 47 3PZ -0.04464 0.00005 0.00000 -0.00012 0.06550 48 4S -0.70854 -0.00094 -0.00057 0.00138 -0.84895 49 4PX 0.00018 0.01912 -0.28203 -0.01709 0.00001 50 4PY 0.00033 0.06020 -0.45102 0.00898 0.00005 51 4PZ 0.04393 -0.00015 -0.00005 0.00128 -0.70829 52 5XX -0.03146 -0.00002 -0.00003 0.00010 -0.04865 53 5YY 0.05852 0.00005 -0.00001 0.00016 -0.07914 54 5ZZ -0.02481 -0.00003 0.00004 -0.00025 0.12263 55 5XY 0.08595 -0.00009 0.00004 0.00000 -0.00286 56 5XZ -0.00004 0.05175 0.10471 0.07694 0.00010 57 5YZ -0.00008 -0.05251 0.15996 -0.03964 -0.00010 58 4 Cl 1S -0.01894 0.00002 -0.00001 0.00000 -0.00223 59 2S 0.07561 -0.00007 0.00003 -0.00003 0.02535 60 2PX -0.00004 -0.05039 0.03113 0.06241 0.00012 61 2PY -0.00004 0.02066 0.06229 -0.03029 -0.00005 62 2PZ -0.00920 -0.00002 0.00000 -0.00004 0.02193 63 3S -0.23866 0.00021 -0.00012 -0.00009 0.02322 64 3PX 0.00011 0.15340 -0.09218 -0.17150 -0.00034 65 3PY 0.00013 -0.06418 -0.18663 0.08238 0.00015 66 3PZ 0.04432 0.00004 0.00000 0.00012 -0.06549 67 4S -0.71452 0.00057 -0.00049 0.00131 -0.84890 68 4PX 0.00015 0.01912 -0.28198 0.01693 0.00013 69 4PY 0.00035 0.06021 -0.45101 -0.00920 -0.00009 70 4PZ -0.04400 0.00022 0.00004 -0.00129 0.70825 71 5XX -0.03098 -0.00014 -0.00005 0.00009 -0.04863 72 5YY 0.05849 0.00004 0.00003 0.00018 -0.07915 73 5ZZ -0.02527 0.00010 0.00002 -0.00025 0.12261 74 5XY 0.08565 -0.00002 0.00004 -0.00002 -0.00285 75 5XZ 0.00004 -0.05171 -0.10472 0.07694 0.00020 76 5YZ 0.00010 0.05248 -0.15994 -0.03970 -0.00009 77 5 Cl 1S -0.00781 0.01344 0.00104 0.00000 -0.00421 78 2S 0.03586 -0.06504 -0.00651 0.00000 0.02364 79 2PX -0.04581 -0.02672 -0.00507 -0.00007 0.04619 80 2PY 0.01264 -0.04638 -0.01930 0.00004 -0.00587 81 2PZ 0.00018 -0.00002 0.00000 0.05115 0.00009 82 3S -0.08291 0.13676 0.00832 -0.00001 -0.03519 83 3PX 0.12147 0.07135 0.01326 0.00018 -0.12145 84 3PY -0.02833 0.11779 0.05287 -0.00011 0.02087 85 3PZ -0.00049 0.00005 -0.00002 -0.13532 -0.00025 86 4S -0.17046 0.42202 0.07766 0.00016 -0.27680 87 4PX 0.14955 0.06870 0.01313 0.00026 -0.15768 88 4PY -0.12126 0.27037 0.10967 -0.00006 -0.08051 89 4PZ -0.00056 0.00003 0.00001 -0.19790 -0.00032 90 5XX 0.01507 0.00205 0.00411 -0.00001 0.00533 91 5YY -0.01127 -0.01772 -0.01945 0.00003 -0.00702 92 5ZZ 0.00338 -0.00877 0.00713 -0.00003 0.01634 93 5XY -0.01804 -0.02284 0.00948 -0.00005 0.03603 94 5XZ 0.00000 0.00001 -0.00001 0.00395 0.00000 95 5YZ 0.00011 -0.00001 0.00000 0.02873 0.00006 96 6 Cl 1S -0.00781 -0.01346 -0.00105 0.00001 -0.00421 97 2S 0.03585 0.06511 0.00655 -0.00003 0.02362 98 2PX 0.04579 -0.02672 -0.00502 0.00011 -0.04616 99 2PY -0.01261 -0.04642 -0.01929 -0.00001 0.00588 100 2PZ 0.00020 -0.00006 0.00000 -0.05113 -0.00009 101 3S -0.08288 -0.13689 -0.00839 0.00004 -0.03518 102 3PX -0.12143 0.07135 0.01313 -0.00028 0.12138 103 3PY 0.02824 0.11792 0.05283 0.00003 -0.02088 104 3PZ -0.00053 0.00017 0.00001 0.13528 0.00024 105 4S -0.17040 -0.42265 -0.07794 0.00043 -0.27667 106 4PX -0.14950 0.06862 0.01296 -0.00035 0.15755 107 4PY 0.12113 0.27065 0.10980 -0.00012 0.08042 108 4PZ -0.00059 0.00023 0.00000 0.19788 0.00037 109 5XX 0.01507 -0.00205 -0.00408 0.00000 0.00533 110 5YY -0.01129 0.01774 0.01942 0.00001 -0.00702 111 5ZZ 0.00339 0.00878 -0.00712 -0.00003 0.01633 112 5XY -0.01802 0.02283 -0.00950 -0.00008 0.03601 113 5XZ 0.00000 0.00000 0.00000 0.00395 0.00001 114 5YZ -0.00012 0.00004 0.00000 0.02872 0.00005 115 7 Br 1S 0.00566 -0.00851 -0.00114 0.00000 0.00460 116 2S -0.03915 0.05516 0.00787 0.00002 -0.02770 117 3S 0.05000 -0.06328 -0.01020 -0.00001 0.02742 118 4S 0.07933 -0.12407 -0.01534 -0.00005 0.06992 119 5S -0.08089 -0.00544 -0.00347 -0.00033 0.15019 120 6S -0.12476 0.58878 0.10020 0.00127 -0.80966 121 7PX 0.01838 -0.01103 0.00610 0.00002 -0.00905 122 7PY -0.01072 -0.02201 0.00323 -0.00002 0.01359 123 7PZ -0.00008 0.00001 0.00000 -0.02066 -0.00004 124 8PX -0.05690 0.03405 -0.01897 -0.00007 0.02832 125 8PY 0.03327 0.06819 -0.01010 0.00006 -0.04201 126 8PZ 0.00026 -0.00005 -0.00001 0.06408 0.00011 127 9PX 0.09663 -0.05161 0.04131 0.00015 -0.06588 128 9PY -0.06567 -0.11975 0.02449 -0.00010 0.06847 129 9PZ -0.00047 0.00009 0.00001 -0.11557 -0.00020 130 10PX 0.23907 -0.23091 0.04415 0.00000 0.07348 131 10PY -0.05598 -0.26922 0.01307 -0.00028 0.21868 132 10PZ -0.00071 0.00013 0.00004 -0.23202 -0.00043 133 11XX -0.03142 0.02281 -0.00973 -0.00003 0.00907 134 11YY -0.01525 0.03558 0.00928 0.00002 -0.02428 135 11ZZ -0.02227 0.02616 0.01413 0.00002 -0.01962 136 11XY 0.01156 0.01534 -0.00774 0.00000 -0.00381 137 11XZ 0.00006 -0.00001 0.00000 0.01388 0.00002 138 11YZ 0.00004 -0.00001 0.00000 0.01329 0.00002 139 12XX -0.00836 -0.01698 0.04098 -0.00004 0.01772 140 12YY -0.03619 -0.06603 -0.01311 -0.00023 0.12954 141 12ZZ -0.01503 -0.04701 -0.03400 -0.00022 0.11982 142 12XY -0.04431 -0.03532 0.02398 -0.00001 0.00807 143 12XZ -0.00018 0.00004 0.00000 -0.03674 -0.00006 144 12YZ -0.00011 0.00002 0.00000 -0.04198 -0.00008 145 8 Br 1S 0.00567 0.00850 0.00115 -0.00001 0.00459 146 2S -0.03917 -0.05511 -0.00791 0.00006 -0.02766 147 3S 0.05002 0.06322 0.01024 -0.00007 0.02737 148 4S 0.07937 0.12394 0.01541 -0.00016 0.06982 149 5S -0.08089 0.00540 0.00351 -0.00025 0.15007 150 6S -0.12498 -0.58808 -0.10064 0.00155 -0.80877 151 7PX -0.01839 -0.01099 0.00609 -0.00001 0.00906 152 7PY 0.01071 -0.02202 0.00325 0.00003 -0.01359 153 7PZ -0.00008 0.00002 0.00000 0.02066 0.00003 154 8PX 0.05696 0.03393 -0.01896 0.00004 -0.02834 155 8PY -0.03325 0.06822 -0.01016 -0.00008 0.04201 156 8PZ 0.00026 -0.00006 -0.00001 -0.06407 -0.00011 157 9PX -0.09673 -0.05140 0.04131 -0.00009 0.06589 158 9PY 0.06562 -0.11981 0.02461 0.00013 -0.06847 159 9PZ -0.00049 0.00012 0.00002 0.11557 0.00020 160 10PX -0.23927 -0.23042 0.04393 0.00019 -0.07322 161 10PY 0.05587 -0.26929 0.01317 0.00040 -0.21857 162 10PZ -0.00074 0.00017 0.00000 0.23199 0.00036 163 11XX -0.03145 -0.02274 0.00972 -0.00001 0.00908 164 11YY -0.01525 -0.03558 -0.00929 0.00005 -0.02426 165 11ZZ -0.02227 -0.02614 -0.01416 0.00004 -0.01959 166 11XY 0.01155 -0.01534 0.00777 0.00001 -0.00380 167 11XZ -0.00007 0.00002 0.00001 0.01388 0.00003 168 11YZ -0.00004 0.00001 0.00000 0.01329 0.00002 169 12XX -0.00829 0.01684 -0.04096 -0.00004 0.01767 170 12YY -0.03619 0.06605 0.01313 -0.00022 0.12945 171 12ZZ -0.01503 0.04697 0.03407 -0.00023 0.11969 172 12XY -0.04429 0.03532 -0.02407 -0.00002 0.00807 173 12XZ 0.00018 -0.00005 -0.00002 -0.03674 -0.00007 174 12YZ 0.00011 -0.00003 0.00000 -0.04199 -0.00007 91 92 93 94 95 V V V V V Eigenvalues -- 0.06619 0.07131 0.10395 0.13735 0.14493 1 1 Al 1S -0.00102 0.04941 0.00000 0.01244 0.00654 2 2S -0.00366 -0.04294 -0.00002 0.08286 0.01792 3 2PX -0.02519 -0.03088 0.00000 0.10891 -0.06271 4 2PY -0.04136 0.02986 0.00003 -0.05620 -0.08703 5 2PZ -0.00001 -0.00001 -0.14197 -0.00001 -0.00003 6 3S -0.06055 1.69883 -0.00017 0.87995 0.35277 7 3PX 0.11926 0.05421 0.00001 -0.55324 0.30184 8 3PY 0.20683 -0.14609 -0.00017 0.30635 0.55129 9 3PZ 0.00004 0.00008 0.94216 0.00002 0.00023 10 4S -0.09620 -1.00334 0.00060 -7.45599 -0.22793 11 4PX 0.62912 -0.01685 -0.00010 3.87576 -1.31213 12 4PY 0.92119 0.01849 0.00036 -2.03403 -2.23513 13 4PZ -0.00045 -0.00007 -0.81677 -0.00049 0.00000 14 5XX -0.05398 -0.01817 0.00004 -0.02732 0.00278 15 5YY 0.06641 -0.06041 0.00000 -0.02525 0.04202 16 5ZZ 0.00521 -0.15643 0.00002 -0.10662 -0.11680 17 5XY -0.04729 0.03976 0.00001 -0.02835 -0.08912 18 5XZ -0.00004 -0.00002 0.10062 -0.00003 0.00002 19 5YZ -0.00003 0.00003 -0.03223 -0.00003 0.00010 20 2 Al 1S 0.00101 -0.04941 0.00000 -0.01243 0.00656 21 2S 0.00359 0.04299 0.00001 -0.08283 0.01800 22 2PX -0.02520 -0.03087 -0.00001 0.10895 0.06259 23 2PY -0.04138 0.02989 0.00000 -0.05614 0.08707 24 2PZ 0.00001 -0.00001 -0.14197 -0.00001 -0.00002 25 3S 0.05991 -1.69838 0.00016 -0.87950 0.35393 26 3PX 0.11916 0.05428 0.00002 -0.55339 -0.30124 27 3PY 0.20699 -0.14637 0.00001 0.30592 -0.55146 28 3PZ -0.00005 0.00009 0.94220 0.00003 0.00015 29 4S 0.09648 1.00342 -0.00064 7.45603 -0.23527 30 4PX 0.62984 -0.01703 -0.00030 3.87697 1.30854 31 4PY 0.92124 0.01882 -0.00008 -2.03206 2.23714 32 4PZ 0.00046 0.00001 -0.81677 -0.00043 0.00011 33 5XX 0.05395 0.01814 -0.00003 0.02729 0.00277 34 5YY -0.06635 0.06037 -0.00003 0.02528 0.04194 35 5ZZ -0.00512 0.15641 0.00002 0.10654 -0.11691 36 5XY 0.04738 -0.03986 0.00003 0.02826 -0.08910 37 5XZ 0.00000 0.00001 -0.10058 0.00004 -0.00005 38 5YZ 0.00004 -0.00001 0.03230 0.00005 -0.00008 39 3 Cl 1S 0.00000 0.00000 0.00263 0.00000 -0.00343 40 2S 0.00001 0.00000 -0.01368 0.00001 0.00795 41 2PX 0.04433 0.04446 0.00000 -0.02693 0.00000 42 2PY 0.08232 -0.02693 0.00000 0.01041 -0.00002 43 2PZ 0.00000 -0.00001 -0.07929 0.00000 0.01098 44 3S -0.00003 0.00001 0.00950 0.00001 -0.05577 45 3PX -0.12978 -0.12517 0.00000 0.07623 -0.00001 46 3PY -0.24020 0.07451 0.00000 -0.02730 0.00006 47 3PZ 0.00000 0.00003 0.26971 0.00001 -0.03221 48 4S -0.00022 -0.00001 0.30986 -0.00030 -0.00872 49 4PX -0.24452 -0.36815 0.00000 -0.02690 0.00000 50 4PY -0.50700 0.28703 -0.00002 -0.00344 -0.00012 51 4PZ 0.00007 -0.00002 0.31817 -0.00020 -0.15923 52 5XX 0.00002 0.00000 -0.09563 0.00002 -0.01779 53 5YY 0.00001 0.00000 0.03684 -0.00003 -0.05210 54 5ZZ -0.00002 -0.00001 0.10240 0.00002 0.05191 55 5XY 0.00001 -0.00001 0.09396 0.00000 0.03658 56 5XZ 0.01873 0.10748 0.00001 0.11464 -0.00003 57 5YZ 0.04821 -0.08807 -0.00002 -0.04779 0.00003 58 4 Cl 1S 0.00000 0.00000 -0.00262 0.00000 -0.00343 59 2S 0.00001 0.00001 0.01368 0.00001 0.00797 60 2PX 0.04432 0.04446 0.00000 -0.02693 0.00002 61 2PY 0.08232 -0.02692 0.00000 0.01039 0.00001 62 2PZ 0.00001 0.00000 -0.07929 0.00000 -0.01098 63 3S -0.00003 0.00002 -0.00949 -0.00005 -0.05571 64 3PX -0.12974 -0.12517 0.00000 0.07626 -0.00006 65 3PY -0.24019 0.07447 -0.00001 -0.02723 -0.00004 66 3PZ -0.00001 0.00001 0.26970 -0.00001 0.03222 67 4S -0.00009 -0.00024 -0.30981 -0.00005 -0.00944 68 4PX -0.24447 -0.36814 0.00005 -0.02689 0.00003 69 4PY -0.50703 0.28704 -0.00001 -0.00352 -0.00005 70 4PZ -0.00016 0.00024 0.31813 0.00005 0.15952 71 5XX -0.00001 0.00000 0.09563 -0.00005 -0.01770 72 5YY 0.00005 -0.00003 -0.03682 0.00001 -0.05218 73 5ZZ -0.00003 0.00003 -0.10242 0.00003 0.05192 74 5XY -0.00001 0.00000 -0.09399 0.00000 0.03659 75 5XZ -0.01877 -0.10748 -0.00002 -0.11464 0.00006 76 5YZ -0.04819 0.08807 0.00001 0.04778 -0.00003 77 5 Cl 1S 0.01079 -0.00578 0.00000 -0.00505 -0.00814 78 2S -0.05092 0.01930 0.00000 0.01105 0.04653 79 2PX 0.04201 -0.00415 0.00000 0.03061 0.00618 80 2PY -0.00432 0.05831 0.00002 -0.01396 -0.02645 81 2PZ 0.00001 -0.00003 -0.00770 -0.00001 -0.00002 82 3S 0.11468 -0.08170 -0.00002 -0.08612 -0.06747 83 3PX -0.11429 0.00995 -0.00001 -0.07521 -0.02870 84 3PY 0.00712 -0.16352 -0.00006 0.03663 0.08388 85 3PZ -0.00003 0.00008 0.01997 0.00001 0.00007 86 4S 0.41712 0.09451 0.00008 0.03881 -0.65852 87 4PX -0.16535 0.02734 0.00001 -0.27662 0.14790 88 4PY 0.14337 -0.13289 -0.00005 0.11500 -0.08260 89 4PZ -0.00001 0.00004 0.06837 0.00004 0.00005 90 5XX -0.01895 -0.02232 -0.00001 0.02393 0.01082 91 5YY 0.00555 0.05155 0.00003 -0.03142 -0.01899 92 5ZZ -0.00446 -0.03496 -0.00002 -0.00916 0.03684 93 5XY 0.01549 -0.00812 0.00000 0.01221 0.01583 94 5XZ -0.00001 0.00001 0.00443 -0.00001 0.00000 95 5YZ 0.00000 -0.00003 0.02005 0.00000 0.00000 96 6 Cl 1S -0.01079 0.00578 0.00000 0.00504 -0.00814 97 2S 0.05092 -0.01929 -0.00001 -0.01099 0.04654 98 2PX 0.04204 -0.00417 0.00000 0.03061 -0.00620 99 2PY -0.00431 0.05831 -0.00001 -0.01394 0.02646 100 2PZ 0.00001 0.00001 -0.00769 0.00000 0.00000 101 3S -0.11468 0.08169 0.00001 0.08605 -0.06755 102 3PX -0.11437 0.01001 -0.00001 -0.07521 0.02875 103 3PY 0.00709 -0.16353 0.00002 0.03657 -0.08391 104 3PZ -0.00003 -0.00003 0.01996 0.00000 0.00000 105 4S -0.41718 -0.09463 0.00013 -0.03947 -0.65849 106 4PX -0.16548 0.02738 0.00003 -0.27678 -0.14768 107 4PY 0.14338 -0.13288 -0.00003 0.11514 0.08252 108 4PZ -0.00003 -0.00002 0.06836 0.00003 0.00001 109 5XX 0.01895 0.02232 -0.00001 -0.02392 0.01084 110 5YY -0.00555 -0.05155 0.00001 0.03141 -0.01901 111 5ZZ 0.00446 0.03497 -0.00001 0.00919 0.03682 112 5XY -0.01551 0.00813 0.00000 -0.01221 0.01584 113 5XZ 0.00000 0.00000 -0.00443 0.00000 0.00000 114 5YZ -0.00001 -0.00001 -0.02006 0.00000 0.00000 115 7 Br 1S 0.00823 0.00413 0.00000 0.00217 -0.00550 116 2S -0.05374 -0.03096 -0.00001 -0.01696 0.03461 117 3S 0.06240 0.04405 0.00001 0.02536 -0.03739 118 4S 0.12043 0.05596 0.00001 0.02877 -0.08320 119 5S 0.00986 -0.23463 0.00004 -0.17651 -0.21413 120 6S -0.67235 0.44566 -0.00020 0.26565 1.23337 121 7PX 0.01208 0.01959 0.00000 -0.01303 0.01290 122 7PY -0.01063 0.01035 0.00000 0.00791 0.00894 123 7PZ 0.00001 0.00000 0.00342 0.00000 -0.00001 124 8PX -0.03735 -0.06103 0.00000 0.04035 -0.04064 125 8PY 0.03320 -0.03226 0.00000 -0.02447 -0.02788 126 8PZ -0.00002 0.00000 -0.01060 -0.00001 0.00002 127 9PX 0.05861 0.12156 -0.00002 -0.06273 0.10638 128 9PY -0.07171 0.06429 -0.00001 0.03807 0.05720 129 9PZ 0.00003 -0.00001 0.01774 0.00003 -0.00004 130 10PX 0.27712 0.10789 0.00005 -0.28966 -0.17093 131 10PY -0.01536 0.05323 -0.00001 0.18510 0.03477 132 10PZ 0.00005 0.00000 0.08310 0.00004 0.00000 133 11XX -0.03362 -0.04120 0.00000 0.00052 -0.01106 134 11YY -0.02372 -0.02036 0.00000 -0.02743 0.01496 135 11ZZ -0.02650 -0.00119 -0.00001 -0.00957 0.04529 136 11XY 0.01144 -0.02247 0.00000 0.01755 -0.02235 137 11XZ 0.00000 0.00000 0.00791 0.00000 0.00001 138 11YZ 0.00000 0.00000 0.00984 0.00000 0.00000 139 12XX 0.04788 -0.02919 0.00000 -0.09195 -0.00510 140 12YY 0.03424 -0.08753 0.00003 -0.03332 -0.10426 141 12ZZ 0.03907 -0.15294 0.00004 -0.09023 -0.21006 142 12XY -0.04013 0.06718 -0.00001 -0.06289 0.07087 143 12XZ 0.00001 -0.00001 -0.03385 0.00001 -0.00005 144 12YZ 0.00002 0.00000 -0.04000 0.00002 -0.00001 145 8 Br 1S -0.00823 -0.00413 0.00000 -0.00218 -0.00549 146 2S 0.05377 0.03096 0.00001 0.01700 0.03459 147 3S -0.06243 -0.04405 -0.00001 -0.02541 -0.03736 148 4S -0.12048 -0.05595 -0.00001 -0.02886 -0.08318 149 5S -0.00991 0.23462 0.00008 0.17649 -0.21439 150 6S 0.67278 -0.44567 -0.00020 -0.26501 1.23393 151 7PX 0.01208 0.01959 0.00000 -0.01304 -0.01289 152 7PY -0.01061 0.01035 0.00000 0.00790 -0.00894 153 7PZ 0.00000 0.00000 0.00342 0.00000 0.00000 154 8PX -0.03735 -0.06103 -0.00001 0.04037 0.04062 155 8PY 0.03315 -0.03225 -0.00001 -0.02444 0.02789 156 8PZ 0.00000 -0.00001 -0.01061 -0.00001 0.00000 157 9PX 0.05861 0.12155 0.00002 -0.06279 -0.10636 158 9PY -0.07164 0.06427 0.00002 0.03803 -0.05720 159 9PZ 0.00000 0.00003 0.01777 0.00002 0.00000 160 10PX 0.27718 0.10789 0.00002 -0.28952 0.17120 161 10PY -0.01516 0.05317 0.00001 0.18500 -0.03482 162 10PZ 0.00000 0.00002 0.08310 0.00004 0.00004 163 11XX 0.03363 0.04119 0.00001 -0.00050 -0.01107 164 11YY 0.02373 0.02036 0.00001 0.02744 0.01493 165 11ZZ 0.02651 0.00119 0.00000 0.00961 0.04529 166 11XY -0.01143 0.02246 0.00001 -0.01757 -0.02234 167 11XZ 0.00000 0.00001 -0.00790 0.00000 -0.00001 168 11YZ 0.00000 0.00001 -0.00984 0.00001 -0.00001 169 12XX -0.04791 0.02920 0.00002 0.09196 -0.00521 170 12YY -0.03429 0.08752 0.00003 0.03331 -0.10432 171 12ZZ -0.03911 0.15293 0.00006 0.09015 -0.21021 172 12XY 0.04010 -0.06717 -0.00002 0.06295 0.07082 173 12XZ -0.00001 -0.00003 0.03382 0.00000 0.00004 174 12YZ 0.00001 -0.00002 0.04000 -0.00002 0.00004 96 97 98 99 100 V V V V V Eigenvalues -- 0.15669 0.16735 0.19973 0.22725 0.23757 1 1 Al 1S -0.00001 0.02603 -0.00973 -0.00001 -0.00005 2 2S -0.00002 0.04615 0.03718 -0.00001 -0.00071 3 2PX -0.00004 -0.04051 -0.11190 -0.00004 -0.00009 4 2PY -0.00002 0.06850 0.05677 0.00005 0.00009 5 2PZ -0.01681 0.00000 0.00005 -0.06963 0.19529 6 3S -0.00031 1.23513 -0.17653 -0.00030 -0.00538 7 3PX 0.00023 0.00825 0.82054 0.00040 0.00178 8 3PY 0.00009 -0.29785 -0.39634 -0.00038 -0.00115 9 3PZ 0.14300 0.00003 -0.00061 1.22106 -1.39299 10 4S -0.00040 -0.60231 -8.37107 -0.00332 -0.00032 11 4PX -0.00016 -0.17108 2.87016 0.00138 0.00229 12 4PY -0.00086 1.05358 -1.40386 -0.00028 -0.00124 13 4PZ -0.00931 0.00014 -0.00037 -0.20250 0.25707 14 5XX 0.00000 0.19193 0.01686 -0.00003 0.00067 15 5YY 0.00000 -0.00430 -0.14289 -0.00002 0.00132 16 5ZZ 0.00006 -0.31964 0.08078 0.00010 -0.00076 17 5XY 0.00002 -0.09816 -0.13742 -0.00007 0.00037 18 5XZ -0.25077 -0.00009 0.00015 -0.24959 -0.11951 19 5YZ -0.47130 -0.00006 -0.00001 0.17210 0.05399 20 2 Al 1S 0.00000 0.02603 0.00973 0.00000 -0.00005 21 2S 0.00000 0.04615 -0.03717 -0.00002 -0.00071 22 2PX -0.00004 0.04047 -0.11192 -0.00004 0.00013 23 2PY 0.00003 -0.06851 0.05679 0.00003 -0.00004 24 2PZ -0.01661 0.00000 0.00003 -0.06961 -0.19533 25 3S 0.00001 1.23509 0.17647 0.00005 -0.00551 26 3PX 0.00025 -0.00799 0.82068 0.00034 -0.00201 27 3PY -0.00019 0.29796 -0.39637 -0.00021 0.00101 28 3PZ 0.14160 -0.00008 -0.00050 1.22094 1.39349 29 4S 0.00083 -0.60031 8.37142 0.00318 -0.00220 30 4PX 0.00029 0.17178 2.87025 0.00099 -0.00287 31 4PY 0.00057 -1.05381 -1.40378 -0.00070 0.00188 32 4PZ -0.00924 -0.00018 -0.00037 -0.20214 -0.25714 33 5XX -0.00007 0.19202 -0.01691 0.00006 0.00086 34 5YY -0.00002 -0.00435 0.14281 0.00010 0.00110 35 5ZZ 0.00009 -0.31967 -0.08065 -0.00013 -0.00074 36 5XY -0.00001 -0.09807 0.13746 0.00007 0.00049 37 5XZ 0.25067 0.00000 -0.00016 0.24975 -0.11921 38 5YZ 0.47139 0.00015 0.00003 -0.17200 0.05438 39 3 Cl 1S 0.00021 -0.01384 0.00001 -0.01247 0.00001 40 2S -0.00905 0.04558 0.00003 -0.07312 -0.00024 41 2PX -0.00002 0.00000 -0.05407 -0.00007 0.07261 42 2PY 0.00000 0.00000 0.02404 -0.00003 -0.00962 43 2PZ -0.00038 0.02229 -0.00004 0.06645 0.00036 44 3S -0.02010 -0.19720 0.00025 -0.50232 -0.00034 45 3PX 0.00005 -0.00001 0.15947 0.00023 -0.23553 46 3PY 0.00002 -0.00001 -0.06617 0.00013 0.01366 47 3PZ 0.00332 -0.05659 0.00014 -0.23228 -0.00127 48 4S 0.25387 -0.28266 -0.00163 3.31367 0.00822 49 4PX 0.00074 0.00015 0.91923 0.00016 -0.85506 50 4PY -0.00036 -0.00011 -0.52592 -0.00069 0.56322 51 4PZ 0.12717 -0.54382 -0.00104 2.25238 0.00434 52 5XX 0.16247 -0.12762 0.00001 -0.05802 -0.00031 53 5YY -0.17216 -0.04782 -0.00002 0.12044 0.00022 54 5ZZ 0.00236 0.14101 0.00007 -0.17172 -0.00001 55 5XY 0.16096 0.01750 -0.00007 0.10396 0.00052 56 5XZ -0.00007 0.00000 -0.07835 0.00000 0.11325 57 5YZ -0.00001 0.00000 0.04519 0.00008 -0.07507 58 4 Cl 1S -0.00021 -0.01384 -0.00001 0.01247 0.00002 59 2S 0.00906 0.04557 -0.00003 0.07311 -0.00021 60 2PX 0.00001 -0.00001 -0.05411 0.00001 -0.07260 61 2PY -0.00001 0.00000 0.02397 0.00005 0.00961 62 2PZ -0.00036 -0.02229 -0.00001 0.06643 -0.00034 63 3S 0.02003 -0.19722 -0.00021 0.50232 -0.00014 64 3PX -0.00003 0.00002 0.15962 -0.00003 0.23550 65 3PY 0.00004 0.00001 -0.06594 -0.00017 -0.01361 66 3PZ 0.00325 0.05661 0.00006 -0.23222 0.00120 67 4S -0.25390 -0.28249 0.00121 -3.31325 0.00694 68 4PX -0.00033 -0.00002 0.91913 0.00061 0.85474 69 4PY 0.00019 -0.00015 -0.52618 -0.00014 -0.56333 70 4PZ 0.12714 0.54371 -0.00097 2.25222 -0.00352 71 5XX -0.16244 -0.12769 0.00002 0.05801 -0.00040 72 5YY 0.17216 -0.04774 0.00004 -0.12044 0.00031 73 5ZZ -0.00242 0.14100 -0.00011 0.17174 0.00005 74 5XY -0.16098 0.01744 0.00005 -0.10393 0.00036 75 5XZ -0.00001 0.00001 0.07833 0.00003 0.11319 76 5YZ 0.00005 -0.00004 -0.04523 -0.00002 -0.07513 77 5 Cl 1S -0.00001 0.00201 0.00806 0.00001 -0.00003 78 2S 0.00003 -0.00925 -0.03982 -0.00003 0.00011 79 2PX -0.00001 -0.00711 0.04698 0.00004 0.00010 80 2PY 0.00001 0.05082 0.01558 0.00001 0.00004 81 2PZ 0.04598 0.00001 0.00002 -0.02772 -0.00707 82 3S -0.00013 0.02161 0.08302 0.00010 -0.00049 83 3PX 0.00004 0.01915 -0.13422 -0.00013 -0.00032 84 3PY -0.00003 -0.14499 -0.06450 -0.00006 -0.00006 85 3PZ -0.14318 -0.00004 -0.00005 0.09059 0.01660 86 4S -0.00017 0.31909 0.40252 0.00018 -0.00003 87 4PX 0.00001 0.04084 -0.21201 -0.00010 -0.00014 88 4PY -0.00006 -0.08593 0.26888 0.00012 -0.00039 89 4PZ 0.01375 0.00000 0.00000 -0.03872 0.04036 90 5XX 0.00000 -0.03464 -0.01063 -0.00002 -0.00003 91 5YY 0.00000 0.07970 0.01732 0.00002 0.00006 92 5ZZ -0.00002 -0.04554 -0.02112 0.00000 -0.00007 93 5XY -0.00001 -0.00661 0.04843 0.00004 -0.00001 94 5XZ -0.01278 0.00000 -0.00004 0.02000 -0.00803 95 5YZ 0.04992 -0.00002 0.00001 -0.01447 -0.04906 96 6 Cl 1S -0.00001 0.00201 -0.00806 0.00000 -0.00003 97 2S 0.00003 -0.00924 0.03981 0.00001 0.00009 98 2PX 0.00000 0.00712 0.04698 0.00002 -0.00011 99 2PY 0.00000 -0.05081 0.01559 0.00001 -0.00003 100 2PZ 0.04598 0.00000 -0.00001 -0.02768 0.00709 101 3S -0.00007 0.02161 -0.08300 -0.00001 -0.00041 102 3PX -0.00001 -0.01917 -0.13423 -0.00005 0.00036 103 3PY -0.00002 0.14495 -0.06455 -0.00003 0.00004 104 3PZ -0.14319 0.00000 0.00003 0.09047 -0.01666 105 4S -0.00026 0.31891 -0.40254 -0.00009 -0.00006 106 4PX -0.00004 -0.04089 -0.21200 -0.00006 0.00020 107 4PY 0.00007 0.08601 0.26880 0.00009 0.00029 108 4PZ 0.01380 0.00002 0.00005 -0.03867 -0.04035 109 5XX 0.00001 -0.03463 0.01064 0.00000 -0.00001 110 5YY -0.00001 0.07970 -0.01735 -0.00001 0.00007 111 5ZZ 0.00000 -0.04553 0.02113 0.00001 -0.00009 112 5XY -0.00001 -0.00662 -0.04842 -0.00002 0.00002 113 5XZ 0.01279 0.00000 0.00000 -0.01999 -0.00803 114 5YZ -0.04990 0.00001 0.00000 0.01446 -0.04910 115 7 Br 1S 0.00000 0.00212 -0.00516 0.00000 0.00002 116 2S 0.00000 -0.01272 0.03653 0.00001 -0.00017 117 3S 0.00000 0.01242 -0.04819 -0.00001 0.00026 118 4S -0.00001 0.03277 -0.07323 -0.00002 0.00030 119 5S -0.00014 0.05914 0.05540 0.00001 -0.00149 120 6S 0.00052 -0.26586 0.29237 0.00004 0.00230 121 7PX 0.00000 0.00764 -0.00639 -0.00001 -0.00002 122 7PY 0.00000 0.00308 0.01413 0.00000 0.00003 123 7PZ 0.01428 0.00000 0.00000 0.00730 0.00645 124 8PX -0.00001 -0.02353 0.01957 0.00002 0.00006 125 8PY -0.00002 -0.00960 -0.04429 -0.00001 -0.00010 126 8PZ -0.04488 -0.00001 -0.00001 -0.02303 -0.02017 127 9PX 0.00004 0.02787 -0.01200 -0.00002 -0.00021 128 9PY 0.00003 0.01936 0.09982 0.00003 0.00020 129 9PZ 0.10603 0.00002 0.00002 0.05846 0.04245 130 10PX -0.00008 0.18141 -0.34878 -0.00014 0.00007 131 10PY 0.00004 -0.02532 0.04858 0.00001 0.00041 132 10PZ 0.00484 -0.00002 0.00005 -0.01154 0.02876 133 11XX -0.00001 -0.01554 0.04183 0.00002 -0.00014 134 11YY 0.00000 -0.00610 -0.01130 -0.00002 -0.00017 135 11ZZ 0.00001 0.00604 0.03646 0.00001 -0.00007 136 11XY -0.00001 -0.02876 -0.02074 0.00000 -0.00003 137 11XZ -0.03036 -0.00001 0.00000 -0.01760 -0.03680 138 11YZ -0.00717 0.00000 0.00000 0.00798 -0.02817 139 12XX -0.00003 0.06297 -0.03864 -0.00005 -0.00053 140 12YY -0.00007 0.05658 0.13812 0.00009 -0.00046 141 12ZZ -0.00010 0.00628 -0.04582 -0.00003 -0.00084 142 12XY 0.00002 0.10617 0.08895 0.00001 0.00005 143 12XZ 0.12255 0.00003 0.00000 0.08010 0.14868 144 12YZ 0.02645 0.00000 0.00002 -0.02981 0.11538 145 8 Br 1S 0.00000 0.00212 0.00516 0.00001 0.00002 146 2S -0.00001 -0.01272 -0.03654 -0.00004 -0.00019 147 3S 0.00002 0.01242 0.04820 0.00005 0.00028 148 4S 0.00001 0.03277 0.07325 0.00008 0.00032 149 5S -0.00021 0.05920 -0.05540 -0.00020 -0.00162 150 6S 0.00048 -0.26604 -0.29252 0.00012 0.00267 151 7PX 0.00000 -0.00764 -0.00639 0.00000 0.00002 152 7PY 0.00000 -0.00308 0.01413 0.00001 -0.00004 153 7PZ 0.01429 0.00000 -0.00001 0.00731 -0.00644 154 8PX 0.00001 0.02352 0.01957 0.00001 -0.00006 155 8PY -0.00001 0.00960 -0.04428 -0.00002 0.00012 156 8PZ -0.04488 0.00000 0.00002 -0.02307 0.02014 157 9PX -0.00004 -0.02785 -0.01200 0.00000 0.00021 158 9PY 0.00001 -0.01936 0.09980 0.00005 -0.00025 159 9PZ 0.10604 0.00001 -0.00005 0.05858 -0.04237 160 10PX 0.00005 -0.18144 -0.34886 -0.00019 -0.00004 161 10PY -0.00001 0.02528 0.04848 0.00000 -0.00046 162 10PZ 0.00489 -0.00001 0.00001 -0.01160 -0.02877 163 11XX -0.00002 -0.01553 -0.04184 -0.00005 -0.00014 164 11YY -0.00001 -0.00610 0.01131 0.00000 -0.00017 165 11ZZ 0.00000 0.00604 -0.03648 -0.00003 -0.00009 166 11XY 0.00001 -0.02876 0.02073 0.00001 -0.00004 167 11XZ 0.03037 0.00000 -0.00003 0.01765 -0.03676 168 11YZ 0.00719 0.00000 0.00001 -0.00797 -0.02817 169 12XX -0.00006 0.06294 0.03867 0.00000 -0.00060 170 12YY -0.00011 0.05662 -0.13819 -0.00016 -0.00055 171 12ZZ -0.00013 0.00633 0.04586 -0.00007 -0.00084 172 12XY -0.00003 0.10616 -0.08891 -0.00003 0.00008 173 12XZ -0.12260 0.00001 0.00010 -0.08029 0.14850 174 12YZ -0.02653 0.00001 -0.00005 0.02977 0.11537 101 102 103 104 105 V V V V V Eigenvalues -- 0.23949 0.25605 0.26400 0.27612 0.33331 1 1 Al 1S -0.01346 0.00687 0.00000 0.00000 -0.01585 2 2S -0.20166 -0.00457 0.00003 0.00002 -0.05679 3 2PX -0.03101 0.03886 -0.00002 -0.00001 -0.06250 4 2PY 0.02290 0.09937 -0.00005 -0.00001 0.00234 5 2PZ -0.00069 -0.00001 0.05465 -0.01878 0.00000 6 3S -1.54254 0.23224 0.00006 0.00005 -0.86415 7 3PX 0.54023 -0.16877 0.00011 0.00001 0.48466 8 3PY -0.33841 -0.44815 0.00023 0.00004 -0.01920 9 3PZ 0.00481 -0.00007 -0.60889 0.36065 -0.00003 10 4S -0.34028 1.78751 -0.00136 -0.00067 0.06258 11 4PX 0.73374 -0.52472 0.00042 0.00038 -0.83698 12 4PY -0.44334 0.68789 -0.00013 -0.00031 0.03269 13 4PZ -0.00087 -0.00022 -1.04252 1.12474 -0.00002 14 5XX 0.21495 -0.29458 0.00018 -0.00003 0.25585 15 5YY 0.34529 0.30805 -0.00018 -0.00005 -0.36781 16 5ZZ -0.20737 -0.00037 -0.00006 0.00005 0.07461 17 5XY 0.12079 -0.26773 0.00008 0.00000 -0.11547 18 5XZ 0.00043 0.00006 0.13959 -0.36440 0.00000 19 5YZ -0.00019 -0.00020 -0.26366 -0.07902 0.00001 20 2 Al 1S -0.01347 -0.00687 0.00001 0.00000 -0.01584 21 2S -0.20168 0.00465 -0.00002 -0.00001 -0.05676 22 2PX 0.03103 0.03885 -0.00003 -0.00001 0.06250 23 2PY -0.02283 0.09938 -0.00006 -0.00003 -0.00232 24 2PZ 0.00070 0.00003 -0.05463 0.01876 0.00000 25 3S -1.54287 -0.23174 0.00013 0.00000 -0.86391 26 3PX -0.54034 -0.16859 0.00017 0.00006 -0.48464 27 3PY 0.33800 -0.44836 0.00031 0.00017 0.01892 28 3PZ -0.00504 -0.00019 0.60853 -0.36055 0.00001 29 4S -0.33982 -1.78721 0.00114 0.00075 0.06640 30 4PX -0.73334 -0.52434 0.00049 0.00033 0.83871 31 4PY 0.44351 0.68744 -0.00065 -0.00015 -0.03366 32 4PZ 0.00092 0.00052 1.04260 -1.12477 -0.00002 33 5XX 0.21514 0.29443 -0.00019 -0.00012 0.25589 34 5YY 0.34514 -0.30825 0.00031 0.00012 -0.36803 35 5ZZ -0.20738 0.00057 -0.00009 0.00002 0.07463 36 5XY 0.12099 0.26771 -0.00018 -0.00004 -0.11560 37 5XZ 0.00040 0.00007 0.13965 -0.36442 0.00000 38 5YZ -0.00011 -0.00013 -0.26341 -0.07917 -0.00002 39 3 Cl 1S 0.00427 0.00000 0.00001 0.00001 0.01839 40 2S -0.06111 0.00002 0.00001 0.00000 -0.04378 41 2PX -0.00026 -0.01353 -0.08500 0.01114 0.00004 42 2PY 0.00002 -0.03296 -0.06512 -0.10550 0.00002 43 2PZ 0.09947 -0.00005 -0.00002 -0.00001 -0.00354 44 3S -0.07282 0.00008 0.00015 0.00014 0.31449 45 3PX 0.00083 0.06372 0.32489 -0.01493 -0.00015 46 3PY -0.00001 0.12121 0.26790 0.41130 -0.00008 47 3PZ -0.35216 0.00019 0.00009 0.00006 -0.02125 48 4S 2.13956 -0.00089 -0.00067 -0.00026 -0.22399 49 4PX 0.00295 -0.43828 -1.47628 0.69360 0.00049 50 4PY -0.00238 -0.22001 0.00161 -1.15908 -0.00003 51 4PZ 1.07805 -0.00053 -0.00042 -0.00024 0.42642 52 5XX -0.10201 0.00005 0.00005 0.00003 -0.00629 53 5YY 0.07120 -0.00007 -0.00007 -0.00006 0.08976 54 5ZZ 0.01037 0.00003 0.00006 0.00007 -0.02034 55 5XY 0.12588 -0.00004 -0.00003 -0.00002 0.00150 56 5XZ -0.00034 0.07697 0.18879 -0.04277 -0.00005 57 5YZ 0.00034 0.08927 0.05029 0.19640 0.00001 58 4 Cl 1S 0.00427 0.00000 -0.00001 0.00000 0.01839 59 2S -0.06113 0.00000 -0.00001 0.00001 -0.04378 60 2PX 0.00025 -0.01339 0.08497 -0.01116 0.00004 61 2PY -0.00002 -0.03283 0.06517 0.10553 0.00004 62 2PZ -0.09948 0.00003 -0.00002 0.00000 0.00355 63 3S -0.07293 -0.00002 -0.00018 -0.00006 0.31442 64 3PX -0.00080 0.06321 -0.32481 0.01500 -0.00017 65 3PY 0.00000 0.12072 -0.26806 -0.41141 -0.00018 66 3PZ 0.35220 -0.00011 0.00006 -0.00001 0.02123 67 4S 2.14020 -0.00022 0.00070 0.00003 -0.22391 68 4PX -0.00336 -0.43725 1.47656 -0.69359 0.00038 69 4PY 0.00188 -0.21933 -0.00135 1.15920 0.00013 70 4PZ -1.07850 0.00001 -0.00054 0.00010 -0.42636 71 5XX -0.10204 0.00000 -0.00003 0.00000 -0.00632 72 5YY 0.07124 0.00002 0.00004 -0.00002 0.08978 73 5ZZ 0.01033 -0.00003 -0.00006 0.00000 -0.02035 74 5XY 0.12587 -0.00005 0.00002 0.00004 0.00149 75 5XZ -0.00044 -0.07682 0.18888 -0.04276 0.00004 76 5YZ 0.00020 -0.08912 0.05041 0.19642 0.00001 77 5 Cl 1S -0.00894 -0.01204 0.00001 0.00001 0.00319 78 2S 0.02913 0.05121 -0.00005 -0.00002 -0.02839 79 2PX 0.03083 -0.00226 0.00001 0.00002 -0.03776 80 2PY 0.00940 0.03100 0.00000 -0.00001 0.02679 81 2PZ 0.00000 -0.00003 -0.04915 -0.01776 -0.00002 82 3S -0.13096 -0.14896 0.00022 0.00016 0.00567 83 3PX -0.10054 0.00040 -0.00004 -0.00007 0.14155 84 3PY -0.01497 -0.05395 -0.00001 0.00003 -0.13572 85 3PZ 0.00002 0.00008 0.16883 0.06746 0.00007 86 4S -0.02276 -0.06618 0.00007 -0.00024 0.19746 87 4PX -0.04618 0.07466 -0.00003 -0.00003 -0.08583 88 4PY -0.11463 -0.42920 0.00028 0.00007 0.40346 89 4PZ -0.00014 0.00005 -0.00755 -0.15502 -0.00012 90 5XX -0.00776 -0.05951 0.00002 0.00003 0.03220 91 5YY 0.02426 0.12154 -0.00003 -0.00002 -0.09889 92 5ZZ -0.02633 -0.04687 0.00003 0.00001 0.02741 93 5XY 0.00105 -0.02689 0.00002 0.00003 0.05657 94 5XZ 0.00003 0.00001 -0.00264 0.02938 -0.00001 95 5YZ 0.00015 -0.00004 0.00341 -0.01719 0.00003 96 6 Cl 1S -0.00894 0.01205 -0.00001 0.00000 0.00320 97 2S 0.02911 -0.05124 0.00004 0.00002 -0.02842 98 2PX -0.03080 -0.00224 0.00002 0.00001 0.03781 99 2PY -0.00937 0.03100 -0.00003 -0.00001 -0.02683 100 2PZ -0.00002 0.00004 0.04917 0.01777 0.00000 101 3S -0.13090 0.14909 -0.00010 -0.00006 0.00587 102 3PX 0.10048 0.00034 -0.00004 -0.00003 -0.14173 103 3PY 0.01489 -0.05393 0.00005 0.00000 0.13589 104 3PZ 0.00005 -0.00013 -0.16891 -0.06749 0.00000 105 4S -0.02277 0.06623 -0.00003 -0.00001 0.19732 106 4PX 0.04617 0.07466 -0.00006 -0.00003 0.08591 107 4PY 0.11443 -0.42935 0.00032 0.00015 -0.40371 108 4PZ 0.00017 0.00000 0.00759 0.15501 -0.00003 109 5XX -0.00772 0.05952 -0.00004 -0.00002 0.03222 110 5YY 0.02418 -0.12157 0.00010 0.00004 -0.09892 111 5ZZ -0.02631 0.04689 -0.00004 -0.00002 0.02744 112 5XY 0.00104 0.02690 -0.00003 -0.00002 0.05659 113 5XZ 0.00003 0.00001 -0.00263 0.02940 0.00001 114 5YZ 0.00018 -0.00002 0.00339 -0.01720 -0.00002 115 7 Br 1S 0.00675 -0.00695 0.00000 0.00000 0.00653 116 2S -0.05262 0.05195 -0.00002 -0.00001 -0.05491 117 3S 0.07860 -0.07388 0.00003 0.00001 0.08895 118 4S 0.09014 -0.09540 0.00004 0.00001 0.08332 119 5S -0.45720 0.41341 -0.00013 -0.00009 -0.77802 120 6S 0.73139 -0.74890 0.00019 0.00017 1.63076 121 7PX -0.00601 -0.00383 0.00000 0.00000 -0.00262 122 7PY 0.01027 -0.00618 0.00000 0.00000 -0.01367 123 7PZ -0.00002 -0.00001 -0.00471 -0.01694 0.00000 124 8PX 0.01921 0.01131 0.00000 0.00001 0.00837 125 8PY -0.03216 0.01908 -0.00001 -0.00001 0.04385 126 8PZ 0.00007 0.00003 0.01508 0.05380 0.00000 127 9PX -0.06351 0.01705 -0.00003 -0.00003 -0.02756 128 9PY 0.06362 -0.02120 0.00002 0.00002 -0.14006 129 9PZ -0.00015 -0.00009 -0.05195 -0.14811 -0.00001 130 10PX 0.01912 -0.15805 0.00009 -0.00001 0.04043 131 10PY 0.12682 -0.13819 0.00007 0.00002 0.07131 132 10PZ -0.00011 0.00005 0.13616 -0.02585 0.00001 133 11XX -0.04098 0.08026 -0.00002 0.00000 -0.01492 134 11YY -0.04980 0.01572 -0.00001 -0.00001 -0.09161 135 11ZZ -0.02162 0.00831 0.00000 0.00000 -0.02294 136 11XY -0.00989 0.03474 -0.00003 0.00000 -0.03437 137 11XZ 0.00014 0.00003 0.03348 -0.00733 0.00000 138 11YZ 0.00010 0.00000 -0.01527 -0.00680 0.00000 139 12XX -0.16591 -0.01938 -0.00002 -0.00005 -0.46279 140 12YY -0.14321 0.22919 -0.00005 -0.00002 -0.10480 141 12ZZ -0.25127 0.24207 -0.00007 -0.00004 -0.41008 142 12XY 0.02408 -0.11654 0.00010 0.00001 0.14822 143 12XZ -0.00055 -0.00012 -0.15601 0.04067 -0.00002 144 12YZ -0.00041 0.00002 0.05668 0.03729 0.00000 145 8 Br 1S 0.00676 0.00694 0.00000 0.00000 0.00654 146 2S -0.05263 -0.05190 0.00001 0.00000 -0.05498 147 3S 0.07862 0.07381 -0.00001 0.00001 0.08906 148 4S 0.09017 0.09534 -0.00001 0.00000 0.08342 149 5S -0.45732 -0.41298 -0.00006 -0.00014 -0.77894 150 6S 0.73172 0.74813 0.00018 0.00027 1.63243 151 7PX 0.00600 -0.00384 0.00000 0.00000 0.00263 152 7PY -0.01028 -0.00618 0.00001 0.00000 0.01368 153 7PZ 0.00002 0.00001 0.00471 0.01694 0.00000 154 8PX -0.01919 0.01132 0.00001 0.00000 -0.00841 155 8PY 0.03217 0.01907 -0.00002 -0.00001 -0.04389 156 8PZ -0.00006 -0.00002 -0.01507 -0.05380 -0.00001 157 9PX 0.06349 0.01702 -0.00004 -0.00003 0.02766 158 9PY -0.06363 -0.02116 0.00004 0.00001 0.14019 159 9PZ 0.00011 0.00008 0.05193 0.14811 0.00002 160 10PX -0.01919 -0.15804 0.00011 0.00008 -0.04054 161 10PY -0.12689 -0.13814 0.00014 0.00005 -0.07131 162 10PZ 0.00009 -0.00009 -0.13616 0.02585 0.00000 163 11XX -0.04103 -0.08021 0.00002 0.00001 -0.01490 164 11YY -0.04979 -0.01570 0.00001 0.00000 -0.09171 165 11ZZ -0.02162 -0.00829 -0.00002 -0.00002 -0.02303 166 11XY -0.00991 -0.03475 0.00002 0.00003 -0.03437 167 11XZ 0.00012 0.00002 0.03348 -0.00733 0.00000 168 11YZ 0.00009 -0.00001 -0.01526 -0.00680 -0.00002 169 12XX -0.16584 0.01949 -0.00008 -0.00011 -0.46355 170 12YY -0.14334 -0.22899 -0.00006 -0.00008 -0.10497 171 12ZZ -0.25136 -0.24183 0.00005 -0.00001 -0.41035 172 12XY 0.02416 0.11661 -0.00007 -0.00010 0.14822 173 12XZ -0.00049 -0.00009 -0.15600 0.04068 0.00002 174 12YZ -0.00038 0.00002 0.05662 0.03730 0.00007 106 107 108 109 110 V V V V V Eigenvalues -- 0.34134 0.35112 0.36941 0.37801 0.40055 1 1 Al 1S -0.00863 -0.00492 -0.00849 -0.00001 0.00941 2 2S -0.04376 -0.03853 -0.01449 -0.00007 0.15653 3 2PX -0.03848 -0.04733 -0.02906 -0.00005 0.02186 4 2PY 0.04277 0.04550 0.04008 0.00006 -0.00574 5 2PZ -0.00002 0.00000 -0.00004 0.03825 0.00001 6 3S -0.59970 -0.39777 -0.44845 -0.00089 1.10440 7 3PX 0.36333 0.34124 0.32694 0.00053 -0.27750 8 3PY -0.40216 -0.42030 -0.18948 -0.00028 0.06957 9 3PZ 0.00014 -0.00002 0.00023 -0.21483 -0.00006 10 4S -7.73169 0.13015 -4.72380 -0.00957 -0.19442 11 4PX 2.98205 -0.48808 1.19038 0.00318 -0.53890 12 4PY -1.62608 0.12165 -0.70320 -0.00149 -0.44303 13 4PZ -0.00058 0.00001 -0.00040 0.22915 0.00003 14 5XX -0.04393 -0.15183 -0.02063 -0.00010 -0.08550 15 5YY 0.39378 0.22313 0.20594 0.00038 -0.03226 16 5ZZ -0.07884 -0.00552 -0.01684 -0.00003 -0.03209 17 5XY 0.22621 -0.38513 0.08830 0.00020 0.03126 18 5XZ -0.00004 0.00002 -0.00010 0.09727 0.00004 19 5YZ -0.00024 0.00000 -0.00052 0.50397 0.00010 20 2 Al 1S 0.00863 -0.00492 0.00848 0.00001 0.00941 21 2S 0.04377 -0.03854 0.01439 0.00003 0.15656 22 2PX -0.03852 0.04734 -0.02902 -0.00005 -0.02187 23 2PY 0.04273 -0.04550 0.04005 0.00006 0.00575 24 2PZ 0.00001 0.00000 0.00004 -0.03819 -0.00001 25 3S 0.60004 -0.39782 0.44741 0.00075 1.10455 26 3PX 0.36363 -0.34140 0.32659 0.00053 0.27762 27 3PY -0.40181 0.42037 -0.18922 -0.00028 -0.06960 28 3PZ -0.00004 0.00004 -0.00021 0.21417 0.00005 29 4S 7.73186 0.12641 4.72407 0.00932 -0.19212 30 4PX 2.98147 0.48679 1.19096 0.00301 0.53952 31 4PY -1.62589 -0.12084 -0.70337 -0.00159 0.44275 32 4PZ -0.00027 0.00009 -0.00005 -0.22878 0.00005 33 5XX 0.04375 -0.15190 0.02077 0.00000 -0.08541 34 5YY -0.39343 0.22321 -0.20610 -0.00040 -0.03239 35 5ZZ 0.07877 -0.00545 0.01691 0.00013 -0.03212 36 5XY -0.22615 -0.38502 -0.08843 -0.00030 0.03124 37 5XZ -0.00006 0.00000 -0.00012 0.09720 0.00000 38 5YZ -0.00031 0.00004 -0.00057 0.50400 0.00010 39 3 Cl 1S 0.00000 0.01248 0.00001 0.00000 0.00932 40 2S 0.00001 -0.02394 -0.00002 0.00002 0.01581 41 2PX 0.06223 -0.00001 -0.02745 -0.01767 0.00001 42 2PY 0.01061 0.00003 -0.08322 -0.09690 -0.00004 43 2PZ 0.00001 0.00815 -0.00001 -0.00003 -0.00534 44 3S -0.00008 0.22607 0.00010 -0.00002 0.26702 45 3PX -0.25444 0.00001 0.09875 0.09149 -0.00002 46 3PY -0.04514 -0.00012 0.32886 0.36129 0.00013 47 3PZ -0.00004 -0.04796 0.00001 0.00012 0.03777 48 4S 0.00033 -0.16700 0.00010 -0.00029 -1.09420 49 4PX 1.45516 -0.00023 0.70220 0.05977 0.00016 50 4PY -0.46941 0.00022 -0.75851 0.00942 0.00000 51 4PZ 0.00003 0.31461 0.00024 -0.00052 -0.49005 52 5XX 0.00002 0.09808 0.00003 -0.00004 0.02303 53 5YY -0.00004 -0.05402 0.00000 0.00000 -0.05014 54 5ZZ 0.00001 0.01533 -0.00001 0.00004 0.09117 55 5XY 0.00007 0.08660 0.00005 0.00004 -0.12279 56 5XZ -0.13389 0.00003 -0.07851 -0.08428 -0.00005 57 5YZ 0.05456 -0.00005 0.06977 -0.12474 -0.00006 58 4 Cl 1S -0.00001 0.01248 0.00001 0.00000 0.00932 59 2S 0.00001 -0.02395 -0.00002 -0.00002 0.01580 60 2PX 0.06223 -0.00002 -0.02748 0.01765 0.00001 61 2PY 0.01055 0.00000 -0.08340 0.09670 -0.00001 62 2PZ 0.00000 -0.00815 0.00000 -0.00003 0.00534 63 3S -0.00011 0.22607 0.00012 -0.00012 0.26700 64 3PX -0.25441 0.00009 0.09889 -0.09146 -0.00004 65 3PY -0.04492 0.00002 0.32952 -0.36048 0.00003 66 3PZ -0.00002 0.04795 0.00000 0.00011 -0.03780 67 4S -0.00001 -0.16695 -0.00013 0.00073 -1.09409 68 4PX 1.45541 -0.00030 0.70243 -0.05686 0.00026 69 4PY -0.46919 0.00002 -0.75824 -0.01185 -0.00026 70 4PZ 0.00012 -0.31471 -0.00021 -0.00060 0.48999 71 5XX 0.00004 0.09807 0.00004 0.00004 0.02304 72 5YY -0.00006 -0.05402 0.00001 -0.00001 -0.05017 73 5ZZ 0.00000 0.01533 -0.00003 -0.00006 0.09118 74 5XY 0.00003 0.08660 0.00003 0.00001 -0.12274 75 5XZ 0.13399 -0.00002 0.07871 -0.08393 0.00000 76 5YZ -0.05440 -0.00001 -0.06947 -0.12496 -0.00005 77 5 Cl 1S -0.01010 -0.01392 0.00351 0.00001 -0.00853 78 2S 0.02402 0.04621 -0.01381 -0.00005 0.02392 79 2PX 0.02496 0.00203 -0.05235 -0.00003 -0.02563 80 2PY -0.02918 -0.04861 0.04012 0.00012 -0.10640 81 2PZ 0.00001 -0.00001 0.00004 -0.04852 -0.00001 82 3S -0.17545 -0.20956 0.04740 0.00018 -0.14240 83 3PX -0.09100 -0.00698 0.18638 0.00010 0.08800 84 3PY 0.13354 0.22154 -0.14082 -0.00045 0.41053 85 3PZ -0.00002 0.00001 -0.00013 0.16292 0.00001 86 4S 0.29699 0.03684 0.25842 0.00042 -0.01719 87 4PX -0.05403 0.06613 -0.18451 -0.00026 0.01396 88 4PY -0.19563 -0.54334 0.20685 0.00073 -0.50985 89 4PZ 0.00004 0.00006 0.00001 -0.07868 0.00004 90 5XX -0.02072 -0.06342 0.00256 0.00002 -0.02247 91 5YY 0.05815 0.11836 0.03260 -0.00003 0.02955 92 5ZZ -0.05516 -0.05657 -0.03640 0.00001 -0.01184 93 5XY -0.05329 0.03031 -0.05462 -0.00006 -0.03059 94 5XZ -0.00001 -0.00001 -0.00003 0.02231 0.00001 95 5YZ 0.00002 -0.00005 0.00011 -0.10871 -0.00004 96 6 Cl 1S 0.01009 -0.01392 -0.00351 0.00000 -0.00854 97 2S -0.02397 0.04621 0.01380 0.00002 0.02393 98 2PX 0.02494 -0.00202 -0.05234 -0.00004 0.02558 99 2PY -0.02912 0.04863 0.04009 0.00005 0.10645 100 2PZ -0.00002 0.00000 -0.00005 0.04855 0.00002 101 3S 0.17531 -0.20957 -0.04742 -0.00001 -0.14252 102 3PX -0.09090 0.00696 0.18633 0.00014 -0.08783 103 3PY 0.13327 -0.22161 -0.14069 -0.00017 -0.41069 104 3PZ 0.00008 0.00001 0.00015 -0.16304 -0.00009 105 4S -0.29717 0.03694 -0.25826 -0.00048 -0.01720 106 4PX -0.05408 -0.06607 -0.18449 -0.00024 -0.01413 107 4PY -0.19503 0.54337 0.20660 0.00035 0.51002 108 4PZ -0.00003 0.00002 -0.00003 0.07875 0.00008 109 5XX 0.02068 -0.06342 -0.00255 -0.00001 -0.02247 110 5YY -0.05804 0.11837 -0.03265 0.00000 0.02950 111 5ZZ 0.05511 -0.05659 0.03640 0.00003 -0.01182 112 5XY 0.05325 0.03028 0.05468 0.00009 -0.03056 113 5XZ 0.00000 0.00000 -0.00002 0.02232 0.00000 114 5YZ 0.00003 0.00003 0.00010 -0.10870 -0.00002 115 7 Br 1S -0.00367 -0.00287 0.01151 0.00001 0.00939 116 2S 0.02962 0.01852 -0.10032 -0.00005 -0.07968 117 3S -0.04572 -0.02075 0.16821 0.00010 0.12988 118 4S -0.04936 -0.04462 0.14278 0.00007 0.12104 119 5S 0.23037 -0.09114 -1.64611 -0.00117 -1.20868 120 6S -0.20135 0.39355 3.50432 0.00272 2.51787 121 7PX 0.00581 0.01969 -0.03462 -0.00003 -0.03676 122 7PY 0.00977 -0.00526 -0.01002 0.00001 -0.02712 123 7PZ 0.00001 0.00000 0.00001 -0.00747 0.00000 124 8PX -0.01842 -0.06368 0.11024 0.00008 0.11776 125 8PY -0.03110 0.01636 0.03188 -0.00003 0.08672 126 8PZ -0.00002 -0.00001 -0.00003 0.02350 -0.00001 127 9PX 0.05349 0.23827 -0.31190 -0.00021 -0.36812 128 9PY 0.08571 -0.02374 -0.08960 0.00009 -0.26520 129 9PZ 0.00004 0.00001 0.00008 -0.05479 0.00003 130 10PX -0.24966 -0.34202 -0.03492 -0.00026 0.24228 131 10PY 0.00512 -0.11064 0.00103 -0.00012 0.16410 132 10PZ 0.00005 0.00000 0.00003 -0.02059 -0.00004 133 11XX -0.04585 0.05465 -0.07820 -0.00007 -0.09693 134 11YY 0.05707 -0.02132 -0.08703 -0.00005 -0.03143 135 11ZZ 0.05511 -0.00556 -0.08097 -0.00003 -0.06125 136 11XY 0.02932 0.04015 0.01363 0.00005 0.00749 137 11XZ -0.00002 -0.00001 -0.00007 0.07997 0.00003 138 11YZ -0.00001 -0.00001 -0.00002 0.01721 -0.00001 139 12XX 0.42622 -0.23891 -0.70138 -0.00038 -0.34889 140 12YY -0.06247 0.07511 -0.68110 -0.00051 -0.64347 141 12ZZ -0.03990 -0.00681 -0.70590 -0.00061 -0.50564 142 12XY -0.13320 -0.15673 -0.05307 -0.00021 -0.03507 143 12XZ 0.00007 0.00004 0.00032 -0.36022 -0.00013 144 12YZ 0.00006 0.00003 0.00009 -0.07524 0.00003 145 8 Br 1S 0.00366 -0.00287 -0.01151 -0.00001 0.00939 146 2S -0.02955 0.01850 0.10034 0.00007 -0.07966 147 3S 0.04560 -0.02071 -0.16824 -0.00013 0.12983 148 4S 0.04924 -0.04457 -0.14282 -0.00010 0.12101 149 5S -0.22936 -0.09162 1.64623 0.00131 -1.20813 150 6S 0.19929 0.39459 -3.50444 -0.00296 2.51664 151 7PX 0.00580 -0.01969 -0.03464 -0.00004 0.03675 152 7PY 0.00975 0.00525 -0.01002 0.00000 0.02713 153 7PZ 0.00000 0.00000 -0.00001 0.00746 0.00001 154 8PX -0.01838 0.06366 0.11030 0.00011 -0.11772 155 8PY -0.03105 -0.01635 0.03189 0.00001 -0.08677 156 8PZ 0.00000 0.00001 0.00003 -0.02346 -0.00003 157 9PX 0.05336 -0.23821 -0.31212 -0.00033 0.36802 158 9PY 0.08553 0.02369 -0.08962 -0.00002 0.26536 159 9PZ 0.00002 -0.00005 -0.00006 0.05468 0.00008 160 10PX -0.24952 0.34209 -0.03470 -0.00009 -0.24238 161 10PY 0.00517 0.11073 0.00104 0.00000 -0.16428 162 10PZ -0.00004 0.00006 -0.00003 0.02066 -0.00005 163 11XX 0.04592 0.05458 0.07826 0.00009 -0.09691 164 11YY -0.05699 -0.02129 0.08700 0.00005 -0.03143 165 11ZZ -0.05508 -0.00558 0.08098 0.00004 -0.06121 166 11XY -0.02926 0.04020 -0.01365 -0.00003 0.00745 167 11XZ -0.00003 0.00001 -0.00008 0.07999 0.00000 168 11YZ 0.00000 0.00001 -0.00001 0.01725 0.00001 169 12XX -0.42583 -0.23888 0.70120 0.00042 -0.34867 170 12YY 0.06275 0.07472 0.68133 0.00059 -0.64312 171 12ZZ 0.04046 -0.00701 0.70596 0.00064 -0.50550 172 12XY 0.13297 -0.15694 0.05314 0.00014 -0.03488 173 12XZ 0.00014 -0.00004 0.00034 -0.36029 0.00001 174 12YZ 0.00002 -0.00003 0.00006 -0.07546 -0.00003 111 112 113 114 115 V V V V V Eigenvalues -- 0.41675 0.44257 0.44901 0.46036 0.46239 1 1 Al 1S 0.00693 -0.00001 0.00980 -0.00548 0.00000 2 2S -0.08077 -0.00002 0.01976 -0.00267 0.00001 3 2PX 0.02511 0.00000 0.01368 0.02522 0.00000 4 2PY -0.00754 0.00000 -0.00152 -0.01512 -0.00001 5 2PZ -0.00003 0.01935 0.00001 -0.00004 0.02971 6 3S -0.07239 -0.00049 0.52535 -0.24777 0.00002 7 3PX -0.17708 0.00014 -0.18771 -0.05735 -0.00001 8 3PY 0.30848 -0.00005 0.11234 0.19185 0.00006 9 3PZ 0.00010 0.02338 -0.00008 0.00016 -0.19276 10 4S -0.56284 0.00065 -0.47389 2.07557 0.00059 11 4PX 0.60962 0.00009 -0.57588 -0.37777 -0.00019 12 4PY 0.11287 0.00034 -0.52160 0.66148 0.00023 13 4PZ -0.00020 0.40131 0.00009 -0.00013 -0.06198 14 5XX -0.01903 0.00012 -0.12960 0.14005 0.00002 15 5YY -0.01267 0.00004 -0.03568 0.07394 -0.00001 16 5ZZ -0.01278 -0.00005 -0.01139 -0.13197 -0.00003 17 5XY 0.08172 0.00008 -0.08446 0.03684 0.00000 18 5XZ -0.00002 -0.00081 0.00005 -0.00010 0.05591 19 5YZ -0.00016 0.07431 -0.00002 0.00002 -0.04944 20 2 Al 1S -0.00693 0.00000 0.00980 0.00548 0.00000 21 2S 0.08073 -0.00001 0.01976 0.00271 -0.00001 22 2PX 0.02511 0.00002 -0.01370 0.02521 0.00001 23 2PY -0.00754 -0.00001 0.00153 -0.01512 -0.00001 24 2PZ 0.00002 0.01936 0.00001 0.00000 0.02973 25 3S 0.07217 -0.00023 0.52546 0.24803 0.00000 26 3PX -0.17710 -0.00015 0.18785 -0.05726 -0.00004 27 3PY 0.30846 0.00014 -0.11247 0.19183 0.00007 28 3PZ -0.00013 0.02335 -0.00007 -0.00003 -0.19284 29 4S 0.56284 -0.00026 -0.47165 -2.07541 -0.00064 30 4PX 0.60959 -0.00020 0.57641 -0.37753 -0.00021 31 4PY 0.11303 -0.00006 0.52121 0.66159 0.00017 32 4PZ 0.00007 0.40141 0.00032 0.00011 -0.06203 33 5XX 0.01904 0.00003 -0.12948 -0.14004 -0.00003 34 5YY 0.01267 -0.00005 -0.03580 -0.07401 0.00001 35 5ZZ 0.01279 0.00007 -0.01145 0.13196 -0.00001 36 5XY -0.08172 -0.00001 -0.08450 -0.03681 0.00000 37 5XZ -0.00002 0.00080 0.00000 -0.00007 -0.05602 38 5YZ -0.00019 -0.07441 -0.00009 -0.00004 0.04960 39 3 Cl 1S 0.00000 -0.02397 -0.00471 0.00001 -0.00211 40 2S 0.00000 0.00804 0.01249 0.00000 0.00744 41 2PX 0.03115 -0.00003 0.00001 -0.04067 -0.00002 42 2PY -0.09247 -0.00001 0.00002 -0.03449 0.00000 43 2PZ 0.00000 -0.07648 0.00980 0.00001 0.02454 44 3S 0.00009 -0.55453 -0.07610 0.00026 -0.02936 45 3PX -0.11971 0.00011 -0.00007 0.17816 0.00009 46 3PY 0.37202 0.00005 -0.00007 0.14628 0.00001 47 3PZ 0.00001 0.31260 -0.03843 -0.00005 -0.11887 48 4S -0.00013 1.12115 -0.20572 -0.00059 -0.29928 49 4PX 0.00339 -0.00013 0.00017 -0.32173 -0.00008 50 4PY -0.53948 -0.00019 0.00009 -0.33401 0.00003 51 4PZ 0.00000 -0.39652 -0.22856 0.00002 0.03673 52 5XX 0.00003 -0.12203 -0.01864 -0.00001 0.16745 53 5YY -0.00003 0.01847 -0.05731 0.00001 -0.08871 54 5ZZ 0.00002 -0.01581 0.05355 0.00005 -0.08876 55 5XY 0.00002 0.00785 -0.07612 -0.00003 -0.03182 56 5XZ 0.02691 0.00001 0.00000 -0.00670 -0.00007 57 5YZ -0.00028 0.00004 -0.00001 0.01916 -0.00003 58 4 Cl 1S 0.00000 0.02398 -0.00470 0.00000 0.00211 59 2S 0.00000 -0.00806 0.01247 0.00001 -0.00744 60 2PX 0.03114 -0.00002 0.00000 -0.04066 0.00000 61 2PY -0.09255 -0.00001 -0.00001 -0.03454 -0.00001 62 2PZ 0.00000 -0.07645 -0.00986 0.00002 0.02455 63 3S -0.00010 0.55465 -0.07573 -0.00009 0.02939 64 3PX -0.11965 0.00009 -0.00001 0.17808 -0.00003 65 3PY 0.37234 0.00005 0.00004 0.14648 0.00004 66 3PZ 0.00001 0.31250 0.03867 -0.00008 -0.11890 67 4S 0.00026 -1.12087 -0.20622 -0.00007 0.29928 68 4PX 0.00333 -0.00003 0.00028 -0.32182 -0.00018 69 4PY -0.53948 -0.00006 -0.00013 -0.33404 -0.00007 70 4PZ -0.00008 -0.39681 0.22799 0.00018 0.03674 71 5XX -0.00001 0.12204 -0.01857 0.00002 -0.16742 72 5YY 0.00001 -0.01838 -0.05728 -0.00003 0.08872 73 5ZZ -0.00001 0.01573 0.05354 -0.00001 0.08874 74 5XY 0.00001 -0.00779 -0.07609 -0.00005 0.03182 75 5XZ -0.02686 0.00003 0.00005 0.00661 -0.00003 76 5YZ 0.00039 0.00002 -0.00003 -0.01908 -0.00003 77 5 Cl 1S 0.01245 -0.00001 0.00533 -0.00900 -0.00001 78 2S -0.02926 0.00001 -0.00635 0.01035 0.00001 79 2PX 0.00614 0.00005 0.03191 0.01724 0.00000 80 2PY 0.15866 -0.00004 0.06798 -0.01642 -0.00001 81 2PZ 0.00001 0.07870 0.00002 0.00005 0.01733 82 3S 0.22155 -0.00017 0.11033 -0.18483 -0.00015 83 3PX -0.02467 -0.00017 -0.12769 -0.07111 0.00001 84 3PY -0.61166 0.00015 -0.26408 0.06184 0.00003 85 3PZ -0.00004 -0.30090 -0.00007 -0.00019 -0.06931 86 4S -0.08257 0.00023 -0.20157 0.27039 0.00025 87 4PX -0.02124 0.00016 0.20989 0.08986 -0.00001 88 4PY 0.75259 -0.00015 0.30014 -0.06362 0.00000 89 4PZ -0.00004 0.27195 0.00006 0.00019 0.09731 90 5XX 0.03310 0.00001 0.00241 -0.01396 -0.00001 91 5YY -0.04731 -0.00004 0.00202 -0.03229 -0.00003 92 5ZZ 0.03420 0.00000 0.01520 0.00582 0.00000 93 5XY -0.03144 0.00000 -0.00901 -0.03004 0.00000 94 5XZ -0.00002 0.01624 0.00000 -0.00001 -0.00124 95 5YZ 0.00009 -0.02114 0.00001 0.00002 -0.01122 96 6 Cl 1S -0.01245 0.00000 0.00533 0.00900 0.00000 97 2S 0.02925 0.00000 -0.00635 -0.01035 0.00000 98 2PX 0.00612 0.00003 -0.03189 0.01722 0.00001 99 2PY 0.15863 0.00004 -0.06798 -0.01641 -0.00001 100 2PZ -0.00001 0.07867 0.00005 -0.00008 0.01727 101 3S -0.22148 -0.00005 0.11030 0.18479 0.00009 102 3PX -0.02462 -0.00013 0.12762 -0.07103 -0.00002 103 3PY -0.61155 -0.00015 0.26409 0.06182 0.00005 104 3PZ 0.00001 -0.30076 -0.00020 0.00032 -0.06905 105 4S 0.08249 0.00007 -0.20162 -0.27039 -0.00013 106 4PX -0.02126 0.00017 -0.20983 0.08972 0.00004 107 4PY 0.75242 0.00015 -0.30017 -0.06362 -0.00003 108 4PZ 0.00004 0.27182 0.00019 -0.00033 0.09702 109 5XX -0.03310 0.00000 0.00242 0.01396 0.00000 110 5YY 0.04730 -0.00001 0.00198 0.03227 0.00002 111 5ZZ -0.03419 0.00000 0.01523 -0.00580 0.00000 112 5XY 0.03145 0.00003 -0.00900 0.03002 0.00001 113 5XZ -0.00001 -0.01625 -0.00001 0.00000 0.00124 114 5YZ 0.00006 0.02117 0.00003 0.00000 0.01119 115 7 Br 1S -0.00515 0.00000 0.00418 -0.00277 0.00000 116 2S 0.04491 0.00002 -0.03664 0.02344 0.00000 117 3S -0.07525 -0.00003 0.06238 -0.03900 -0.00001 118 4S -0.06449 -0.00002 0.04941 -0.03235 -0.00001 119 5S 0.77437 0.00048 -0.87629 0.65099 0.00011 120 6S -1.66027 -0.00110 2.02270 -1.52234 -0.00025 121 7PX 0.01303 -0.00001 -0.00546 -0.00379 0.00001 122 7PY 0.01997 -0.00001 0.00849 -0.03999 -0.00001 123 7PZ 0.00000 -0.01865 -0.00001 0.00000 0.03846 124 8PX -0.04154 0.00002 0.01713 0.01264 -0.00002 125 8PY -0.06400 0.00004 -0.02757 0.12862 0.00004 126 8PZ 0.00000 0.05979 0.00003 -0.00001 -0.12369 127 9PX 0.11785 -0.00009 -0.02901 -0.07163 0.00006 128 9PY 0.20182 -0.00013 0.10750 -0.42593 -0.00013 129 9PZ 0.00000 -0.18646 -0.00008 0.00002 0.40549 130 10PX -0.00619 0.00022 -0.15949 0.29280 0.00000 131 10PY -0.15065 0.00017 -0.20423 0.42344 0.00011 132 10PZ 0.00002 0.10591 0.00007 -0.00001 -0.36162 133 11XX 0.02573 0.00000 -0.06567 0.00764 0.00001 134 11YY 0.02994 0.00000 -0.08754 -0.07902 -0.00003 135 11ZZ 0.05445 0.00004 0.06312 0.12660 0.00002 136 11XY 0.01620 -0.00004 0.09297 -0.01501 0.00001 137 11XZ -0.00003 -0.07541 -0.00004 0.00005 0.06898 138 11YZ 0.00000 0.07321 0.00005 -0.00012 0.11213 139 12XX 0.36580 0.00023 -0.17798 0.28558 -0.00001 140 12YY 0.35937 0.00025 -0.09002 0.71788 0.00018 141 12ZZ 0.24419 0.00009 -0.79445 -0.23940 -0.00006 142 12XY -0.07170 0.00016 -0.41744 0.05958 -0.00003 143 12XZ 0.00014 0.35801 0.00018 -0.00022 -0.32471 144 12YZ -0.00001 -0.33573 -0.00022 0.00058 -0.52406 145 8 Br 1S 0.00515 0.00000 0.00418 0.00277 0.00000 146 2S -0.04491 0.00000 -0.03663 -0.02346 0.00000 147 3S 0.07524 -0.00001 0.06236 0.03902 0.00000 148 4S 0.06448 0.00000 0.04940 0.03237 0.00000 149 5S -0.77437 0.00010 -0.87588 -0.65122 -0.00006 150 6S 1.66030 -0.00024 2.02169 1.52288 0.00016 151 7PX 0.01302 -0.00001 0.00546 -0.00376 -0.00001 152 7PY 0.01996 0.00001 -0.00847 -0.03999 -0.00002 153 7PZ 0.00001 -0.01865 -0.00001 -0.00002 0.03846 154 8PX -0.04150 0.00002 -0.01713 0.01253 0.00003 155 8PY -0.06399 -0.00002 0.02751 0.12861 0.00007 156 8PZ -0.00002 0.05979 0.00002 0.00005 -0.12368 157 9PX 0.11774 -0.00007 0.02901 -0.07130 -0.00011 158 9PY 0.20177 0.00007 -0.10730 -0.42590 -0.00023 159 9PZ 0.00006 -0.18645 -0.00007 -0.00018 0.40548 160 10PX -0.00606 0.00006 0.15929 0.29249 0.00014 161 10PY -0.15060 -0.00007 0.20407 0.42348 0.00020 162 10PZ -0.00005 0.10589 0.00007 0.00020 -0.36160 163 11XX -0.02570 0.00001 -0.06568 -0.00770 0.00002 164 11YY -0.02996 0.00008 -0.08753 0.07901 0.00007 165 11ZZ -0.05446 -0.00007 0.06316 -0.12656 -0.00009 166 11XY -0.01620 -0.00005 0.09296 0.01501 0.00002 167 11XZ -0.00005 0.07541 0.00000 0.00004 -0.06886 168 11YZ 0.00000 -0.07321 -0.00004 0.00005 -0.11228 169 12XX -0.36591 0.00003 -0.17770 -0.28547 -0.00012 170 12YY -0.35928 -0.00027 -0.08984 -0.71795 -0.00035 171 12ZZ -0.24416 0.00040 -0.79439 0.23907 0.00040 172 12XY 0.07172 0.00021 -0.41741 -0.05958 -0.00007 173 12XZ 0.00023 -0.35804 -0.00001 -0.00018 0.32418 174 12YZ 0.00001 0.33574 0.00019 -0.00022 0.52480 116 117 118 119 120 V V V V V Eigenvalues -- 0.46662 0.47506 0.48638 0.49320 0.49779 1 1 Al 1S 0.00000 -0.00146 0.00000 0.00457 0.00000 2 2S 0.00000 0.00267 0.00001 -0.06078 -0.00003 3 2PX 0.00000 0.02967 -0.00001 -0.02148 -0.00002 4 2PY 0.00001 -0.00239 0.00000 -0.00070 0.00000 5 2PZ -0.03072 0.00002 -0.00368 -0.00004 0.03597 6 3S 0.00010 -0.06254 -0.00013 -0.06181 -0.00007 7 3PX 0.00007 0.00098 0.00003 0.13248 0.00011 8 3PY -0.00007 0.04244 -0.00014 0.09355 -0.00001 9 3PZ 0.17481 -0.00014 0.15555 0.00028 -0.22995 10 4S -0.00107 0.17099 0.00009 -0.54504 0.00032 11 4PX 0.00061 0.63047 -0.00003 -0.35184 -0.00033 12 4PY -0.00021 0.13998 0.00005 -0.39860 0.00002 13 4PZ -0.07060 -0.00013 -0.00915 0.00003 -0.05105 14 5XX -0.00007 -0.01250 0.00004 -0.00326 0.00004 15 5YY 0.00001 0.17868 0.00001 -0.10401 -0.00011 16 5ZZ 0.00004 -0.10625 0.00001 0.00233 -0.00002 17 5XY 0.00008 0.13832 0.00004 -0.17258 -0.00016 18 5XZ -0.08473 0.00002 -0.03965 0.00002 -0.09708 19 5YZ 0.02789 0.00003 0.13323 0.00011 -0.05657 20 2 Al 1S 0.00000 0.00146 -0.00001 0.00457 0.00000 21 2S -0.00001 -0.00271 0.00002 -0.06077 -0.00003 22 2PX 0.00000 0.02968 -0.00001 0.02147 0.00002 23 2PY 0.00000 -0.00239 0.00000 0.00070 0.00000 24 2PZ 0.03069 -0.00003 -0.00364 0.00003 -0.03600 25 3S -0.00022 0.06242 -0.00021 -0.06181 -0.00029 26 3PX 0.00001 0.00087 -0.00004 -0.13250 -0.00018 27 3PY -0.00001 0.04242 0.00003 -0.09359 -0.00006 28 3PZ -0.17464 0.00017 0.15535 -0.00011 0.23026 29 4S 0.00106 -0.17126 0.00038 -0.54597 -0.00041 30 4PX 0.00060 0.63065 -0.00027 0.35116 -0.00023 31 4PY -0.00026 0.14060 -0.00025 0.39876 -0.00006 32 4PZ 0.07065 0.00003 -0.00903 0.00006 0.05089 33 5XX 0.00007 0.01251 0.00000 -0.00320 0.00002 34 5YY -0.00003 -0.17867 0.00015 -0.10396 0.00000 35 5ZZ -0.00002 0.10624 -0.00004 0.00224 0.00001 36 5XY -0.00005 -0.13838 0.00012 -0.17252 -0.00003 37 5XZ -0.08469 0.00000 0.03971 0.00002 -0.09702 38 5YZ 0.02788 -0.00007 -0.13321 -0.00011 -0.05665 39 3 Cl 1S 0.00000 0.00000 -0.00917 -0.00035 0.00000 40 2S 0.00000 0.00000 0.00012 -0.01645 -0.00002 41 2PX -0.01882 -0.03200 0.00000 0.00000 0.01721 42 2PY 0.02456 -0.04864 0.00003 0.00004 -0.01368 43 2PZ -0.00001 0.00001 -0.02650 0.04348 0.00002 44 3S 0.00006 0.00000 -0.22623 -0.04804 0.00006 45 3PX 0.09091 0.15005 0.00001 -0.00002 -0.04657 46 3PY -0.10251 0.20112 -0.00014 -0.00014 0.06426 47 3PZ 0.00003 -0.00003 0.11844 -0.18697 -0.00007 48 4S 0.00008 0.00011 0.70359 0.32516 0.00027 49 4PX 0.07032 -0.21982 0.00012 0.00017 -0.19498 50 4PY -0.00239 -0.44236 0.00022 0.00018 -0.15949 51 4PZ -0.00001 0.00007 0.15486 0.19122 0.00035 52 5XX -0.00008 0.00000 -0.05322 -0.08836 -0.00005 53 5YY 0.00005 0.00001 0.05732 -0.04555 0.00002 54 5ZZ 0.00005 0.00000 -0.03328 0.09717 0.00005 55 5XY 0.00000 -0.00001 0.06409 -0.02132 -0.00003 56 5XZ -0.07356 0.03443 -0.00002 -0.00006 0.09057 57 5YZ 0.02259 0.03119 -0.00004 -0.00007 0.13196 58 4 Cl 1S 0.00000 0.00000 0.00917 -0.00034 0.00001 59 2S 0.00001 -0.00001 -0.00011 -0.01644 -0.00001 60 2PX 0.01883 -0.03203 0.00002 0.00003 -0.01719 61 2PY -0.02460 -0.04862 0.00000 -0.00001 0.01372 62 2PZ 0.00000 0.00000 -0.02644 -0.04352 -0.00002 63 3S -0.00009 -0.00003 0.22630 -0.04771 0.00011 64 3PX -0.09092 0.15016 -0.00008 -0.00009 0.04651 65 3PY 0.10268 0.20105 -0.00001 0.00004 -0.06445 66 3PZ 0.00002 0.00002 0.11818 0.18714 0.00010 67 4S 0.00008 0.00017 -0.70357 0.32415 -0.00022 68 4PX -0.07035 -0.21964 0.00008 -0.00013 0.19496 69 4PY 0.00218 -0.44249 0.00010 0.00004 0.15996 70 4PZ -0.00004 -0.00003 0.15489 -0.19112 0.00000 71 5XX 0.00007 -0.00003 0.05330 -0.08827 -0.00005 72 5YY -0.00003 -0.00002 -0.05717 -0.04558 -0.00002 73 5ZZ -0.00005 0.00003 0.03312 0.09718 0.00007 74 5XY -0.00001 0.00000 -0.06404 -0.02142 -0.00002 75 5XZ -0.07359 -0.03433 -0.00003 -0.00005 0.09055 76 5YZ 0.02262 -0.03122 0.00000 -0.00004 0.13202 77 5 Cl 1S 0.00001 0.00830 0.00000 -0.00537 0.00000 78 2S 0.00000 0.00202 0.00000 -0.00044 0.00000 79 2PX 0.00002 0.06384 0.00003 -0.07833 -0.00008 80 2PY 0.00001 -0.01505 -0.00002 0.06189 0.00004 81 2PZ 0.08655 0.00005 0.15756 0.00004 0.11058 82 3S 0.00014 0.19714 0.00002 -0.12389 -0.00009 83 3PX -0.00009 -0.25024 -0.00011 0.31213 0.00030 84 3PY -0.00002 0.07578 0.00008 -0.24869 -0.00015 85 3PZ -0.33294 -0.00021 -0.61718 -0.00014 -0.43541 86 4S -0.00021 -0.36527 -0.00003 0.21112 0.00016 87 4PX 0.00006 0.23963 0.00013 -0.36546 -0.00036 88 4PY -0.00004 -0.22300 -0.00007 0.37135 0.00024 89 4PZ 0.35518 0.00027 0.70180 0.00013 0.51755 90 5XX 0.00001 -0.00062 0.00001 -0.00745 0.00000 91 5YY 0.00004 0.06642 -0.00002 -0.04380 -0.00005 92 5ZZ -0.00001 -0.00107 0.00002 0.00862 0.00002 93 5XY -0.00002 -0.07047 0.00001 0.07754 0.00009 94 5XZ -0.00493 0.00000 0.01630 -0.00001 0.00535 95 5YZ 0.00274 -0.00004 -0.05500 0.00001 -0.04512 96 6 Cl 1S -0.00001 -0.00830 0.00000 -0.00537 -0.00001 97 2S 0.00000 -0.00203 0.00000 -0.00044 0.00000 98 2PX 0.00001 0.06391 -0.00007 0.07828 0.00003 99 2PY 0.00001 -0.01508 0.00002 -0.06189 0.00000 100 2PZ -0.08667 0.00005 0.15758 0.00013 -0.11046 101 3S -0.00016 -0.19701 0.00006 -0.12386 -0.00012 102 3PX -0.00003 -0.25050 0.00029 -0.31193 -0.00011 103 3PY -0.00004 0.07592 -0.00007 0.24868 0.00001 104 3PZ 0.33337 -0.00019 -0.61725 -0.00053 0.43496 105 4S 0.00026 0.36498 -0.00012 0.21107 0.00025 106 4PX 0.00000 0.23995 -0.00032 0.36528 0.00017 107 4PY -0.00002 -0.22316 0.00014 -0.37132 -0.00005 108 4PZ -0.35569 0.00018 0.70191 0.00061 -0.51702 109 5XX -0.00001 0.00061 0.00000 -0.00745 -0.00001 110 5YY -0.00004 -0.06641 0.00002 -0.04379 -0.00001 111 5ZZ 0.00000 0.00110 0.00001 0.00862 -0.00001 112 5XY 0.00002 0.07051 -0.00005 0.07750 0.00003 113 5XZ -0.00493 0.00000 -0.01632 -0.00001 0.00534 114 5YZ 0.00270 -0.00001 0.05505 0.00007 -0.04510 115 7 Br 1S 0.00000 -0.00421 0.00000 0.00339 0.00000 116 2S 0.00001 0.03440 0.00000 -0.02778 -0.00001 117 3S -0.00002 -0.05529 0.00000 0.04458 0.00002 118 4S -0.00001 -0.05103 0.00000 0.04186 0.00002 119 5S 0.00019 0.83008 0.00001 -0.66443 -0.00025 120 6S -0.00041 -1.87926 -0.00002 1.50702 0.00051 121 7PX -0.00001 -0.02367 0.00001 -0.00325 0.00000 122 7PY 0.00002 -0.01513 0.00000 0.03611 0.00004 123 7PZ 0.00267 0.00003 0.03162 -0.00001 0.05635 124 8PX 0.00003 0.07652 -0.00003 0.01013 0.00000 125 8PY -0.00006 0.04891 0.00001 -0.11628 -0.00012 126 8PZ -0.00856 -0.00009 -0.10171 0.00004 -0.18124 127 9PX -0.00010 -0.27793 0.00011 -0.01013 0.00002 128 9PY 0.00021 -0.17542 -0.00004 0.39135 0.00040 129 9PZ 0.02665 0.00028 0.33503 -0.00013 0.59477 130 10PX 0.00009 0.44167 -0.00010 -0.14083 -0.00005 131 10PY -0.00015 0.26155 0.00004 -0.42228 -0.00039 132 10PZ -0.01835 -0.00026 -0.31506 0.00011 -0.53986 133 11XX 0.00001 0.03700 0.00001 -0.03976 -0.00004 134 11YY 0.00006 0.07274 -0.00005 0.06870 0.00003 135 11ZZ -0.00005 -0.03209 0.00004 -0.09194 -0.00002 136 11XY -0.00003 -0.09590 0.00000 0.04202 0.00006 137 11XZ 0.05537 0.00000 0.04240 -0.00002 0.04656 138 11YZ -0.12767 0.00008 -0.06461 -0.00008 0.05883 139 12XX 0.00006 0.25714 -0.00006 -0.15746 0.00008 140 12YY -0.00018 0.10825 0.00026 -0.68224 -0.00029 141 12ZZ 0.00035 0.60267 -0.00018 0.07002 -0.00005 142 12XY 0.00014 0.43732 -0.00001 -0.18986 -0.00029 143 12XZ -0.25804 0.00000 -0.19623 0.00008 -0.22227 144 12YZ 0.59478 -0.00036 0.30331 0.00037 -0.27913 145 8 Br 1S 0.00000 0.00421 0.00000 0.00338 0.00000 146 2S -0.00001 -0.03443 0.00002 -0.02775 0.00001 147 3S 0.00001 0.05533 -0.00004 0.04454 -0.00001 148 4S 0.00001 0.05107 -0.00003 0.04183 -0.00001 149 5S -0.00017 -0.83067 0.00055 -0.66402 0.00015 150 6S 0.00035 1.88058 -0.00125 1.50617 -0.00034 151 7PX -0.00001 -0.02365 0.00000 0.00327 0.00002 152 7PY 0.00002 -0.01516 0.00003 -0.03610 0.00000 153 7PZ -0.00273 0.00000 0.03166 0.00003 -0.05632 154 8PX 0.00003 0.07645 0.00000 -0.01018 -0.00005 155 8PY -0.00005 0.04900 -0.00008 0.11625 0.00000 156 8PZ 0.00875 0.00001 -0.10183 -0.00011 0.18115 157 9PX -0.00009 -0.27773 0.00003 0.01032 0.00018 158 9PY 0.00017 -0.17572 0.00028 -0.39126 0.00000 159 9PZ -0.02726 -0.00004 0.33543 0.00035 -0.59446 160 10PX 0.00008 0.44161 -0.00015 0.14058 -0.00019 161 10PY -0.00011 0.26187 -0.00030 0.42219 0.00000 162 10PZ 0.01890 0.00007 -0.31544 -0.00030 0.53959 163 11XX -0.00003 -0.03705 0.00003 -0.03976 -0.00003 164 11YY -0.00007 -0.07268 -0.00004 0.06878 0.00004 165 11ZZ 0.00008 0.03202 0.00006 -0.09198 0.00001 166 11XY 0.00005 0.09593 -0.00005 0.04194 -0.00001 167 11XZ 0.05548 -0.00002 -0.04243 -0.00003 0.04653 168 11YZ -0.12755 0.00008 0.06449 0.00002 0.05888 169 12XX 0.00004 -0.25721 0.00013 -0.15726 0.00023 170 12YY 0.00024 -0.10887 0.00048 -0.68239 -0.00009 171 12ZZ -0.00047 -0.60267 0.00004 0.07042 0.00005 172 12XY -0.00023 -0.43745 0.00023 -0.18949 0.00006 173 12XZ -0.25855 0.00010 0.19641 0.00012 -0.22212 174 12YZ 0.59422 -0.00038 -0.30278 -0.00008 -0.27936 121 122 123 124 125 V V V V V Eigenvalues -- 0.51250 0.52471 0.53584 0.55214 0.55749 1 1 Al 1S 0.00001 0.01492 0.00047 -0.00124 0.00001 2 2S 0.00001 0.00040 0.04843 -0.00327 0.00004 3 2PX 0.00001 0.03193 0.00958 -0.01137 0.00001 4 2PY -0.00003 -0.04598 0.02235 0.01674 -0.00001 5 2PZ -0.02623 0.00002 0.00000 -0.00001 -0.00389 6 3S 0.00029 0.62966 0.25054 -0.01674 0.00063 7 3PX 0.00002 -0.24227 0.02018 -0.00435 -0.00014 8 3PY 0.00019 0.30737 0.01096 -0.08483 0.00041 9 3PZ -0.09252 0.00003 0.00002 -0.00003 0.11256 10 4S -0.00156 -1.40214 5.02417 -0.11833 0.00128 11 4PX -0.00013 -0.82153 -1.14624 -0.74557 0.00057 12 4PY -0.00104 -1.49402 1.15767 0.24471 0.00148 13 4PZ -0.60685 0.00050 0.00015 0.00035 0.95593 14 5XX -0.00012 -0.18426 0.00044 0.07664 -0.00011 15 5YY 0.00012 0.06013 -0.11070 -0.25360 -0.00036 16 5ZZ 0.00001 0.01247 0.03687 0.03054 0.00034 17 5XY 0.00000 0.03644 -0.14922 -0.04326 0.00013 18 5XZ 0.12674 -0.00014 0.00002 -0.00008 -0.16466 19 5YZ 0.05052 -0.00003 -0.00004 -0.00010 -0.13203 20 2 Al 1S 0.00001 0.01493 -0.00048 -0.00124 0.00001 21 2S -0.00003 0.00041 -0.04845 -0.00322 -0.00004 22 2PX -0.00002 -0.03193 0.00959 0.01143 -0.00007 23 2PY 0.00004 0.04597 0.02235 -0.01676 0.00003 24 2PZ -0.02623 0.00002 0.00001 -0.00001 0.00388 25 3S 0.00010 0.63001 -0.25082 -0.01654 0.00014 26 3PX 0.00006 0.24227 0.02004 0.00407 0.00048 27 3PY -0.00020 -0.30743 0.01098 0.08463 0.00010 28 3PZ -0.09253 0.00008 0.00002 -0.00013 -0.11234 29 4S -0.00073 -1.40486 -5.02375 -0.11665 -0.00061 30 4PX 0.00070 0.82074 -1.14673 0.74727 -0.00198 31 4PY 0.00114 1.49455 1.15738 -0.24565 0.00030 32 4PZ -0.60702 0.00072 0.00040 -0.00078 -0.95591 33 5XX -0.00014 -0.18436 -0.00041 0.07665 0.00015 34 5YY 0.00021 0.05993 0.11075 -0.25405 0.00032 35 5ZZ 0.00000 0.01263 -0.03684 0.03083 -0.00033 36 5XY 0.00006 0.03646 0.14917 -0.04331 0.00016 37 5XZ -0.12674 0.00004 0.00005 -0.00018 -0.16468 38 5YZ -0.05057 -0.00004 0.00001 -0.00011 -0.13208 39 3 Cl 1S 0.03131 -0.02300 0.00000 0.00850 -0.00002 40 2S -0.00990 0.01791 -0.00001 -0.00922 0.00001 41 2PX 0.00000 0.00000 -0.06415 0.00005 0.03856 42 2PY 0.00000 0.00004 -0.00187 0.00006 0.05911 43 2PZ 0.08255 0.01494 0.00000 0.01073 0.00004 44 3S 0.73797 -0.50477 -0.00001 0.18529 -0.00033 45 3PX -0.00001 0.00002 0.27137 -0.00016 -0.14975 46 3PY -0.00001 -0.00016 -0.00002 -0.00026 -0.25250 47 3PZ -0.35055 -0.04350 0.00000 -0.05801 -0.00019 48 4S -1.68734 0.91232 0.00007 -0.60831 0.00044 49 4PX 0.00001 -0.00007 -1.04842 0.00051 0.44973 50 4PY 0.00006 0.00017 0.18243 0.00015 0.06455 51 4PZ 0.33310 -0.26212 0.00010 0.04852 0.00004 52 5XX -0.02568 0.00592 0.00000 -0.08131 0.00004 53 5YY 0.05274 -0.14470 0.00003 0.04476 -0.00015 54 5ZZ 0.10044 0.02786 -0.00003 0.05630 0.00003 55 5XY -0.14150 0.00792 0.00000 -0.06491 -0.00002 56 5XZ -0.00003 0.00001 0.05954 -0.00001 -0.03468 57 5YZ -0.00006 0.00002 -0.04651 0.00003 0.04989 58 4 Cl 1S -0.03135 -0.02295 0.00000 0.00847 0.00000 59 2S 0.00991 0.01789 -0.00001 -0.00922 0.00003 60 2PX -0.00002 -0.00002 -0.06415 0.00000 -0.03861 61 2PY -0.00003 -0.00001 -0.00188 -0.00001 -0.05924 62 2PZ 0.08257 -0.01508 0.00000 -0.01066 -0.00006 63 3S -0.73893 -0.50365 0.00010 0.18472 0.00006 64 3PX 0.00008 0.00009 0.27142 0.00000 0.14995 65 3PY 0.00012 0.00003 0.00000 0.00006 0.25308 66 3PZ -0.35067 0.04412 0.00001 0.05774 0.00022 67 4S 1.68981 0.90968 -0.00013 -0.60683 -0.00055 68 4PX -0.00018 -0.00002 -1.04848 0.00001 -0.45092 69 4PY -0.00020 -0.00006 0.18229 0.00004 -0.06537 70 4PZ 0.33334 0.26133 -0.00003 -0.04839 0.00024 71 5XX 0.02573 0.00589 -0.00007 -0.08135 0.00001 72 5YY -0.05290 -0.14461 0.00006 0.04474 -0.00014 73 5ZZ -0.10052 0.02798 0.00002 0.05625 0.00014 74 5XY 0.14163 0.00769 -0.00004 -0.06477 -0.00006 75 5XZ -0.00001 0.00000 -0.05957 -0.00003 -0.03468 76 5YZ -0.00004 0.00001 0.04644 0.00004 0.04985 77 5 Cl 1S 0.00000 0.00200 0.00397 -0.01057 -0.00003 78 2S 0.00000 -0.00156 0.00710 -0.00100 0.00000 79 2PX -0.00006 0.01757 -0.03089 0.16286 -0.00007 80 2PY 0.00003 0.04196 -0.00493 0.01107 -0.00001 81 2PZ 0.06671 -0.00002 0.00000 -0.00009 -0.14484 82 3S -0.00002 0.04512 0.11079 -0.25205 -0.00081 83 3PX 0.00023 -0.08077 0.13343 -0.64828 0.00028 84 3PY -0.00011 -0.17434 0.02980 -0.05901 0.00003 85 3PZ -0.26805 0.00010 0.00000 0.00036 0.59057 86 4S 0.00003 -0.20478 -0.38427 0.51005 0.00165 87 4PX -0.00026 0.19619 -0.18244 0.84388 -0.00050 88 4PY 0.00020 0.30271 -0.22786 0.19637 0.00026 89 4PZ 0.39900 -0.00019 0.00003 -0.00052 -0.84920 90 5XX -0.00004 0.00388 -0.05269 0.02919 0.00000 91 5YY 0.00001 -0.04525 0.06770 -0.10232 -0.00019 92 5ZZ 0.00003 0.04633 0.02434 0.00432 -0.00003 93 5XY -0.00004 -0.07661 0.09765 -0.02635 0.00003 94 5XZ -0.01108 0.00001 0.00000 -0.00002 -0.02345 95 5YZ -0.02333 0.00005 -0.00002 0.00012 0.13197 96 6 Cl 1S 0.00000 0.00199 -0.00397 -0.01061 0.00003 97 2S 0.00000 -0.00156 -0.00710 -0.00099 -0.00001 98 2PX -0.00001 -0.01761 -0.03090 -0.16302 0.00023 99 2PY -0.00004 -0.04199 -0.00491 -0.01113 0.00007 100 2PZ 0.06676 -0.00007 -0.00002 0.00010 0.14486 101 3S 0.00011 0.04487 -0.11065 -0.25302 0.00067 102 3PX 0.00005 0.08091 0.13344 0.64889 -0.00092 103 3PY 0.00016 0.17450 0.02971 0.05930 -0.00028 104 3PZ -0.26825 0.00027 0.00008 -0.00041 -0.59062 105 4S -0.00028 -0.20425 0.38405 0.51189 -0.00121 106 4PX -0.00015 -0.19632 -0.18239 -0.84464 0.00119 107 4PY -0.00023 -0.30306 -0.22767 -0.19713 0.00058 108 4PZ 0.39926 -0.00040 -0.00014 0.00059 0.84926 109 5XX 0.00000 0.00391 0.05268 0.02918 0.00002 110 5YY 0.00000 -0.04536 -0.06765 -0.10262 0.00017 111 5ZZ 0.00003 0.04634 -0.02433 0.00435 -0.00002 112 5XY -0.00007 -0.07664 -0.09763 -0.02631 0.00000 113 5XZ 0.01108 -0.00002 -0.00002 -0.00001 -0.02347 114 5YZ 0.02335 -0.00002 -0.00001 0.00007 0.13199 115 7 Br 1S 0.00000 0.00755 -0.00546 0.00257 0.00000 116 2S -0.00004 -0.06588 0.04299 -0.01818 0.00004 117 3S 0.00007 0.11221 -0.06668 0.02481 -0.00006 118 4S 0.00004 0.08857 -0.06777 0.03447 -0.00006 119 5S -0.00101 -1.67974 1.05534 -0.40153 0.00097 120 6S 0.00240 3.95213 -2.45493 0.89448 -0.00232 121 7PX -0.00001 0.01307 -0.05636 0.02543 0.00001 122 7PY -0.00001 -0.01722 0.01372 -0.01319 -0.00002 123 7PZ 0.02556 0.00000 -0.00001 0.00004 0.04300 124 8PX 0.00002 -0.04290 0.18197 -0.08199 -0.00002 125 8PY 0.00003 0.05514 -0.04409 0.04228 0.00006 126 8PZ -0.08204 0.00000 0.00005 -0.00013 -0.13870 127 9PX -0.00004 0.19136 -0.63575 0.27894 0.00004 128 9PY -0.00009 -0.16484 0.14015 -0.12888 -0.00019 129 9PZ 0.26048 -0.00001 -0.00015 0.00042 0.47452 130 10PX -0.00022 -0.57870 0.94430 -0.30502 0.00019 131 10PY 0.00002 0.02516 -0.06468 0.01181 0.00024 132 10PZ -0.15851 -0.00004 0.00012 -0.00043 -0.55935 133 11XX 0.00003 0.04112 -0.04945 -0.04676 0.00001 134 11YY -0.00006 -0.08333 0.07399 0.05211 0.00004 135 11ZZ -0.00006 -0.11854 0.06745 -0.03816 0.00004 136 11XY 0.00000 -0.00930 0.02864 0.00863 0.00002 137 11XZ -0.08569 0.00006 0.00001 0.00001 0.04752 138 11YZ 0.01445 -0.00001 0.00000 -0.00002 -0.02026 139 12XX -0.00069 -1.10117 0.76095 0.03141 0.00046 140 12YY -0.00029 -0.53556 0.19367 -0.43093 0.00033 141 12ZZ -0.00028 -0.37113 0.22544 -0.00918 0.00029 142 12XY 0.00001 0.05759 -0.14556 -0.03306 -0.00011 143 12XZ 0.39480 -0.00029 -0.00005 -0.00006 -0.22016 144 12YZ -0.07157 0.00003 0.00000 0.00009 0.10185 145 8 Br 1S 0.00001 0.00756 0.00546 0.00257 0.00000 146 2S -0.00005 -0.06590 -0.04297 -0.01821 0.00003 147 3S 0.00009 0.11224 0.06665 0.02485 -0.00006 148 4S 0.00006 0.08859 0.06775 0.03449 -0.00003 149 5S -0.00131 -1.68016 -1.05493 -0.40216 0.00098 150 6S 0.00310 3.95314 2.45391 0.89594 -0.00241 151 7PX 0.00001 -0.01309 -0.05637 -0.02543 -0.00001 152 7PY 0.00001 0.01722 0.01371 0.01322 -0.00003 153 7PZ 0.02556 -0.00004 0.00000 -0.00003 -0.04302 154 8PX -0.00002 0.04295 0.18201 0.08199 0.00002 155 8PY -0.00002 -0.05514 -0.04405 -0.04239 0.00009 156 8PZ -0.08204 0.00013 0.00000 0.00009 0.13877 157 9PX 0.00001 -0.19154 -0.63587 -0.27896 -0.00003 158 9PY 0.00005 0.16483 0.14002 0.12920 -0.00025 159 9PZ 0.26047 -0.00044 -0.00001 -0.00030 -0.47475 160 10PX 0.00030 0.57898 0.94430 0.30505 -0.00010 161 10PY 0.00003 -0.02502 -0.06456 -0.01194 0.00000 162 10PZ -0.15849 0.00040 0.00003 0.00040 0.55956 163 11XX 0.00004 0.04113 0.04945 -0.04683 0.00008 164 11YY -0.00009 -0.08332 -0.07397 0.05216 -0.00009 165 11ZZ -0.00008 -0.11860 -0.06743 -0.03821 0.00010 166 11XY -0.00003 -0.00927 -0.02860 0.00869 -0.00004 167 11XZ 0.08572 -0.00003 -0.00002 0.00006 0.04751 168 11YZ -0.01446 0.00002 0.00000 0.00000 -0.02024 169 12XX -0.00093 -1.10142 -0.76070 0.03137 0.00018 170 12YY -0.00034 -0.53584 -0.19352 -0.43153 0.00095 171 12ZZ -0.00036 -0.37108 -0.22532 -0.00936 0.00007 172 12XY 0.00013 0.05749 0.14538 -0.03334 0.00017 173 12XZ -0.39493 0.00014 0.00010 -0.00026 -0.22009 174 12YZ 0.07158 -0.00009 -0.00002 0.00000 0.10175 126 127 128 129 130 V V V V V Eigenvalues -- 0.56384 0.57586 0.60813 0.61307 0.61921 1 1 Al 1S 0.00029 -0.01784 0.00000 0.00010 0.00130 2 2S 0.03903 0.00050 0.00003 -0.03882 -0.00225 3 2PX -0.03311 -0.05844 -0.00004 0.02758 -0.00459 4 2PY 0.00893 0.02884 0.00000 -0.01107 -0.02264 5 2PZ 0.00001 0.00001 0.00569 0.00000 0.00001 6 3S 0.23440 -0.77058 0.00015 -0.16746 0.08029 7 3PX 0.16900 0.54108 0.00050 -0.26197 -0.02878 8 3PY 0.17025 -0.24399 0.00019 -0.09523 -0.07353 9 3PZ -0.00019 0.00000 0.01534 0.00012 -0.00008 10 4S 0.79738 -0.27169 -0.01534 7.54448 -0.72963 11 4PX -0.96822 -1.05799 0.00755 -3.80575 -0.32129 12 4PY 0.68422 -0.64507 -0.00132 1.06790 0.40613 13 4PZ -0.00106 0.00070 0.88651 0.00259 -0.00096 14 5XX -0.10620 -0.03562 0.00012 0.03789 0.14970 15 5YY -0.30324 0.20298 -0.00033 0.04088 -0.27782 16 5ZZ 0.27248 0.02186 0.00020 -0.10286 0.02283 17 5XY 0.00995 -0.11741 0.00028 -0.08798 0.17005 18 5XZ 0.00017 -0.00009 -0.07796 -0.00011 0.00016 19 5YZ 0.00014 -0.00012 0.06024 0.00006 -0.00006 20 2 Al 1S -0.00027 -0.01783 0.00000 -0.00010 0.00130 21 2S -0.03904 0.00049 -0.00008 0.03884 -0.00217 22 2PX -0.03313 0.05843 -0.00005 0.02757 0.00468 23 2PY 0.00897 -0.02882 0.00002 -0.01110 0.02264 24 2PZ -0.00001 0.00000 0.00569 0.00002 -0.00002 25 3S -0.23372 -0.77049 -0.00026 0.16743 0.08048 26 3PX 0.16935 -0.54114 0.00053 -0.26202 0.02810 27 3PY 0.17006 0.24394 0.00034 -0.09536 0.07316 28 3PZ 0.00020 -0.00006 0.01527 -0.00019 0.00010 29 4S -0.79826 -0.27449 0.01371 -7.54375 -0.73973 30 4PX -0.96682 1.05604 0.00786 -3.80672 0.31638 31 4PY 0.68419 0.64587 -0.00258 1.06784 -0.40555 32 4PZ 0.00123 -0.00034 0.88625 0.00162 -0.00045 33 5XX 0.10627 -0.03560 0.00011 -0.03809 0.14971 34 5YY 0.30270 0.20316 -0.00019 -0.04056 -0.27804 35 5ZZ -0.27242 0.02172 -0.00008 0.10282 0.02308 36 5XY -0.00993 -0.11738 -0.00005 0.08773 0.17026 37 5XZ 0.00014 -0.00008 0.07797 0.00022 -0.00008 38 5YZ 0.00016 -0.00003 -0.06028 -0.00009 0.00008 39 3 Cl 1S 0.00000 0.00182 -0.00909 -0.00001 -0.00824 40 2S 0.00000 -0.02498 0.00108 0.00001 -0.00281 41 2PX -0.02317 0.00003 -0.00001 -0.00011 0.00002 42 2PY -0.04754 0.00005 -0.00007 0.03060 0.00003 43 2PZ 0.00003 -0.11713 -0.06279 -0.00009 -0.02521 44 3S 0.00006 -0.02942 -0.21975 -0.00018 -0.20769 45 3PX 0.08391 -0.00013 0.00005 0.00530 -0.00008 46 3PY 0.20978 -0.00021 0.00033 -0.14351 -0.00017 47 3PZ -0.00012 0.48138 0.29865 0.00044 0.10497 48 4S -0.00054 0.76327 0.86912 0.00116 0.46206 49 4PX -0.40092 0.00026 0.00044 -0.24982 -0.00010 50 4PY -0.21335 0.00015 -0.00158 0.65839 0.00081 51 4PZ -0.00003 0.00065 -0.68226 -0.00130 -0.09494 52 5XX -0.00011 0.04497 -0.22308 -0.00041 -0.08075 53 5YY -0.00002 0.19547 0.01452 -0.00001 0.07612 54 5ZZ 0.00013 -0.23529 0.17155 0.00040 -0.04252 55 5XY -0.00012 0.17582 0.01669 -0.00004 -0.05795 56 5XZ -0.01835 -0.00001 -0.00009 0.05428 0.00007 57 5YZ 0.00123 0.00004 0.00012 -0.05845 -0.00009 58 4 Cl 1S 0.00000 0.00183 0.00907 0.00001 -0.00825 59 2S 0.00000 -0.02498 -0.00110 -0.00001 -0.00281 60 2PX -0.02309 -0.00003 -0.00002 -0.00012 0.00004 61 2PY -0.04741 -0.00005 -0.00008 0.03062 0.00009 62 2PZ -0.00005 0.11711 -0.06275 -0.00012 0.02532 63 3S 0.00003 -0.02925 0.21919 0.00034 -0.20794 64 3PX 0.08359 0.00011 0.00007 0.00537 -0.00016 65 3PY 0.20921 0.00021 0.00035 -0.14358 -0.00039 66 3PZ 0.00020 -0.48131 0.29848 0.00057 -0.10550 67 4S -0.00052 0.76297 -0.86775 -0.00126 0.46344 68 4PX -0.39980 -0.00041 0.00036 -0.25027 0.00021 69 4PY -0.21315 -0.00003 -0.00142 0.65850 0.00087 70 4PZ 0.00005 -0.00096 -0.68219 -0.00141 0.09603 71 5XX -0.00008 0.04495 0.22301 0.00045 -0.08114 72 5YY -0.00003 0.19549 -0.01452 -0.00006 0.07605 73 5ZZ 0.00010 -0.23527 -0.17162 -0.00033 -0.04211 74 5XY -0.00013 0.17581 -0.01669 0.00005 -0.05780 75 5XZ 0.01846 -0.00002 0.00008 -0.05435 -0.00006 76 5YZ -0.00126 0.00004 -0.00009 0.05824 0.00000 77 5 Cl 1S -0.02843 0.00981 -0.00005 0.01880 -0.00257 78 2S 0.00171 0.00445 -0.00003 0.00429 -0.02418 79 2PX 0.10821 0.07222 -0.00033 0.15382 0.00661 80 2PY 0.02912 0.01555 -0.00006 -0.01899 -0.12112 81 2PZ 0.00015 -0.00010 -0.08732 -0.00021 0.00008 82 3S -0.66656 0.24296 -0.00122 0.45704 -0.12187 83 3PX -0.42946 -0.29397 0.00136 -0.64217 -0.03235 84 3PY -0.14438 -0.04858 0.00020 0.09073 0.46207 85 3PZ -0.00058 0.00039 0.36163 0.00087 -0.00034 86 4S 1.32876 -0.56053 0.00301 -1.08352 0.58065 87 4PX 0.52748 0.46995 -0.00238 1.14371 0.07997 88 4PY 0.46216 -0.07397 0.00052 -0.37326 -0.31218 89 4PZ 0.00077 -0.00054 -0.58302 -0.00136 0.00048 90 5XX -0.00389 -0.03305 0.00006 0.00227 0.06416 91 5YY -0.20159 0.10299 -0.00033 0.10266 -0.12089 92 5ZZ 0.02716 -0.00001 -0.00007 0.01785 -0.00258 93 5XY 0.00195 -0.00979 0.00026 -0.13677 -0.03861 94 5XZ 0.00002 -0.00003 -0.02007 0.00005 0.00002 95 5YZ -0.00006 0.00007 0.07812 0.00017 0.00001 96 6 Cl 1S 0.02841 0.00983 0.00002 -0.01880 -0.00262 97 2S -0.00172 0.00445 -0.00001 -0.00426 -0.02419 98 2PX 0.10801 -0.07214 -0.00034 0.15385 -0.00645 99 2PY 0.02917 -0.01552 0.00011 -0.01913 0.12114 100 2PZ -0.00016 0.00005 -0.08730 -0.00016 0.00005 101 3S 0.66609 0.24333 0.00056 -0.45700 -0.12300 102 3PX -0.42866 0.29366 0.00143 -0.64230 0.03171 103 3PY -0.14456 0.04846 -0.00045 0.09126 -0.46209 104 3PZ 0.00064 -0.00022 0.36151 0.00066 -0.00021 105 4S -1.32772 -0.56119 -0.00121 1.08315 0.58336 106 4PX 0.52637 -0.46945 -0.00250 1.14401 -0.07865 107 4PY 0.46198 0.07424 0.00079 -0.37362 0.31157 108 4PZ -0.00090 0.00034 -0.58283 -0.00108 0.00028 109 5XX 0.00397 -0.03305 0.00007 -0.00236 0.06415 110 5YY 0.20134 0.10311 0.00006 -0.10250 -0.12119 111 5ZZ -0.02712 -0.00003 0.00001 -0.01787 -0.00258 112 5XY -0.00202 -0.00978 -0.00031 0.13686 -0.03844 113 5XZ 0.00002 -0.00001 0.02006 0.00008 -0.00001 114 5YZ -0.00012 0.00008 -0.07807 -0.00016 -0.00004 115 7 Br 1S 0.00086 0.00160 -0.00001 0.00511 0.00661 116 2S -0.01024 -0.01948 0.00006 -0.03949 -0.04557 117 3S 0.02160 0.04144 -0.00010 0.05939 0.05908 118 4S 0.00680 0.01248 -0.00010 0.06754 0.09399 119 5S -0.35350 -0.71753 0.00143 -0.78710 -0.68075 120 6S 0.85202 1.86891 -0.00322 1.68294 1.28335 121 7PX 0.00006 -0.04303 0.00004 -0.01516 0.02594 122 7PY -0.02229 0.02260 0.00000 0.02575 0.05646 123 7PZ -0.00004 0.00002 0.06393 0.00016 -0.00006 124 8PX -0.00038 0.13846 -0.00014 0.04884 -0.08382 125 8PY 0.07162 -0.07310 0.00000 -0.08343 -0.18249 126 8PZ 0.00011 -0.00007 -0.20667 -0.00053 0.00018 127 9PX 0.01325 -0.44963 0.00047 -0.16297 0.28733 128 9PY -0.22576 0.26066 -0.00005 0.30429 0.63537 129 9PZ -0.00040 0.00024 0.72604 0.00186 -0.00063 130 10PX -0.03978 0.29443 -0.00048 0.19110 -0.32550 131 10PY 0.11037 -0.36253 0.00028 -0.46078 -0.74404 132 10PZ 0.00050 -0.00030 -0.88430 -0.00227 0.00079 133 11XX -0.04019 -0.01022 0.00004 -0.01875 -0.00327 134 11YY 0.04178 -0.00693 0.00009 -0.06241 -0.05977 135 11ZZ -0.03407 -0.04533 0.00001 -0.00125 -0.01490 136 11XY 0.03583 -0.00401 -0.00006 0.02579 0.00079 137 11XZ -0.00004 0.00004 -0.03881 -0.00010 0.00002 138 11YZ 0.00001 -0.00001 -0.01514 -0.00006 0.00001 139 12XX -0.02010 -0.35301 0.00059 -0.33687 -0.32999 140 12YY -0.39996 -0.37617 0.00033 -0.10864 -0.04382 141 12ZZ -0.04778 -0.19214 0.00072 -0.42033 -0.26158 142 12XY -0.16500 0.02540 0.00026 -0.12128 -0.00546 143 12XZ 0.00020 -0.00018 0.20342 0.00052 -0.00011 144 12YZ -0.00008 0.00005 0.08028 0.00033 -0.00008 145 8 Br 1S -0.00085 0.00160 0.00002 -0.00512 0.00661 146 2S 0.01017 -0.01945 -0.00012 0.03955 -0.04552 147 3S -0.02150 0.04140 0.00018 -0.05948 0.05901 148 4S -0.00665 0.01244 0.00020 -0.06767 0.09392 149 5S 0.35198 -0.71684 -0.00238 0.78830 -0.67965 150 6S -0.84880 1.86732 0.00514 -1.68540 1.28083 151 7PX -0.00003 0.04302 0.00002 -0.01514 -0.02597 152 7PY -0.02229 -0.02260 -0.00009 0.02583 -0.05645 153 7PZ 0.00005 -0.00003 0.06391 0.00012 -0.00005 154 8PX -0.00011 -0.13845 -0.00006 0.04878 0.08390 155 8PY 0.07160 0.07309 0.00030 -0.08371 0.18246 156 8PZ -0.00016 0.00011 -0.20663 -0.00039 0.00015 157 9PX 0.01232 0.44963 0.00017 -0.16276 -0.28760 158 9PY -0.22574 -0.26063 -0.00109 0.30526 -0.63526 159 9PZ 0.00056 -0.00037 0.72590 0.00136 -0.00053 160 10PX -0.03866 -0.29455 -0.00006 0.19081 0.32568 161 10PY 0.11058 0.36242 0.00156 -0.46191 0.74377 162 10PZ -0.00069 0.00045 -0.88414 -0.00167 0.00064 163 11XX 0.04014 -0.01018 -0.00005 0.01876 -0.00327 164 11YY -0.04177 -0.00694 -0.00018 0.06251 -0.05966 165 11ZZ 0.03396 -0.04530 -0.00001 0.00128 -0.01491 166 11XY -0.03580 -0.00404 0.00005 -0.02581 0.00079 167 11XZ -0.00004 0.00001 0.03881 0.00007 -0.00003 168 11YZ 0.00003 -0.00001 0.01514 0.00003 0.00000 169 12XX 0.01957 -0.35286 -0.00101 0.33749 -0.32944 170 12YY 0.39919 -0.37578 -0.00034 0.10879 -0.04380 171 12ZZ 0.04756 -0.19186 -0.00125 0.42081 -0.26092 172 12XY 0.16484 0.02557 -0.00024 0.12137 -0.00551 173 12XZ 0.00020 -0.00005 -0.20339 -0.00035 0.00014 174 12YZ -0.00014 0.00004 -0.08027 -0.00014 0.00001 131 132 133 134 135 V V V V V Eigenvalues -- 0.66092 0.66409 0.66987 0.69897 0.70343 1 1 Al 1S -0.00290 0.00002 0.00512 0.00837 -0.00691 2 2S -0.00525 0.00008 0.00067 0.07313 -0.10887 3 2PX 0.03742 -0.00019 0.02798 -0.05341 -0.02753 4 2PY 0.05006 -0.00023 0.00472 0.02114 0.00549 5 2PZ -0.00020 -0.03891 0.00000 0.00002 0.00000 6 3S -0.14173 0.00111 0.27214 0.65507 -0.79601 7 3PX -0.26806 0.00130 -0.15027 0.38861 0.53341 8 3PY -0.33037 0.00159 0.12079 -0.23048 -0.12440 9 3PZ 0.00148 0.30283 -0.00001 -0.00008 -0.00008 10 4S -0.71849 0.00052 -0.43481 -0.77629 -1.48901 11 4PX -0.14152 0.00215 0.23753 0.91709 1.08989 12 4PY -0.82876 0.00316 1.97343 -1.00985 0.28388 13 4PZ 0.00284 0.59407 -0.00060 0.00013 -0.00018 14 5XX -0.07589 0.00017 -0.02359 -0.52798 0.15056 15 5YY 0.15687 -0.00075 -0.17861 -0.14234 -0.05823 16 5ZZ -0.06973 0.00048 0.03111 0.63689 0.04527 17 5XY -0.13310 0.00073 0.03854 0.29000 0.03805 18 5XZ 0.00105 0.24659 0.00000 0.00012 0.00023 19 5YZ 0.00074 0.13862 0.00012 -0.00023 -0.00002 20 2 Al 1S 0.00291 -0.00001 0.00513 -0.00841 -0.00684 21 2S 0.00531 -0.00002 0.00074 -0.07395 -0.10833 22 2PX 0.03733 -0.00020 -0.02801 -0.05322 0.02796 23 2PY 0.05003 -0.00023 -0.00487 0.02112 -0.00561 24 2PZ 0.00020 0.03892 0.00000 -0.00001 0.00001 25 3S 0.14289 -0.00067 0.27276 -0.66065 -0.79111 26 3PX -0.26745 0.00156 0.15048 0.38464 -0.53654 27 3PY -0.33069 0.00154 -0.11956 -0.22997 0.12582 28 3PZ -0.00149 -0.30305 0.00004 0.00006 -0.00002 29 4S 0.71781 0.00017 -0.44046 0.76495 -1.49197 30 4PX -0.14232 0.00232 -0.23944 0.90836 -1.09536 31 4PY -0.83359 0.00356 -1.96945 -1.01527 -0.27760 32 4PZ -0.00279 -0.59422 -0.00027 0.00005 -0.00006 33 5XX 0.07562 -0.00026 -0.02472 0.52898 0.14639 34 5YY -0.15726 0.00081 -0.17842 0.14178 -0.05935 35 5ZZ 0.06985 -0.00054 0.03205 -0.63652 0.05029 36 5XY 0.13315 -0.00076 0.03877 -0.28976 0.04040 37 5XZ 0.00127 0.24671 0.00009 -0.00019 -0.00016 38 5YZ 0.00054 0.13849 -0.00001 0.00012 0.00012 39 3 Cl 1S 0.00000 0.00001 -0.00449 -0.00010 -0.02431 40 2S 0.00002 0.00002 0.01054 -0.00018 -0.04942 41 2PX 0.05600 -0.04940 -0.00018 0.05960 -0.00027 42 2PY 0.13071 -0.09143 -0.00017 -0.02117 0.00007 43 2PZ 0.00003 0.00000 0.01293 -0.00028 -0.07472 44 3S 0.00005 0.00037 -0.08019 -0.00291 -0.73288 45 3PX -0.25724 0.16587 0.00077 -0.23179 0.00105 46 3PY -0.58281 0.40577 0.00080 0.06853 -0.00021 47 3PZ -0.00009 0.00003 -0.05841 0.00117 0.31387 48 4S -0.00062 -0.00106 -0.32259 0.01193 3.22425 49 4PX 0.70266 0.14340 -0.00106 -0.42776 0.00160 50 4PY 1.08503 -0.57055 -0.00179 0.48052 -0.00195 51 4PZ -0.00015 -0.00024 -0.09741 0.00070 0.22773 52 5XX 0.00022 -0.00002 0.19000 -0.00043 -0.15681 53 5YY -0.00046 0.00002 -0.24427 0.00048 0.16601 54 5ZZ 0.00026 0.00009 0.03652 -0.00069 -0.17178 55 5XY 0.00025 0.00009 0.09791 0.00039 0.10411 56 5XZ 0.00234 -0.08134 0.00000 0.04484 -0.00021 57 5YZ 0.04619 -0.15400 -0.00002 -0.07999 0.00036 58 4 Cl 1S -0.00001 0.00000 -0.00450 -0.00009 -0.02430 59 2S 0.00002 0.00000 0.01054 -0.00017 -0.04940 60 2PX 0.05647 0.04892 -0.00014 0.05955 -0.00022 61 2PY 0.13153 0.09016 -0.00013 -0.02119 0.00010 62 2PZ -0.00004 0.00000 -0.01291 0.00025 0.07475 63 3S -0.00015 -0.00010 -0.08037 -0.00259 -0.73244 64 3PX -0.25882 -0.16365 0.00062 -0.23160 0.00083 65 3PY -0.58646 -0.40011 0.00059 0.06865 -0.00034 66 3PZ 0.00019 0.00001 0.05832 -0.00105 -0.31410 67 4S -0.00072 -0.00015 -0.32219 0.01138 3.22414 68 4PX 0.70120 -0.14983 -0.00069 -0.42787 0.00179 69 4PY 1.09025 0.55992 -0.00161 0.48030 -0.00168 70 4PZ 0.00013 0.00012 0.09809 -0.00091 -0.22759 71 5XX 0.00031 0.00007 0.18988 -0.00039 -0.15701 72 5YY -0.00033 0.00001 -0.24429 0.00037 0.16596 73 5ZZ -0.00003 -0.00010 0.03661 -0.00054 -0.17138 74 5XY 0.00002 -0.00014 0.09780 0.00057 0.10438 75 5XZ -0.00310 -0.08134 0.00007 -0.04480 0.00016 76 5YZ -0.04749 -0.15362 0.00003 0.07995 -0.00028 77 5 Cl 1S -0.00573 0.00003 -0.04036 0.02810 -0.01920 78 2S 0.02165 -0.00010 -0.00383 -0.00102 -0.01308 79 2PX 0.00861 -0.00008 0.01704 -0.00217 -0.03188 80 2PY 0.12551 -0.00059 0.03708 -0.03432 -0.01607 81 2PZ -0.00008 -0.01344 0.00001 0.00003 -0.00001 82 3S -0.08197 0.00043 -0.97563 0.67228 -0.49336 83 3PX -0.03598 0.00033 -0.07292 0.00844 0.15336 84 3PY -0.50445 0.00237 -0.17502 0.15344 0.04351 85 3PZ 0.00031 0.05458 -0.00004 -0.00011 0.00005 86 4S -0.22580 0.00095 2.22814 -1.47685 1.20244 87 4PX 0.11393 -0.00088 0.07573 -0.03275 -0.45482 88 4PY 0.50732 -0.00237 0.55830 -0.43858 0.24215 89 4PZ -0.00051 -0.11836 0.00003 0.00015 -0.00014 90 5XX -0.00434 0.00002 0.04899 -0.00189 -0.05527 91 5YY 0.02124 -0.00011 -0.22507 0.10871 -0.14391 92 5ZZ -0.01559 0.00009 -0.06536 0.05246 0.06436 93 5XY 0.02038 0.00000 -0.05685 -0.04550 0.26532 94 5XZ 0.00051 0.09781 0.00003 0.00001 -0.00010 95 5YZ -0.00027 -0.01979 -0.00005 0.00017 0.00019 96 6 Cl 1S 0.00563 -0.00002 -0.04034 -0.02830 -0.01900 97 2S -0.02164 0.00011 -0.00378 0.00093 -0.01310 98 2PX 0.00856 -0.00008 -0.01702 -0.00196 0.03190 99 2PY 0.12535 -0.00059 -0.03734 -0.03428 0.01638 100 2PZ 0.00007 0.01345 0.00001 -0.00001 0.00000 101 3S 0.07958 -0.00013 -0.97500 -0.67745 -0.48855 102 3PX -0.03574 0.00035 0.07288 0.00743 -0.15341 103 3PY -0.50374 0.00237 0.17605 0.15346 -0.04485 104 3PZ -0.00029 -0.05462 -0.00002 0.00004 0.00000 105 4S 0.23105 -0.00172 2.22578 1.48920 1.19205 106 4PX 0.11362 -0.00093 -0.07577 -0.02949 0.45498 107 4PY 0.50576 -0.00222 -0.55903 -0.44127 -0.23876 108 4PZ 0.00059 0.11845 0.00001 -0.00012 -0.00006 109 5XX 0.00444 -0.00002 0.04900 0.00154 -0.05532 110 5YY -0.02173 0.00020 -0.22492 -0.11008 -0.14319 111 5ZZ 0.01540 -0.00010 -0.06531 -0.05210 0.06481 112 5XY -0.02063 0.00002 -0.05692 0.04734 0.26486 113 5XZ 0.00046 0.09787 -0.00001 0.00000 0.00004 114 5YZ -0.00004 -0.01968 0.00000 -0.00009 -0.00016 115 7 Br 1S -0.00220 0.00001 -0.00634 -0.00222 -0.00127 116 2S 0.01061 -0.00003 0.04240 0.01705 0.00822 117 3S -0.00451 -0.00001 -0.05237 -0.02567 -0.00943 118 4S -0.03911 0.00015 -0.09257 -0.02905 -0.01952 119 5S -0.30079 0.00174 0.74799 0.35069 0.13910 120 6S 1.04869 -0.00557 -1.54639 -0.75735 -0.30080 121 7PX -0.02861 0.00013 -0.03633 0.00164 0.00723 122 7PY -0.03427 0.00015 0.01427 -0.04001 -0.03107 123 7PZ 0.00025 0.05026 -0.00002 0.00000 0.00000 124 8PX 0.09217 -0.00043 0.11773 -0.00525 -0.02351 125 8PY 0.11074 -0.00047 -0.04645 0.12985 0.10085 126 8PZ -0.00080 -0.16295 0.00005 0.00001 0.00001 127 9PX -0.29400 0.00138 -0.42806 0.01894 0.08786 128 9PY -0.37804 0.00160 0.18037 -0.47687 -0.37186 129 9PZ 0.00289 0.59204 -0.00020 -0.00002 -0.00003 130 10PX 0.04910 -0.00025 0.63614 -0.00500 -0.16272 131 10PY 0.34702 -0.00138 -0.31277 0.70598 0.49852 132 10PZ -0.00365 -0.75652 0.00028 0.00000 0.00004 133 11XX -0.00055 0.00001 0.04351 0.00876 -0.00863 134 11YY 0.00341 0.00000 -0.00628 0.01053 0.01211 135 11ZZ -0.00023 0.00001 0.03075 0.01587 0.00867 136 11XY -0.01730 0.00007 -0.01469 0.03560 0.04617 137 11XZ -0.00040 -0.08435 0.00000 0.00001 -0.00001 138 11YZ -0.00020 -0.04180 0.00000 0.00000 -0.00002 139 12XX -0.11430 0.00068 0.09904 0.14962 0.10971 140 12YY -0.16944 0.00088 0.37806 0.11884 -0.01303 141 12ZZ -0.15950 0.00085 0.17750 0.11064 0.01359 142 12XY 0.10216 -0.00041 0.08233 -0.18833 -0.23843 143 12XZ 0.00201 0.42651 -0.00002 -0.00007 0.00005 144 12YZ 0.00103 0.21217 -0.00002 0.00000 0.00008 145 8 Br 1S 0.00218 -0.00001 -0.00635 0.00219 -0.00129 146 2S -0.01047 0.00003 0.04245 -0.01689 0.00834 147 3S 0.00433 0.00001 -0.05242 0.02547 -0.00962 148 4S 0.03882 -0.00014 -0.09273 0.02871 -0.01974 149 5S 0.30319 -0.00170 0.74776 -0.34784 0.14181 150 6S -1.05365 0.00543 -1.54482 0.75125 -0.30669 151 7PX -0.02850 0.00013 0.03640 0.00165 -0.00723 152 7PY -0.03429 0.00015 -0.01411 -0.03979 0.03133 153 7PZ -0.00023 -0.05027 -0.00001 0.00001 -0.00001 154 8PX 0.09182 -0.00041 -0.11797 -0.00530 0.02349 155 8PY 0.11079 -0.00047 0.04596 0.12913 -0.10169 156 8PZ 0.00075 0.16298 0.00004 -0.00003 0.00002 157 9PX -0.29272 0.00133 0.42885 0.01915 -0.08779 158 9PY -0.37825 0.00160 -0.17864 -0.47424 0.37496 159 9PZ -0.00272 -0.59215 -0.00014 0.00010 -0.00007 160 10PX 0.04728 -0.00025 -0.63627 -0.00520 0.16238 161 10PY 0.34744 -0.00142 0.31075 0.70256 -0.50323 162 10PZ 0.00341 0.75667 0.00018 -0.00014 0.00007 163 11XX 0.00064 0.00000 0.04356 -0.00871 -0.00854 164 11YY -0.00337 0.00001 -0.00630 -0.01045 0.01215 165 11ZZ 0.00032 -0.00003 0.03079 -0.01574 0.00879 166 11XY 0.01725 -0.00007 -0.01469 -0.03528 0.04643 167 11XZ -0.00037 -0.08435 -0.00003 0.00003 -0.00002 168 11YZ -0.00021 -0.04184 -0.00001 0.00002 0.00001 169 12XX 0.11493 -0.00069 0.09881 -0.14857 0.11069 170 12YY 0.17037 -0.00090 0.37806 -0.11799 -0.01195 171 12ZZ 0.16014 -0.00074 0.17716 -0.11003 0.01443 172 12XY -0.10190 0.00043 0.08234 0.18666 -0.23979 173 12XZ 0.00188 0.42653 0.00015 -0.00015 0.00009 174 12YZ 0.00104 0.21237 0.00007 -0.00007 -0.00007 136 137 138 139 140 V V V V V Eigenvalues -- 0.71659 0.72924 0.78786 0.82223 0.84845 1 1 Al 1S -0.00259 0.00000 0.00000 -0.02000 0.00001 2 2S -0.01387 -0.00002 -0.00002 0.20718 0.00004 3 2PX -0.00278 0.00005 -0.00002 -0.01156 -0.00001 4 2PY -0.00532 0.00000 -0.00001 0.06166 -0.00002 5 2PZ 0.00001 0.00026 -0.04738 -0.00003 -0.02314 6 3S -0.21699 -0.00030 -0.00004 0.08448 0.00064 7 3PX 0.01545 -0.00044 0.00015 -0.22298 -0.00003 8 3PY 0.01550 0.00014 0.00003 -0.35980 0.00016 9 3PZ 0.00015 -0.02604 -0.26406 0.00007 0.18645 10 4S -1.74460 -0.00100 -0.00098 5.07563 -0.00132 11 4PX 0.95188 0.00034 0.00033 -1.76625 0.00039 12 4PY -1.00226 -0.00108 -0.00038 0.75324 -0.00007 13 4PZ 0.00019 0.11826 -0.50676 0.00035 0.27835 14 5XX 0.44704 0.00054 0.00014 -0.42331 -0.00018 15 5YY 0.17232 0.00031 0.00000 0.07377 0.00004 16 5ZZ -0.47730 -0.00059 -0.00014 0.36107 -0.00034 17 5XY -0.25505 -0.00045 -0.00007 0.14505 0.00008 18 5XZ -0.00032 0.42954 -0.31127 0.00021 0.29253 19 5YZ 0.00022 -0.27258 0.22711 0.00003 0.26945 20 2 Al 1S 0.00259 0.00001 -0.00001 0.02000 -0.00001 21 2S 0.01394 0.00004 0.00006 -0.20710 0.00019 22 2PX -0.00279 0.00001 -0.00001 -0.01154 -0.00004 23 2PY -0.00534 0.00001 -0.00003 0.06167 -0.00004 24 2PZ -0.00001 0.00026 0.04737 0.00004 0.02313 25 3S 0.21722 0.00052 -0.00009 -0.08408 0.00044 26 3PX 0.01578 -0.00006 0.00017 -0.22301 0.00064 27 3PY 0.01562 -0.00007 0.00016 -0.36005 0.00021 28 3PZ -0.00006 -0.02619 0.26405 -0.00006 -0.18671 29 4S 1.74588 0.00251 0.00098 -5.07555 0.00016 30 4PX 0.95297 0.00115 0.00057 -1.76648 0.00040 31 4PY -1.00099 -0.00082 -0.00043 0.75310 0.00009 32 4PZ -0.00054 0.11787 0.50678 0.00033 -0.27852 33 5XX -0.44706 -0.00056 -0.00026 0.42331 -0.00044 34 5YY -0.17226 -0.00025 -0.00004 -0.07377 0.00009 35 5ZZ 0.47726 0.00072 0.00024 -0.36114 -0.00007 36 5XY 0.25497 0.00035 0.00007 -0.14491 -0.00011 37 5XZ 0.00058 -0.42938 -0.31147 -0.00012 0.29271 38 5YZ -0.00036 0.27242 0.22722 0.00015 0.26950 39 3 Cl 1S 0.00003 -0.02026 0.00000 0.00000 0.00002 40 2S 0.00003 -0.02695 -0.00001 -0.00001 0.00002 41 2PX -0.07986 -0.00006 -0.14160 -0.11311 0.01640 42 2PY 0.00383 -0.00001 0.05721 0.05048 0.01719 43 2PZ 0.00001 0.02391 0.00001 -0.00001 -0.00008 44 3S 0.00077 -0.56291 -0.00002 -0.00002 0.00058 45 3PX 0.32806 0.00019 0.69787 0.52673 -0.10462 46 3PY -0.02113 0.00009 -0.29183 -0.24715 -0.05218 47 3PZ 0.00006 -0.20089 -0.00007 0.00001 0.00041 48 4S -0.00128 0.39388 -0.00001 0.00007 -0.00084 49 4PX 0.17778 0.00060 -1.21209 -1.57430 0.47015 50 4PY -0.13624 -0.00028 0.58019 0.93502 0.30816 51 4PZ -0.00001 -0.08833 0.00009 0.00001 -0.00076 52 5XX -0.00015 0.16403 0.00003 0.00007 0.00000 53 5YY -0.00004 0.06269 -0.00004 -0.00016 0.00022 54 5ZZ 0.00039 -0.40350 -0.00002 0.00006 -0.00009 55 5XY 0.00031 -0.36789 -0.00002 0.00005 -0.00013 56 5XZ -0.08916 -0.00019 -0.33855 -0.13910 0.26165 57 5YZ -0.06742 -0.00015 0.22177 0.14088 0.47679 58 4 Cl 1S 0.00000 0.02027 0.00001 0.00001 0.00001 59 2S -0.00001 0.02699 0.00001 0.00001 -0.00003 60 2PX -0.07994 -0.00007 0.14161 -0.11304 -0.01634 61 2PY 0.00387 0.00009 -0.05722 0.05041 -0.01726 62 2PZ -0.00004 0.02380 0.00000 0.00002 0.00006 63 3S -0.00013 0.56327 0.00015 0.00032 0.00009 64 3PX 0.32847 0.00029 -0.69790 0.52642 0.10437 65 3PY -0.02133 -0.00039 0.29190 -0.24689 0.05247 66 3PZ 0.00024 -0.20038 -0.00002 -0.00013 -0.00026 67 4S -0.00085 -0.39634 -0.00007 -0.00050 0.00037 68 4PX 0.17703 0.00031 1.21262 -1.57393 -0.46952 69 4PY -0.13586 0.00037 -0.58052 0.93450 -0.30901 70 4PZ 0.00007 -0.08847 -0.00013 0.00026 0.00029 71 5XX 0.00017 -0.16389 -0.00007 -0.00005 0.00004 72 5YY 0.00006 -0.06296 0.00000 0.00017 -0.00015 73 5ZZ -0.00032 0.40370 0.00011 -0.00005 0.00008 74 5XY -0.00038 0.36785 0.00014 0.00002 0.00003 75 5XZ 0.08932 0.00010 -0.33855 0.13905 0.26157 76 5YZ 0.06730 -0.00020 0.22192 -0.14048 0.47687 77 5 Cl 1S 0.01673 0.00001 0.00001 0.00054 -0.00001 78 2S 0.00811 0.00003 0.00000 0.01588 0.00000 79 2PX 0.02041 0.00003 0.00001 -0.01059 -0.00001 80 2PY 0.01685 0.00010 -0.00002 0.03431 -0.00001 81 2PZ -0.00001 0.00553 -0.00697 -0.00003 -0.03581 82 3S 0.42309 0.00033 0.00024 0.05225 -0.00014 83 3PX -0.07497 -0.00011 -0.00003 0.03474 0.00005 84 3PY -0.04649 -0.00038 0.00009 -0.14044 0.00002 85 3PZ 0.00003 -0.00790 0.02494 0.00011 0.14542 86 4S -0.94579 -0.00103 -0.00041 -0.47040 0.00035 87 4PX 0.04434 0.00020 0.00007 0.09544 -0.00011 88 4PY -0.13135 0.00016 -0.00018 -0.02342 0.00004 89 4PZ 0.00006 -0.06621 0.01980 -0.00007 -0.21066 90 5XX 0.01421 0.00001 -0.00008 0.00243 -0.00020 91 5YY 0.21082 0.00044 0.00002 0.07429 -0.00017 92 5ZZ -0.11535 -0.00033 0.00012 -0.04711 0.00034 93 5XY 0.15266 0.00014 -0.00015 -0.25399 0.00007 94 5XZ -0.00003 0.03128 -0.24567 0.00049 0.13645 95 5YZ -0.00043 0.31695 -0.12306 -0.00043 -0.37826 96 6 Cl 1S -0.01670 0.00000 -0.00001 -0.00054 -0.00001 97 2S -0.00810 -0.00001 0.00000 -0.01588 0.00001 98 2PX 0.02038 0.00000 0.00001 -0.01056 0.00003 99 2PY 0.01683 0.00004 -0.00001 0.03432 -0.00007 100 2PZ 0.00001 0.00552 0.00698 0.00001 0.03583 101 3S -0.42238 0.00001 -0.00016 -0.05218 -0.00032 102 3PX -0.07485 0.00001 -0.00005 0.03465 -0.00013 103 3PY -0.04644 -0.00015 0.00005 -0.14047 0.00029 104 3PZ -0.00004 -0.00789 -0.02496 -0.00002 -0.14552 105 4S 0.94396 0.00004 0.00028 0.47028 0.00041 106 4PX 0.04397 -0.00015 0.00001 0.09556 0.00013 107 4PY -0.13104 0.00019 -0.00008 -0.02334 -0.00039 108 4PZ 0.00012 -0.06619 -0.01977 -0.00002 0.21079 109 5XX -0.01420 0.00000 -0.00002 -0.00245 -0.00003 110 5YY -0.21066 -0.00006 -0.00003 -0.07426 0.00015 111 5ZZ 0.11536 0.00005 0.00001 0.04712 -0.00016 112 5XY -0.15285 -0.00030 -0.00010 0.25384 -0.00014 113 5XZ 0.00007 -0.03116 -0.24583 -0.00014 0.13701 114 5YZ 0.00025 -0.31691 -0.12309 -0.00012 -0.37876 115 7 Br 1S 0.00244 0.00000 0.00000 0.00443 0.00000 116 2S -0.01656 0.00000 0.00000 -0.03040 -0.00002 117 3S 0.02075 0.00001 0.00000 0.03888 0.00002 118 4S 0.03634 0.00000 0.00001 0.06552 0.00005 119 5S -0.18918 -0.00014 -0.00001 -0.55250 -0.00022 120 6S 0.33529 0.00045 0.00002 0.87754 0.00035 121 7PX 0.03333 0.00001 0.00000 0.02542 0.00001 122 7PY -0.03146 -0.00002 -0.00001 0.01186 0.00000 123 7PZ 0.00000 0.00688 0.00499 0.00001 0.00130 124 8PX -0.10810 -0.00003 -0.00001 -0.08333 -0.00003 125 8PY 0.10232 0.00007 0.00002 -0.03896 -0.00002 126 8PZ 0.00001 -0.02246 -0.01616 -0.00003 -0.00446 127 9PX 0.38770 0.00012 0.00003 0.34926 0.00010 128 9PY -0.39028 -0.00027 -0.00010 0.17012 0.00006 129 9PZ -0.00004 0.08892 0.05631 0.00012 0.03024 130 10PX -0.50489 -0.00025 -0.00003 -0.49552 -0.00014 131 10PY 0.57759 0.00034 0.00018 -0.30242 -0.00010 132 10PZ 0.00004 -0.13562 -0.02737 -0.00021 -0.09417 133 11XX -0.04696 -0.00003 0.00000 -0.07756 0.00000 134 11YY 0.04312 0.00004 0.00001 0.00192 -0.00002 135 11ZZ -0.02358 -0.00002 -0.00001 0.02436 -0.00001 136 11XY 0.03709 0.00000 0.00003 -0.04617 -0.00001 137 11XZ 0.00002 -0.01570 -0.02608 -0.00002 -0.01646 138 11YZ 0.00001 -0.02635 0.01472 -0.00002 -0.02339 139 12XX 0.14311 0.00008 0.00002 0.15388 -0.00008 140 12YY -0.31842 -0.00029 -0.00005 -0.27091 0.00001 141 12ZZ 0.02685 0.00002 0.00005 -0.39766 -0.00004 142 12XY -0.20071 0.00001 -0.00014 0.25431 0.00004 143 12XZ -0.00008 0.08312 0.12614 0.00012 0.09024 144 12YZ -0.00006 0.13156 -0.07711 0.00008 0.12210 145 8 Br 1S -0.00244 0.00000 0.00000 -0.00443 0.00001 146 2S 0.01653 0.00003 -0.00001 0.03039 -0.00006 147 3S -0.02071 -0.00004 0.00001 -0.03887 0.00008 148 4S -0.03627 -0.00006 0.00002 -0.06549 0.00012 149 5S 0.18866 0.00049 -0.00029 0.55253 -0.00134 150 6S -0.33419 -0.00099 0.00057 -0.87778 0.00264 151 7PX 0.03332 0.00004 0.00000 0.02541 -0.00004 152 7PY -0.03146 -0.00003 -0.00001 0.01186 -0.00001 153 7PZ -0.00001 0.00686 -0.00498 0.00000 -0.00130 154 8PX -0.10806 -0.00013 0.00000 -0.08329 0.00012 155 8PY 0.10235 0.00011 0.00005 -0.03896 0.00003 156 8PZ 0.00004 -0.02240 0.01614 -0.00001 0.00448 157 9PX 0.38757 0.00047 -0.00003 0.34911 -0.00052 158 9PY -0.39038 -0.00041 -0.00019 0.17013 -0.00014 159 9PZ -0.00017 0.08870 -0.05622 0.00004 -0.03031 160 10PX -0.50471 -0.00072 0.00013 -0.49542 0.00103 161 10PY 0.57769 0.00057 0.00036 -0.30250 0.00037 162 10PZ 0.00028 -0.13532 0.02725 -0.00007 0.09430 163 11XX 0.04693 0.00006 -0.00002 0.07754 -0.00010 164 11YY -0.04313 -0.00005 -0.00002 -0.00190 -0.00001 165 11ZZ 0.02357 0.00003 0.00002 -0.02437 0.00000 166 11XY -0.03709 -0.00004 -0.00004 0.04620 -0.00006 167 11XZ -0.00002 0.01566 -0.02606 0.00000 -0.01647 168 11YZ -0.00006 0.02634 0.01472 0.00001 -0.02341 169 12XX -0.14322 -0.00009 -0.00001 -0.15377 -0.00005 170 12YY 0.31821 0.00048 -0.00001 0.27085 -0.00057 171 12ZZ -0.02700 0.00008 -0.00025 0.39773 -0.00063 172 12XY 0.20071 0.00021 0.00023 -0.25444 0.00035 173 12XZ 0.00013 -0.08296 0.12607 -0.00001 0.09029 174 12YZ 0.00030 -0.13149 -0.07713 -0.00006 0.12221 141 142 143 144 145 V V V V V Eigenvalues -- 0.86054 0.86863 0.87671 0.88517 0.89630 1 1 Al 1S 0.00001 -0.00696 0.00121 -0.00404 0.00002 2 2S 0.00002 0.09427 -0.02490 0.15361 0.00000 3 2PX -0.00003 0.01918 0.01648 -0.00253 -0.00013 4 2PY -0.00003 0.03043 0.01188 0.02487 -0.00002 5 2PZ 0.00179 0.00001 0.00000 0.00000 -0.00191 6 3S 0.00073 0.23490 -0.03700 0.67159 0.00074 7 3PX 0.00016 -0.30159 -0.10031 -0.24167 0.00072 8 3PY 0.00033 -0.14766 -0.10487 -0.04726 0.00029 9 3PZ 0.10368 -0.00009 0.00008 -0.00002 -0.30191 10 4S -0.00210 -0.64973 0.34146 -0.85833 0.00089 11 4PX 0.00085 0.17341 -0.17970 0.14211 0.00052 12 4PY -0.00012 0.16510 0.13329 -0.38591 0.00013 13 4PZ 0.07609 -0.00018 0.00004 -0.00006 -0.46005 14 5XX 0.00010 -0.24246 -0.02893 -0.26377 0.00073 15 5YY 0.00001 0.01954 -0.11406 0.05367 -0.00024 16 5ZZ -0.00035 -0.09702 0.07296 -0.29936 -0.00012 17 5XY 0.00020 -0.00646 -0.08260 0.09269 0.00033 18 5XZ 0.13845 -0.00010 0.00000 0.00001 -0.18563 19 5YZ 0.02406 -0.00014 0.00010 -0.00013 0.00256 20 2 Al 1S -0.00001 -0.00696 -0.00120 -0.00404 0.00001 21 2S 0.00018 0.09431 0.02485 0.15366 0.00004 22 2PX -0.00002 -0.01918 0.01647 0.00254 0.00007 23 2PY -0.00005 -0.03044 0.01192 -0.02488 -0.00003 24 2PZ 0.00181 -0.00003 0.00001 -0.00002 0.00188 25 3S 0.00054 0.23481 0.03686 0.67166 0.00046 26 3PX 0.00046 0.30163 -0.10035 0.24170 -0.00031 27 3PY 0.00021 0.14775 -0.10511 0.04736 0.00006 28 3PZ 0.10343 0.00011 -0.00009 0.00005 0.30205 29 4S 0.00158 -0.64986 -0.34116 -0.85684 0.00097 30 4PX 0.00076 -0.17339 -0.17940 -0.14147 -0.00016 31 4PY -0.00027 -0.16483 0.13328 0.38586 -0.00001 32 4PZ 0.07567 0.00015 -0.00007 0.00027 0.46033 33 5XX -0.00027 -0.24243 0.02888 -0.26375 0.00040 34 5YY -0.00002 0.01964 0.11417 0.05370 -0.00024 35 5ZZ -0.00003 -0.09708 -0.07289 -0.29933 0.00013 36 5XY 0.00000 -0.00650 0.08249 0.09269 0.00023 37 5XZ -0.13809 -0.00018 0.00011 -0.00031 -0.18594 38 5YZ -0.02384 -0.00016 0.00009 -0.00009 0.00265 39 3 Cl 1S -0.00588 0.01252 0.00000 0.01887 0.00000 40 2S -0.01983 -0.01533 0.00001 -0.01097 0.00001 41 2PX 0.00006 0.00002 0.02174 0.00000 -0.04835 42 2PY -0.00003 -0.00001 -0.01298 0.00001 0.04386 43 2PZ 0.00777 -0.05973 0.00002 -0.09870 0.00004 44 3S -0.19793 0.28348 -0.00004 0.45737 -0.00006 45 3PX -0.00026 -0.00008 -0.10815 -0.00001 0.25442 46 3PY 0.00017 0.00005 0.06315 -0.00004 -0.21173 47 3PZ -0.06200 0.29166 -0.00009 0.49173 -0.00020 48 4S 0.46986 0.05651 -0.00015 0.06306 -0.00042 49 4PX 0.00079 -0.00010 0.12341 -0.00002 -0.72070 50 4PY -0.00045 -0.00028 -0.01956 -0.00026 0.40802 51 4PZ 0.17272 -0.36033 0.00015 -0.65490 0.00003 52 5XX 0.09461 0.01846 -0.00005 0.07230 0.00014 53 5YY -0.24058 0.00222 0.00001 0.04438 -0.00007 54 5ZZ 0.08444 -0.00549 0.00005 -0.06695 -0.00009 55 5XY -0.01669 0.09413 -0.00010 0.09496 0.00030 56 5XZ 0.00015 -0.00007 0.09797 -0.00009 -0.18000 57 5YZ 0.00011 -0.00025 0.03474 -0.00022 0.03763 58 4 Cl 1S 0.00590 0.01252 -0.00001 0.01887 0.00001 59 2S 0.01984 -0.01534 0.00001 -0.01095 0.00004 60 2PX 0.00002 0.00001 0.02175 0.00002 0.04836 61 2PY -0.00003 0.00000 -0.01298 -0.00002 -0.04387 62 2PZ 0.00785 0.05973 -0.00003 0.09870 -0.00003 63 3S 0.19849 0.28349 -0.00017 0.45763 0.00036 64 3PX -0.00007 -0.00008 -0.10818 -0.00012 -0.25442 65 3PY 0.00014 0.00003 0.06314 0.00009 0.21179 66 3PZ -0.06242 -0.29166 0.00013 -0.49180 0.00013 67 4S -0.47073 0.05662 -0.00004 0.06287 -0.00106 68 4PX 0.00012 0.00022 0.12321 0.00034 0.72072 69 4PY -0.00058 0.00005 -0.01966 -0.00013 -0.40833 70 4PZ 0.17356 0.36022 -0.00005 0.65464 -0.00017 71 5XX -0.09455 0.01845 0.00000 0.07217 -0.00009 72 5YY 0.24070 0.00209 0.00001 0.04436 0.00006 73 5ZZ -0.08453 -0.00535 -0.00003 -0.06670 0.00012 74 5XY 0.01676 0.09420 -0.00011 0.09505 0.00032 75 5XZ 0.00016 -0.00015 -0.09782 -0.00015 -0.17994 76 5YZ 0.00029 -0.00023 -0.03455 -0.00014 0.03763 77 5 Cl 1S -0.00001 -0.01341 0.00101 -0.01267 0.00002 78 2S -0.00001 0.00301 -0.00276 0.00855 0.00000 79 2PX 0.00000 -0.03079 -0.00056 -0.04437 -0.00001 80 2PY -0.00001 0.03264 -0.01204 0.04919 -0.00005 81 2PZ -0.01277 0.00001 0.00000 -0.00001 0.00344 82 3S -0.00015 -0.32375 0.01842 -0.29287 0.00037 83 3PX 0.00002 0.13005 0.00106 0.18744 0.00003 84 3PY 0.00002 -0.14333 0.04950 -0.21308 0.00021 85 3PZ 0.05070 -0.00004 0.00001 0.00003 -0.01628 86 4S 0.00045 0.62338 -0.00279 0.41800 -0.00068 87 4PX -0.00012 -0.19792 0.01406 -0.28326 -0.00010 88 4PY 0.00008 0.26320 -0.06355 0.32709 -0.00041 89 4PZ -0.06936 0.00006 -0.00002 -0.00004 0.06736 90 5XX -0.00015 -0.46519 0.62159 0.35350 0.00032 91 5YY -0.00009 -0.02089 -0.05889 0.03608 -0.00017 92 5ZZ 0.00020 0.43031 -0.56378 -0.43066 -0.00008 93 5XY 0.00032 -0.23692 -0.01816 -0.14117 -0.00026 94 5XZ 0.64599 0.00005 0.00007 -0.00010 0.63839 95 5YZ -0.15474 0.00035 -0.00013 -0.00015 0.08538 96 6 Cl 1S -0.00001 -0.01341 -0.00100 -0.01267 0.00001 97 2S 0.00001 0.00302 0.00276 0.00855 0.00000 98 2PX 0.00002 0.03079 -0.00059 0.04437 0.00001 99 2PY -0.00003 -0.03266 -0.01203 -0.04921 0.00003 100 2PZ -0.01274 -0.00002 0.00001 -0.00003 -0.00346 101 3S -0.00015 -0.32375 -0.01833 -0.29281 0.00035 102 3PX -0.00007 -0.13004 0.00119 -0.18743 -0.00002 103 3PY 0.00015 0.14344 0.04946 0.21313 -0.00015 104 3PZ 0.05057 0.00009 -0.00003 0.00011 0.01637 105 4S 0.00010 0.62325 0.00264 0.41773 -0.00073 106 4PX 0.00003 0.19789 0.01386 0.28319 0.00004 107 4PY -0.00015 -0.26330 -0.06350 -0.32709 0.00035 108 4PZ -0.06915 -0.00015 0.00005 -0.00019 -0.06752 109 5XX 0.00003 -0.46573 -0.62122 0.35355 0.00008 110 5YY -0.00002 -0.02081 0.05896 0.03611 -0.00019 111 5ZZ -0.00002 0.43077 0.56334 -0.43073 0.00017 112 5XY -0.00016 -0.23691 0.01848 -0.14120 -0.00045 113 5XZ -0.64562 0.00026 -0.00024 0.00019 0.63879 114 5YZ 0.15433 0.00013 -0.00020 0.00026 0.08593 115 7 Br 1S 0.00000 0.00439 -0.00160 0.00650 -0.00001 116 2S 0.00000 -0.02958 0.00832 -0.04432 0.00005 117 3S -0.00001 0.03706 -0.00529 0.05607 -0.00007 118 4S 0.00000 0.06493 -0.02773 0.09759 -0.00010 119 5S 0.00035 -0.67042 -0.01904 -0.87765 0.00183 120 6S -0.00081 1.27970 0.15390 1.70656 -0.00396 121 7PX 0.00000 0.02001 -0.00444 0.02786 -0.00002 122 7PY 0.00000 0.00552 -0.00038 -0.00266 -0.00002 123 7PZ 0.00361 -0.00001 0.00000 0.00000 -0.00433 124 8PX 0.00000 -0.06579 0.01423 -0.09131 0.00006 125 8PY 0.00001 -0.01831 0.00113 0.00840 0.00005 126 8PZ -0.01184 0.00002 0.00000 0.00000 0.01424 127 9PX -0.00005 0.28994 -0.03888 0.38021 -0.00036 128 9PY -0.00005 0.09079 0.00327 -0.01584 -0.00030 129 9PZ 0.04938 -0.00007 0.00000 -0.00001 -0.06159 130 10PX 0.00026 -0.58546 -0.01058 -0.70147 0.00120 131 10PY 0.00017 -0.22324 -0.04783 -0.04187 0.00082 132 10PZ -0.08399 0.00013 0.00000 0.00003 0.13377 133 11XX 0.00005 -0.05681 -0.01099 -0.06089 0.00010 134 11YY -0.00001 -0.00519 0.00377 -0.00858 0.00003 135 11ZZ -0.00002 0.01403 0.01192 -0.00425 -0.00004 136 11XY 0.00003 -0.03389 -0.00604 -0.01670 0.00013 137 11XZ -0.01017 0.00002 0.00000 0.00000 0.00484 138 11YZ -0.00947 0.00001 0.00000 0.00000 0.01425 139 12XX -0.00011 0.02937 0.03194 -0.05520 0.00016 140 12YY 0.00023 -0.26367 -0.05428 -0.34532 0.00065 141 12ZZ 0.00030 -0.37390 -0.10052 -0.37140 0.00103 142 12XY -0.00019 0.19813 0.04127 0.09750 -0.00076 143 12XZ 0.05512 -0.00009 0.00000 -0.00002 -0.03104 144 12YZ 0.04947 -0.00006 0.00001 -0.00001 -0.07674 145 8 Br 1S 0.00000 0.00439 0.00160 0.00650 0.00000 146 2S -0.00003 -0.02960 -0.00830 -0.04434 0.00003 147 3S 0.00004 0.03708 0.00527 0.05609 -0.00004 148 4S 0.00007 0.06497 0.02769 0.09763 -0.00005 149 5S -0.00076 -0.67078 0.01930 -0.87787 0.00090 150 6S 0.00146 1.28040 -0.15427 1.70695 -0.00194 151 7PX -0.00002 -0.02002 -0.00442 -0.02786 0.00001 152 7PY -0.00001 -0.00552 -0.00038 0.00265 0.00001 153 7PZ 0.00361 0.00000 0.00000 0.00000 0.00434 154 8PX 0.00007 0.06583 0.01417 0.09132 -0.00002 155 8PY 0.00002 0.01831 0.00114 -0.00838 -0.00004 156 8PZ -0.01183 0.00000 0.00001 0.00000 -0.01427 157 9PX -0.00031 -0.29008 -0.03865 -0.38026 0.00015 158 9PY -0.00010 -0.09082 0.00325 0.01574 0.00019 159 9PZ 0.04934 0.00000 -0.00002 0.00002 0.06174 160 10PX 0.00059 0.58571 -0.01091 0.70152 -0.00054 161 10PY 0.00025 0.22331 -0.04780 0.04202 -0.00048 162 10PZ -0.08387 0.00000 0.00003 -0.00005 -0.13402 163 11XX -0.00007 -0.05682 0.01102 -0.06089 0.00004 164 11YY -0.00001 -0.00521 -0.00378 -0.00859 0.00002 165 11ZZ 0.00002 0.01403 -0.01193 -0.00426 0.00000 166 11XY -0.00004 -0.03391 0.00604 -0.01670 0.00007 167 11XZ 0.01016 0.00000 0.00000 0.00001 0.00486 168 11YZ 0.00945 0.00001 0.00000 0.00002 0.01427 169 12XX 0.00005 0.02927 -0.03203 -0.05529 0.00016 170 12YY -0.00031 -0.26375 0.05440 -0.34535 0.00031 171 12ZZ -0.00046 -0.37402 0.10064 -0.37144 0.00044 172 12XY 0.00022 0.19822 -0.04126 0.09753 -0.00041 173 12XZ -0.05503 -0.00001 0.00001 -0.00007 -0.03118 174 12YZ -0.04934 -0.00004 0.00002 -0.00009 -0.07686 146 147 148 149 150 V V V V V Eigenvalues -- 0.90572 0.90881 0.95624 0.97061 0.97475 1 1 Al 1S -0.01211 -0.00003 -0.00713 0.01006 -0.00003 2 2S -0.05169 -0.00009 -0.10040 -0.08779 0.00002 3 2PX 0.08467 0.00017 0.12447 0.00342 -0.00001 4 2PY -0.01367 0.00001 0.04455 0.01250 0.00001 5 2PZ -0.00002 0.02126 0.00000 0.00000 0.01524 6 3S -0.69292 -0.00158 -0.67961 0.09643 -0.00146 7 3PX -0.36177 -0.00076 -0.69180 0.03416 0.00026 8 3PY -0.05313 -0.00034 -0.50222 -0.15220 -0.00020 9 3PZ -0.00029 -0.14658 -0.00009 0.00002 -0.12135 10 4S -0.66904 -0.00307 -6.19147 -5.63145 0.01009 11 4PX -0.40164 0.00002 1.61952 2.45586 -0.00398 12 4PY 0.02012 -0.00052 -1.25853 -1.28046 0.00166 13 4PZ -0.00036 -0.26892 -0.00049 -0.00021 -0.16710 14 5XX -0.42383 -0.00071 -0.16711 0.37545 -0.00051 15 5YY 0.19658 0.00037 -0.15776 -0.17866 0.00041 16 5ZZ 0.08858 0.00019 0.10241 -0.35122 0.00093 17 5XY -0.25906 -0.00064 -0.48154 -0.35263 0.00024 18 5XZ 0.00031 -0.36285 0.00005 0.00029 0.15042 19 5YZ -0.00009 0.03742 0.00034 0.00062 0.49623 20 2 Al 1S -0.01210 -0.00003 0.00713 -0.01005 0.00000 21 2S -0.05173 -0.00012 0.10037 0.08789 -0.00037 22 2PX -0.08466 -0.00013 0.12446 0.00345 -0.00009 23 2PY 0.01367 0.00001 0.04457 0.01252 -0.00005 24 2PZ -0.00005 0.02124 0.00001 -0.00003 -0.01524 25 3S -0.69274 -0.00150 0.67921 -0.09552 -0.00184 26 3PX 0.36163 0.00048 -0.69168 0.03423 0.00001 27 3PY 0.05307 0.00020 -0.50223 -0.15237 0.00079 28 3PZ 0.00077 -0.14603 0.00011 0.00000 0.12091 29 4S -0.66724 -0.00007 6.19168 5.63195 -0.01113 30 4PX 0.40239 0.00098 1.61969 2.45599 -0.00425 31 4PY -0.02059 -0.00018 -1.25837 -1.28043 0.00268 32 4PZ 0.00117 -0.26815 -0.00004 -0.00003 0.16717 33 5XX -0.42384 -0.00087 0.16697 -0.37545 0.00031 34 5YY 0.19647 0.00034 0.15791 0.17867 -0.00035 35 5ZZ 0.08855 0.00033 -0.10216 0.35108 0.00018 36 5XY -0.25910 -0.00042 0.48140 0.35270 -0.00099 37 5XZ -0.00095 0.36254 0.00012 0.00012 0.15008 38 5YZ 0.00000 -0.03742 0.00029 0.00062 0.49637 39 3 Cl 1S -0.00933 0.01352 0.00000 0.00000 -0.00002 40 2S -0.01502 0.03238 -0.00001 0.00001 -0.00005 41 2PX -0.00006 -0.00004 0.07118 0.01685 -0.02320 42 2PY 0.00006 0.00004 -0.05384 -0.00316 -0.03253 43 2PZ -0.00082 -0.00477 0.00000 -0.00001 0.00002 44 3S -0.27949 0.42254 -0.00013 0.00008 -0.00066 45 3PX 0.00033 0.00020 -0.40758 -0.12106 0.12487 46 3PY -0.00028 -0.00022 0.25827 0.03835 0.12645 47 3PZ -0.00389 0.08375 -0.00001 0.00002 -0.00016 48 4S 0.72161 -0.66794 0.00024 -0.00058 0.00166 49 4PX -0.00101 -0.00036 1.56165 0.99562 -0.07537 50 4PY 0.00047 0.00033 -0.51750 -0.35249 0.27655 51 4PZ 0.14811 0.07743 0.00007 -0.00052 0.00049 52 5XX -0.05647 -0.25862 0.00003 0.00012 -0.00004 53 5YY 0.00784 0.22584 -0.00007 0.00007 -0.00015 54 5ZZ 0.00472 0.15496 0.00001 -0.00019 0.00003 55 5XY -0.27833 0.04342 0.00000 -0.00001 0.00005 56 5XZ -0.00034 -0.00015 0.27590 0.13551 0.16458 57 5YZ -0.00002 0.00002 -0.06160 0.07051 0.34334 58 4 Cl 1S -0.00929 -0.01356 0.00000 0.00001 -0.00002 59 2S -0.01491 -0.03247 0.00000 0.00002 -0.00006 60 2PX 0.00005 0.00001 0.07127 0.01690 0.02304 61 2PY -0.00005 -0.00001 -0.05382 -0.00305 0.03262 62 2PZ 0.00085 -0.00472 -0.00002 -0.00001 -0.00001 63 3S -0.27812 -0.42373 -0.00001 0.00033 -0.00080 64 3PX -0.00030 -0.00010 -0.40800 -0.12132 -0.12399 65 3PY 0.00028 0.00007 0.25820 0.03787 -0.12696 66 3PZ 0.00355 0.08358 0.00012 0.00000 0.00008 67 4S 0.71949 0.67202 -0.00018 -0.00078 0.00281 68 4PX 0.00113 0.00075 1.56238 0.99541 0.07109 69 4PY -0.00051 -0.00024 -0.51799 -0.35274 -0.27471 70 4PZ -0.14823 0.07676 -0.00015 -0.00018 -0.00111 71 5XX -0.05726 0.25836 -0.00011 -0.00017 -0.00023 72 5YY 0.00861 -0.22586 0.00003 0.00003 -0.00010 73 5ZZ 0.00515 -0.15492 0.00007 0.00022 0.00021 74 5XY -0.27816 -0.04415 -0.00001 -0.00001 0.00015 75 5XZ -0.00027 -0.00018 -0.27585 -0.13500 0.16524 76 5YZ -0.00006 -0.00006 0.06206 -0.06976 0.34345 77 5 Cl 1S -0.00949 -0.00002 0.00177 0.00542 0.00001 78 2S -0.00059 0.00000 -0.01264 -0.00471 0.00001 79 2PX 0.01824 0.00000 0.00479 -0.03739 0.00004 80 2PY 0.02214 0.00005 -0.01714 -0.01632 0.00000 81 2PZ -0.00004 0.02603 0.00000 0.00001 0.01196 82 3S -0.23719 -0.00050 0.01320 0.12402 0.00015 83 3PX -0.07847 0.00000 -0.02013 0.17377 -0.00020 84 3PY -0.10062 -0.00024 0.07006 0.07591 0.00002 85 3PZ 0.00016 -0.11206 -0.00002 -0.00005 -0.06151 86 4S 0.51916 0.00108 0.26010 -0.11026 -0.00057 87 4PX 0.15819 0.00003 0.00619 -0.43225 0.00051 88 4PY 0.24613 0.00058 0.05628 -0.08158 -0.00017 89 4PZ -0.00023 0.20164 0.00004 0.00013 0.15474 90 5XX -0.10629 -0.00016 -0.11509 0.05527 0.00017 91 5YY 0.16772 0.00043 0.01806 -0.22516 0.00036 92 5ZZ -0.10492 -0.00036 0.08230 0.18452 -0.00050 93 5XY 0.39677 0.00044 0.15053 -0.53460 0.00034 94 5XZ 0.00022 0.24066 0.00019 0.00014 -0.04591 95 5YZ -0.00073 0.52283 0.00014 0.00064 0.55388 96 6 Cl 1S -0.00949 -0.00002 -0.00177 -0.00542 0.00001 97 2S -0.00059 0.00000 0.01264 0.00472 -0.00002 98 2PX -0.01827 -0.00002 0.00480 -0.03740 0.00006 99 2PY -0.02213 -0.00004 -0.01714 -0.01634 0.00006 100 2PZ -0.00006 0.02601 -0.00001 -0.00002 -0.01197 101 3S -0.23721 -0.00043 -0.01314 -0.12404 0.00028 102 3PX 0.07857 0.00009 -0.02017 0.17378 -0.00027 103 3PY 0.10060 0.00017 0.07005 0.07598 -0.00025 104 3PZ 0.00025 -0.11196 0.00003 0.00012 0.06154 105 4S 0.51918 0.00091 -0.26025 0.11016 -0.00014 106 4PX -0.15836 -0.00020 0.00624 -0.43228 0.00070 107 4PY -0.24608 -0.00042 0.05631 -0.08163 0.00023 108 4PZ -0.00051 0.20143 -0.00006 -0.00026 -0.15480 109 5XX -0.10603 0.00007 0.11506 -0.05528 0.00022 110 5YY 0.16767 0.00038 -0.01810 0.22513 -0.00050 111 5ZZ -0.10514 -0.00053 -0.08222 -0.18448 0.00030 112 5XY 0.39691 0.00069 -0.15072 0.53454 -0.00078 113 5XZ 0.00110 -0.24007 0.00004 -0.00007 -0.04592 114 5YZ 0.00108 -0.52241 0.00026 0.00087 0.55399 115 7 Br 1S 0.00292 0.00001 0.00496 -0.00250 0.00000 116 2S -0.02232 -0.00006 -0.03748 0.01633 -0.00001 117 3S 0.03374 0.00008 0.05575 -0.01886 0.00001 118 4S 0.03756 0.00010 0.06551 -0.04031 0.00002 119 5S -0.99609 -0.00230 -1.58744 0.16070 -0.00030 120 6S 2.23592 0.00512 3.64743 -0.15290 0.00049 121 7PX 0.00215 0.00002 0.01496 0.00139 -0.00001 122 7PY 0.01176 0.00001 -0.00230 -0.01356 0.00001 123 7PZ 0.00001 -0.00865 0.00000 0.00000 -0.00248 124 8PX -0.00810 -0.00006 -0.05063 -0.00466 0.00003 125 8PY -0.03918 -0.00005 0.00676 0.04468 -0.00004 126 8PZ -0.00002 0.02845 0.00001 0.00000 0.00790 127 9PX 0.11054 0.00040 0.32023 0.02728 -0.00007 128 9PY 0.20502 0.00028 0.02673 -0.19563 0.00021 129 9PZ 0.00008 -0.12293 -0.00006 0.00002 -0.02071 130 10PX -0.56533 -0.00153 -1.22970 -0.18956 0.00013 131 10PY -0.55124 -0.00092 -0.33430 0.36928 -0.00045 132 10PZ -0.00008 0.22529 0.00014 -0.00007 0.01634 133 11XX -0.04391 -0.00013 -0.10377 -0.01174 -0.00001 134 11YY -0.02055 -0.00002 0.00115 0.03768 -0.00003 135 11ZZ 0.01915 0.00004 0.02801 -0.00130 0.00002 136 11XY -0.07982 -0.00015 -0.06877 0.02035 -0.00004 137 11XZ -0.00003 0.02692 0.00000 -0.00003 -0.01743 138 11YZ -0.00001 0.02223 0.00000 -0.00001 -0.00465 139 12XX -0.15292 -0.00021 -0.05373 0.14893 -0.00007 140 12YY -0.33046 -0.00090 -0.70719 -0.13718 0.00002 141 12ZZ -0.56489 -0.00126 -0.87299 0.07687 -0.00027 142 12XY 0.46759 0.00090 0.43310 -0.10746 0.00022 143 12XZ 0.00013 -0.14672 0.00000 0.00018 0.09114 144 12YZ 0.00003 -0.11681 -0.00003 0.00007 0.02502 145 8 Br 1S 0.00292 0.00001 -0.00496 0.00250 0.00000 146 2S -0.02232 -0.00005 0.03749 -0.01633 0.00001 147 3S 0.03373 0.00007 -0.05577 0.01885 0.00000 148 4S 0.03756 0.00008 -0.06556 0.04034 -0.00004 149 5S -0.99585 -0.00180 1.58758 -0.16026 -0.00096 150 6S 2.23532 0.00394 -3.64760 0.15171 0.00262 151 7PX -0.00213 -0.00001 0.01497 0.00140 0.00000 152 7PY -0.01177 -0.00002 -0.00229 -0.01356 0.00002 153 7PZ 0.00002 -0.00864 0.00001 0.00000 0.00249 154 8PX 0.00806 0.00003 -0.05065 -0.00466 0.00002 155 8PY 0.03921 0.00006 0.00674 0.04468 -0.00007 156 8PZ -0.00006 0.02842 -0.00002 -0.00001 -0.00792 157 9PX -0.11038 -0.00025 0.32032 0.02736 -0.00019 158 9PY -0.20513 -0.00032 0.02683 -0.19562 0.00026 159 9PZ 0.00025 -0.12282 0.00009 0.00004 0.02078 160 10PX 0.56491 0.00106 -1.22971 -0.18994 0.00117 161 10PY 0.55145 0.00090 -0.33456 0.36912 -0.00025 162 10PZ -0.00044 0.22505 -0.00025 -0.00004 -0.01644 163 11XX -0.04385 -0.00008 0.10375 0.01178 -0.00009 164 11YY -0.02059 -0.00003 -0.00113 -0.03770 0.00006 165 11ZZ 0.01915 0.00003 -0.02799 0.00129 0.00003 166 11XY -0.07982 -0.00013 0.06879 -0.02031 -0.00003 167 11XZ 0.00003 -0.02690 0.00003 -0.00001 -0.01741 168 11YZ 0.00005 -0.02221 0.00001 -0.00001 -0.00465 169 12XX -0.15311 -0.00025 0.05391 -0.14892 0.00017 170 12YY -0.33010 -0.00063 0.70709 0.13750 -0.00075 171 12ZZ -0.56475 -0.00098 0.87297 -0.07657 -0.00060 172 12XY 0.46757 0.00077 -0.43320 0.10722 0.00021 173 12XZ -0.00018 0.14662 -0.00018 0.00004 0.09107 174 12YZ -0.00024 0.11669 -0.00008 0.00008 0.02502 151 152 153 154 155 V V V V V Eigenvalues -- 1.00137 1.04460 1.08544 1.12933 1.13056 1 1 Al 1S -0.02494 -0.00001 -0.00299 -0.01360 0.00014 2 2S -0.29464 0.00000 -0.01316 -0.03758 0.00031 3 2PX 0.05948 -0.00003 0.05154 -0.01548 0.00017 4 2PY 0.04610 -0.00006 0.08257 -0.10800 0.00116 5 2PZ -0.00002 -0.02776 -0.00001 -0.00001 -0.00254 6 3S -2.58331 -0.00036 -0.19365 -0.82308 0.00801 7 3PX 0.25075 0.00021 -0.28242 0.37642 -0.00387 8 3PY -0.72270 0.00052 -0.61266 0.73607 -0.00806 9 3PZ 0.00026 -0.83461 -0.00067 0.00058 0.04102 10 4S -0.70353 0.00195 -0.08587 -3.29010 0.03634 11 4PX 0.27440 -0.00072 -0.38804 1.13571 -0.01239 12 4PY -0.70754 0.00047 -0.76643 -0.11064 0.00138 13 4PZ 0.00029 0.30032 0.00017 -0.00009 0.00459 14 5XX 0.00315 -0.00024 0.35331 -0.00251 0.00046 15 5YY 0.02764 0.00022 -0.32473 -0.02775 0.00012 16 5ZZ 0.71754 0.00017 -0.02939 0.14326 -0.00145 17 5XY -0.47586 -0.00017 0.28800 -0.16059 0.00195 18 5XZ 0.00010 0.11698 0.00014 -0.00312 -0.27975 19 5YZ -0.00040 -0.03274 0.00001 -0.00604 -0.55411 20 2 Al 1S -0.02495 0.00000 -0.00301 0.01360 -0.00016 21 2S -0.29466 -0.00007 -0.01317 0.03748 -0.00051 22 2PX -0.05951 0.00001 -0.05150 -0.01555 0.00019 23 2PY -0.04608 0.00003 -0.08246 -0.10810 0.00126 24 2PZ 0.00000 -0.02776 -0.00002 -0.00003 -0.00253 25 3S -2.58366 -0.00036 -0.19457 0.82277 -0.01021 26 3PX -0.25071 -0.00024 0.28194 0.37677 -0.00462 27 3PY 0.72252 -0.00006 0.61187 0.73693 -0.00850 28 3PZ 0.00013 -0.83470 -0.00046 0.00062 0.04081 29 4S -0.70370 -0.00202 -0.08823 3.29011 -0.03684 30 4PX -0.27414 -0.00088 0.38719 1.13618 -0.01297 31 4PY 0.70754 0.00039 0.76642 -0.10962 0.00101 32 4PZ -0.00015 0.30030 0.00032 -0.00017 0.00444 33 5XX 0.00313 -0.00010 0.35344 0.00273 0.00025 34 5YY 0.02762 0.00016 -0.32455 0.02751 -0.00041 35 5ZZ 0.71762 0.00008 -0.02936 -0.14327 0.00180 36 5XY -0.47602 -0.00030 0.28804 0.16085 -0.00181 37 5XZ -0.00018 -0.11708 -0.00004 0.00320 0.27971 38 5YZ -0.00043 0.03257 0.00008 0.00625 0.55417 39 3 Cl 1S -0.03760 0.02183 -0.00059 -0.00002 -0.00102 40 2S -0.07976 0.05594 -0.00533 -0.00003 -0.00213 41 2PX 0.00001 0.00000 -0.00002 0.02627 -0.00028 42 2PY 0.00001 0.00000 0.00000 0.00422 -0.00007 43 2PZ 0.02664 -0.02599 -0.00456 0.00000 -0.00096 44 3S -1.19002 0.72750 -0.03080 -0.00069 -0.03395 45 3PX -0.00008 0.00003 0.00008 -0.14425 0.00153 46 3PY 0.00001 -0.00001 -0.00004 0.02193 -0.00015 47 3PZ -0.21840 0.14792 0.02265 -0.00004 0.00245 48 4S 3.49105 -2.74701 0.24926 0.00196 0.10740 49 4PX 0.00014 -0.00032 -0.00018 0.47898 -0.00510 50 4PY -0.00044 0.00018 0.00058 -0.90489 0.01010 51 4PZ 1.21897 -1.84831 0.05033 0.00077 0.03511 52 5XX -0.11696 0.16291 0.48386 -0.00492 -0.45352 53 5YY -0.17552 0.50152 -0.46555 0.00488 0.45166 54 5ZZ 0.09781 -0.58960 -0.02006 0.00001 0.00073 55 5XY 0.14015 0.32169 0.31814 -0.00425 -0.39548 56 5XZ -0.00005 -0.00003 0.00012 -0.01145 0.00021 57 5YZ -0.00024 -0.00001 0.00021 -0.46608 0.00544 58 4 Cl 1S -0.03759 -0.02184 -0.00062 0.00001 0.00100 59 2S -0.07972 -0.05596 -0.00540 0.00003 0.00208 60 2PX -0.00005 0.00000 -0.00001 0.02626 -0.00030 61 2PY -0.00003 0.00000 0.00000 0.00426 -0.00005 62 2PZ -0.02663 -0.02601 0.00453 -0.00003 -0.00096 63 3S -1.18964 -0.72788 -0.03179 0.00040 0.03316 64 3PX 0.00028 0.00002 0.00005 -0.14421 0.00165 65 3PY 0.00013 -0.00003 -0.00002 0.02172 -0.00026 66 3PZ 0.21830 0.14804 -0.02251 0.00010 0.00252 67 4S 3.49000 2.74783 0.25293 -0.00155 -0.10481 68 4PX -0.00055 -0.00044 -0.00014 0.47875 -0.00535 69 4PY 0.00022 0.00021 0.00021 -0.90461 0.01025 70 4PZ -1.21859 -1.84867 -0.05276 0.00053 0.03433 71 5XX -0.11710 -0.16350 0.48372 0.00532 0.45356 72 5YY -0.17523 -0.50102 -0.46614 -0.00524 -0.45173 73 5ZZ 0.09774 0.58963 -0.01941 -0.00007 -0.00078 74 5XY 0.14024 -0.32209 0.31774 0.00471 0.39533 75 5XZ -0.00001 0.00006 -0.00008 0.01154 -0.00023 76 5YZ -0.00031 -0.00004 -0.00012 0.46613 -0.00541 77 5 Cl 1S 0.01150 0.00000 0.01231 -0.01803 0.00019 78 2S -0.00662 0.00000 -0.00087 -0.02509 0.00027 79 2PX -0.00911 0.00001 0.01099 -0.01687 0.00018 80 2PY -0.03710 0.00001 -0.01749 0.01309 -0.00012 81 2PZ 0.00000 -0.02147 0.00000 -0.00004 -0.00246 82 3S 0.27502 -0.00011 0.31339 -0.52600 0.00555 83 3PX 0.04575 -0.00003 -0.06081 0.08756 -0.00095 84 3PY 0.16622 -0.00006 0.07867 -0.09433 0.00094 85 3PZ 0.00003 0.09762 -0.00001 0.00034 0.02621 86 4S -0.46127 0.00017 -0.72058 1.38823 -0.01479 87 4PX -0.13983 0.00006 0.20285 -0.31396 0.00339 88 4PY -0.24083 0.00013 -0.20075 0.65856 -0.00693 89 4PZ -0.00014 -0.17980 0.00003 -0.00147 -0.11354 90 5XX 0.16925 -0.00003 -0.07507 -0.22520 0.00229 91 5YY -0.10967 0.00009 0.10670 0.43550 -0.00462 92 5ZZ -0.03106 -0.00007 0.00354 -0.30296 0.00332 93 5XY -0.22915 -0.00005 0.26989 -0.26176 0.00287 94 5XZ 0.00013 0.13226 0.00002 0.00093 0.07452 95 5YZ -0.00063 -0.08349 -0.00004 -0.00358 -0.29929 96 6 Cl 1S 0.01150 0.00000 0.01229 0.01804 -0.00021 97 2S -0.00662 0.00000 -0.00089 0.02510 -0.00029 98 2PX 0.00909 0.00001 -0.01097 -0.01687 0.00019 99 2PY 0.03709 0.00000 0.01745 0.01310 -0.00014 100 2PZ 0.00001 -0.02147 -0.00001 -0.00002 -0.00245 101 3S 0.27494 -0.00002 0.31282 0.52639 -0.00606 102 3PX -0.04567 -0.00006 0.06073 0.08760 -0.00100 103 3PY -0.16618 0.00000 -0.07849 -0.09440 0.00106 104 3PZ -0.00006 0.09761 0.00005 0.00026 0.02618 105 4S -0.46107 0.00010 -0.71924 -1.38921 0.01603 106 4PX 0.13965 0.00019 -0.20260 -0.31415 0.00363 107 4PY 0.24069 -0.00002 0.20003 0.65885 -0.00760 108 4PZ 0.00013 -0.17979 -0.00009 -0.00115 -0.11349 109 5XX 0.16912 0.00006 -0.07533 0.22521 -0.00265 110 5YY -0.10950 -0.00013 0.10718 -0.43554 0.00504 111 5ZZ -0.03112 0.00007 0.00324 0.30304 -0.00346 112 5XY -0.22900 -0.00022 0.26970 0.26204 -0.00305 113 5XZ -0.00001 -0.13230 -0.00003 -0.00080 -0.07454 114 5YZ -0.00028 0.08345 0.00009 0.00326 0.29929 115 7 Br 1S -0.00220 0.00000 0.00517 -0.00215 0.00002 116 2S 0.00905 0.00002 -0.03710 0.01229 -0.00013 117 3S 0.00199 -0.00002 0.05015 -0.01049 0.00011 118 4S -0.04818 -0.00003 0.07921 -0.03772 0.00041 119 5S -0.72323 0.00022 -0.69090 0.05607 -0.00034 120 6S 1.93534 -0.00045 1.46465 0.02344 -0.00084 121 7PX -0.00498 -0.00001 0.01272 -0.00234 0.00003 122 7PY -0.00748 0.00000 0.00293 0.00047 -0.00001 123 7PZ 0.00000 0.00882 0.00000 -0.00002 -0.00156 124 8PX 0.01483 0.00003 -0.04202 0.00766 -0.00009 125 8PY 0.02403 0.00000 -0.00946 -0.00166 0.00003 126 8PZ -0.00001 -0.02896 -0.00001 0.00007 0.00548 127 9PX 0.04539 -0.00013 0.18176 -0.02605 0.00026 128 9PY -0.06220 0.00000 0.02662 0.01485 -0.00022 129 9PZ 0.00003 0.11951 0.00005 -0.00047 -0.04051 130 10PX -0.64253 0.00024 -0.42464 0.00578 0.00010 131 10PY -0.07135 -0.00004 -0.03609 -0.06013 0.00082 132 10PZ -0.00003 -0.19257 -0.00008 0.00119 0.10345 133 11XX -0.06462 0.00002 -0.05105 0.01280 -0.00013 134 11YY 0.02406 -0.00001 -0.00120 0.00083 -0.00001 135 11ZZ 0.03525 0.00001 -0.01588 -0.00158 0.00001 136 11XY -0.03913 0.00000 0.00416 -0.00932 0.00013 137 11XZ 0.00002 -0.02093 -0.00001 0.00034 0.03024 138 11YZ 0.00000 0.00412 0.00000 0.00012 0.01057 139 12XX 0.07438 -0.00001 -0.04237 -0.07255 0.00080 140 12YY -0.49876 0.00015 -0.31835 -0.00473 0.00015 141 12ZZ -0.57123 0.00005 -0.23068 0.00236 0.00014 142 12XY 0.25886 0.00003 -0.02935 0.05764 -0.00078 143 12XZ -0.00009 0.10828 0.00005 -0.00183 -0.16353 144 12YZ 0.00002 -0.02214 -0.00001 -0.00065 -0.05856 145 8 Br 1S -0.00220 0.00000 0.00516 0.00216 -0.00002 146 2S 0.00904 0.00002 -0.03710 -0.01232 0.00013 147 3S 0.00200 -0.00002 0.05014 0.01054 -0.00012 148 4S -0.04818 -0.00005 0.07920 0.03778 -0.00040 149 5S -0.72365 0.00008 -0.69069 -0.05685 0.00092 150 6S 1.93639 0.00002 1.46423 -0.02170 -0.00052 151 7PX 0.00498 0.00001 -0.01271 -0.00235 0.00002 152 7PY 0.00748 0.00001 -0.00294 0.00047 0.00000 153 7PZ 0.00000 0.00882 0.00000 -0.00002 -0.00156 154 8PX -0.01483 -0.00002 0.04200 0.00769 -0.00008 155 8PY -0.02403 -0.00002 0.00948 -0.00166 0.00002 156 8PZ 0.00001 -0.02897 -0.00001 0.00007 0.00548 157 9PX -0.04540 0.00006 -0.18169 -0.02620 0.00030 158 9PY 0.06219 0.00007 -0.02670 0.01486 -0.00013 159 9PZ -0.00003 0.11954 0.00003 -0.00051 -0.04054 160 10PX 0.64270 0.00003 0.42444 0.00628 -0.00023 161 10PY 0.07160 -0.00009 0.03625 -0.06011 0.00054 162 10PZ 0.00013 -0.19261 -0.00005 0.00125 0.10353 163 11XX -0.06462 0.00001 -0.05102 -0.01286 0.00016 164 11YY 0.02404 0.00001 -0.00120 -0.00082 0.00001 165 11ZZ 0.03526 0.00001 -0.01590 0.00157 -0.00003 166 11XY -0.03917 -0.00001 0.00415 0.00932 -0.00008 167 11XZ -0.00001 0.02094 0.00001 -0.00035 -0.03024 168 11YZ 0.00000 -0.00412 0.00000 -0.00012 -0.01058 169 12XX 0.07420 0.00003 -0.04244 0.07252 -0.00079 170 12YY -0.49883 -0.00004 -0.31824 0.00436 0.00009 171 12ZZ -0.57146 -0.00003 -0.23051 -0.00266 0.00028 172 12XY 0.25911 0.00004 -0.02928 -0.05762 0.00051 173 12XZ 0.00009 -0.10833 -0.00004 0.00187 0.16356 174 12YZ 0.00002 0.02210 0.00000 0.00066 0.05861 156 157 158 159 160 V V V V V Eigenvalues -- 1.18492 1.24405 1.31583 1.46385 1.57334 1 1 Al 1S -0.02823 0.00869 -0.01311 0.00000 -0.00001 2 2S -0.15099 0.00766 -0.26453 -0.00003 0.00003 3 2PX -0.01388 -0.00422 -0.00697 0.00001 -0.00001 4 2PY -0.08332 0.00734 0.01106 0.00000 0.00000 5 2PZ 0.00003 -0.00002 0.00000 -0.16526 0.14876 6 3S -2.18571 0.50836 -1.76323 -0.00014 -0.00016 7 3PX 0.63367 -0.05350 0.75378 0.00002 0.00002 8 3PY 0.30753 0.13052 -0.43771 -0.00018 0.00018 9 3PZ -0.00012 0.00019 0.00009 2.77171 -2.69819 10 4S -0.56114 0.97672 -0.44416 -0.00003 -0.00049 11 4PX 0.41887 -0.22309 0.49799 0.00005 0.00021 12 4PY 0.32110 0.21839 -0.34932 -0.00014 0.00013 13 4PZ -0.00011 0.00013 0.00001 -0.05117 -0.41580 14 5XX 0.59092 -0.54585 0.40796 -0.00003 0.00014 15 5YY -0.20201 0.45487 0.25155 -0.00012 0.00017 16 5ZZ 0.41908 -0.10475 -0.72656 0.00029 -0.00019 17 5XY 0.16677 -0.41269 -0.19324 0.00010 -0.00011 18 5XZ 0.00018 -0.00010 -0.00007 -1.41790 1.33026 19 5YZ 0.00046 -0.00018 0.00013 0.74118 -0.69391 20 2 Al 1S -0.02823 -0.00866 -0.01312 0.00000 -0.00001 21 2S -0.15097 -0.00762 -0.26454 0.00002 0.00003 22 2PX 0.01387 -0.00421 0.00697 0.00001 0.00000 23 2PY 0.08331 0.00732 -0.01105 0.00000 0.00001 24 2PZ 0.00001 0.00000 0.00000 -0.16525 -0.14876 25 3S -2.18589 -0.50684 -1.76363 0.00001 -0.00022 26 3PX -0.63365 -0.05323 -0.75396 -0.00001 0.00015 27 3PY -0.30745 0.13045 0.43762 -0.00014 -0.00022 28 3PZ 0.00005 -0.00003 -0.00001 2.77170 2.69829 29 4S -0.56037 -0.97600 -0.44395 0.00001 0.00031 30 4PX -0.41845 -0.22257 -0.49773 0.00009 0.00021 31 4PY -0.32109 0.21814 0.34931 0.00007 -0.00013 32 4PZ -0.00009 0.00000 0.00000 -0.05122 0.41580 33 5XX 0.59107 0.54506 0.40838 0.00005 0.00021 34 5YY -0.20209 -0.45487 0.25121 0.00013 0.00020 35 5ZZ 0.41919 0.10488 -0.72650 -0.00027 -0.00008 36 5XY 0.16698 0.41297 -0.19288 -0.00009 -0.00015 37 5XZ -0.00005 0.00010 -0.00010 1.41804 1.33053 38 5YZ -0.00035 0.00005 0.00007 -0.74087 -0.69353 39 3 Cl 1S -0.01681 0.00001 -0.01388 0.02972 0.00000 40 2S -0.05272 0.00002 -0.04850 0.00297 -0.00002 41 2PX 0.00000 0.00879 0.00001 0.00001 0.16698 42 2PY -0.00003 0.02111 0.00001 0.00003 -0.08427 43 2PZ -0.01312 0.00000 -0.00160 -0.16476 -0.00003 44 3S -0.60086 0.00027 -0.52267 0.75339 -0.00004 45 3PX 0.00000 -0.03083 -0.00002 -0.00004 -1.05026 46 3PY 0.00013 -0.10113 -0.00007 -0.00022 0.53313 47 3PZ 0.01334 0.00000 0.00833 1.08867 0.00015 48 4S 2.30021 -0.00115 3.07753 3.91931 0.00019 49 4PX -0.00003 -0.49819 -0.00007 -0.00004 -1.50088 50 4PY -0.00045 -0.32237 -0.00043 -0.00029 0.77131 51 4PZ 0.71245 -0.00020 0.76219 1.28951 0.00022 52 5XX -0.01096 -0.00036 0.55049 0.45576 -0.00002 53 5YY -0.08426 0.00028 -0.08868 -0.15082 -0.00017 54 5ZZ 0.04547 0.00010 -0.45707 0.00375 0.00017 55 5XY -0.09171 0.00010 -0.51401 -0.47419 0.00011 56 5XZ -0.00005 -0.38426 -0.00025 -0.00020 -0.75675 57 5YZ -0.00013 -0.52024 -0.00016 -0.00006 0.38581 58 4 Cl 1S -0.01680 0.00001 -0.01388 -0.02972 0.00000 59 2S -0.05272 0.00003 -0.04850 -0.00296 -0.00003 60 2PX 0.00000 0.00879 0.00001 -0.00001 -0.16699 61 2PY 0.00001 0.02109 0.00001 -0.00002 0.08428 62 2PZ 0.01312 -0.00001 0.00160 -0.16477 0.00002 63 3S -0.60069 0.00023 -0.52264 -0.75337 -0.00014 64 3PX 0.00000 -0.03084 -0.00006 0.00009 1.05028 65 3PY -0.00006 -0.10105 -0.00005 0.00007 -0.53314 66 3PZ -0.01335 0.00001 -0.00834 1.08867 -0.00009 67 4S 2.29970 -0.00117 3.07737 -3.91919 0.00013 68 4PX -0.00014 -0.49826 -0.00038 0.00011 1.50098 69 4PY -0.00021 -0.32237 -0.00016 0.00011 -0.77145 70 4PZ -0.71198 0.00013 -0.76213 1.28951 -0.00022 71 5XX -0.01140 -0.00009 0.55045 -0.45574 -0.00017 72 5YY -0.08367 -0.00012 -0.08864 0.15083 -0.00004 73 5ZZ 0.04531 0.00023 -0.45707 -0.00378 0.00017 74 5XY -0.09216 0.00032 -0.51403 0.47420 -0.00001 75 5XZ 0.00012 0.38424 0.00007 0.00010 -0.75681 76 5YZ 0.00021 0.52020 0.00026 -0.00019 0.38585 77 5 Cl 1S -0.01238 0.00537 0.00187 0.00000 0.00000 78 2S -0.03613 0.02298 0.00737 -0.00001 0.00000 79 2PX -0.00008 -0.00055 -0.01010 -0.00001 0.00000 80 2PY -0.00713 0.00355 0.00305 0.00000 0.00000 81 2PZ 0.00000 -0.00001 0.00000 0.00003 0.00771 82 3S -0.40888 0.19607 0.06646 0.00001 -0.00005 83 3PX 0.01194 0.00138 0.05597 0.00004 -0.00001 84 3PY -0.02015 0.02302 -0.00094 0.00001 0.00000 85 3PZ -0.00001 0.00003 0.00001 -0.00219 -0.03584 86 4S 1.15921 -0.50123 -0.18996 -0.00008 0.00023 87 4PX -0.17832 0.03095 -0.20556 -0.00006 -0.00003 88 4PY 0.61626 -0.37291 -0.09349 -0.00001 0.00004 89 4PZ -0.00006 -0.00003 0.00005 -0.05766 0.16064 90 5XX -0.33701 0.23786 0.06026 -0.00003 0.00005 91 5YY 0.57768 -0.38354 -0.12787 0.00006 -0.00004 92 5ZZ -0.33639 0.19914 0.08512 -0.00004 0.00000 93 5XY -0.20678 0.02496 -0.12596 0.00003 -0.00005 94 5XZ 0.00002 0.00003 0.00004 0.00944 -0.01732 95 5YZ -0.00008 0.00006 0.00014 -0.02000 0.03587 96 6 Cl 1S -0.01238 -0.00537 0.00187 0.00000 0.00000 97 2S -0.03614 -0.02296 0.00735 0.00000 0.00000 98 2PX 0.00007 -0.00056 0.01009 0.00000 0.00000 99 2PY 0.00713 0.00355 -0.00303 0.00000 0.00000 100 2PZ 0.00000 0.00000 0.00000 0.00003 -0.00771 101 3S -0.40882 -0.19594 0.06641 0.00001 0.00000 102 3PX -0.01190 0.00143 -0.05593 0.00000 0.00002 103 3PY 0.02014 0.02302 0.00090 0.00001 0.00000 104 3PZ -0.00002 0.00000 0.00000 -0.00219 0.03580 105 4S 1.15905 0.50084 -0.18973 -0.00005 0.00001 106 4PX 0.17821 0.03071 0.20547 -0.00001 -0.00006 107 4PY -0.61625 -0.37268 0.09331 0.00003 0.00002 108 4PZ 0.00000 -0.00005 0.00001 -0.05768 -0.16059 109 5XX -0.33708 -0.23776 0.06008 0.00001 0.00000 110 5YY 0.57777 0.38339 -0.12761 -0.00002 -0.00001 111 5ZZ -0.33641 -0.19905 0.08499 0.00001 0.00002 112 5XY -0.20673 -0.02474 -0.12593 0.00001 0.00002 113 5XZ 0.00001 -0.00001 -0.00001 -0.00945 -0.01732 114 5YZ -0.00001 0.00011 -0.00004 0.02006 0.03591 115 7 Br 1S -0.00186 -0.00180 -0.00184 0.00000 0.00000 116 2S 0.01035 0.01088 0.00776 0.00001 -0.00002 117 3S -0.00837 -0.01031 0.00016 0.00000 0.00001 118 4S -0.03205 -0.03302 -0.03711 -0.00004 0.00009 119 5S 0.31520 -0.11438 0.01583 -0.00003 0.00010 120 6S -0.60848 0.28155 0.12192 0.00026 -0.00060 121 7PX 0.00006 -0.00239 0.00326 0.00000 0.00000 122 7PY -0.00222 -0.00001 -0.00376 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00015 -0.00329 124 8PX 0.00023 0.00735 -0.01078 0.00000 0.00000 125 8PY 0.00758 -0.00036 0.01263 0.00000 0.00000 126 8PZ 0.00000 0.00000 0.00000 -0.00047 0.01086 127 9PX -0.03404 0.01090 0.04582 0.00001 -0.00002 128 9PY -0.05282 0.03039 -0.07101 -0.00001 0.00001 129 9PZ 0.00000 0.00001 -0.00001 0.00243 -0.04948 130 10PX 0.16395 -0.11450 -0.11931 -0.00005 0.00007 131 10PY 0.15173 -0.12970 0.20425 0.00001 -0.00001 132 10PZ -0.00002 -0.00002 0.00001 -0.05908 0.16552 133 11XX 0.01407 -0.00615 -0.01258 0.00000 0.00000 134 11YY 0.00147 0.00401 0.01702 0.00000 0.00000 135 11ZZ -0.00670 0.01534 -0.00832 0.00000 -0.00001 136 11XY 0.02229 -0.02581 0.01026 0.00000 0.00000 137 11XZ -0.00001 0.00000 0.00000 -0.00439 0.00872 138 11YZ -0.00001 0.00000 0.00000 -0.00268 0.00211 139 12XX -0.00503 -0.00270 0.00809 -0.00006 0.00016 140 12YY 0.08279 -0.08580 -0.16958 -0.00010 0.00021 141 12ZZ 0.13626 -0.16280 -0.02173 -0.00009 0.00022 142 12XY -0.14000 0.16720 -0.07097 0.00001 0.00000 143 12XZ 0.00008 -0.00003 0.00001 0.03850 -0.06309 144 12YZ 0.00004 -0.00002 0.00001 0.02415 -0.02352 145 8 Br 1S -0.00186 0.00180 -0.00184 0.00000 0.00000 146 2S 0.01034 -0.01088 0.00774 -0.00001 0.00002 147 3S -0.00836 0.01030 0.00017 0.00001 -0.00001 148 4S -0.03202 0.03305 -0.03703 0.00002 -0.00008 149 5S 0.31511 0.11442 0.01589 -0.00005 -0.00007 150 6S -0.60831 -0.28183 0.12155 0.00009 0.00053 151 7PX -0.00006 -0.00239 -0.00326 0.00000 0.00000 152 7PY 0.00222 -0.00002 0.00376 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00015 0.00329 154 8PX -0.00023 0.00733 0.01078 0.00000 0.00000 155 8PY -0.00759 -0.00034 -0.01263 0.00001 0.00000 156 8PZ 0.00000 0.00001 0.00000 -0.00046 -0.01086 157 9PX 0.03403 0.01096 -0.04580 0.00000 0.00000 158 9PY 0.05285 0.03030 0.07103 -0.00002 -0.00001 159 9PZ 0.00001 -0.00002 0.00000 0.00239 0.04952 160 10PX -0.16391 -0.11465 0.11920 0.00001 0.00003 161 10PY -0.15183 -0.12950 -0.20434 0.00003 0.00005 162 10PZ -0.00005 0.00003 -0.00002 -0.05902 -0.16557 163 11XX 0.01406 0.00616 -0.01257 0.00000 0.00000 164 11YY 0.00148 -0.00401 0.01701 0.00000 0.00000 165 11ZZ -0.00670 -0.01533 -0.00834 0.00000 0.00001 166 11XY 0.02231 0.02580 0.01027 0.00000 0.00000 167 11XZ 0.00001 0.00000 0.00000 0.00438 0.00872 168 11YZ 0.00001 0.00000 0.00001 0.00268 0.00211 169 12XX -0.00498 0.00277 0.00817 0.00001 -0.00016 170 12YY 0.08274 0.08595 -0.16943 0.00000 -0.00017 171 12ZZ 0.13624 0.16286 -0.02150 0.00000 -0.00020 172 12XY -0.14010 -0.16712 -0.07108 -0.00001 -0.00001 173 12XZ -0.00007 0.00001 -0.00003 -0.03845 -0.06310 174 12YZ -0.00005 -0.00002 -0.00006 -0.02415 -0.02352 161 162 163 164 165 V V V V V Eigenvalues -- 1.62995 1.68848 1.76923 1.78097 1.94446 1 1 Al 1S -0.00785 0.00168 -0.01724 0.02708 0.10280 2 2S -0.14823 -0.55439 -0.23672 0.50316 -0.29304 3 2PX -0.10097 -0.11723 -0.16546 0.09246 0.04032 4 2PY 0.05757 0.05264 0.08161 -0.04788 -0.01830 5 2PZ -0.00002 0.00000 0.00001 0.00000 0.00001 6 3S -0.71263 -1.66044 -1.55114 3.38779 6.02694 7 3PX 1.68745 2.03251 2.31773 -2.11368 -0.59396 8 3PY -0.74530 -1.08219 -1.28372 0.95611 0.29602 9 3PZ 0.00058 0.00000 0.00009 -0.00016 -0.00018 10 4S -1.67251 -0.73326 -2.48510 -0.67430 -0.28661 11 4PX 1.09040 -0.28807 0.17646 -0.91295 0.17721 12 4PY -0.15939 -0.71778 -0.46606 -0.80267 0.18502 13 4PZ -0.00003 0.00005 -0.00010 -0.00008 -0.00003 14 5XX -0.69808 -0.85399 -0.83965 0.26596 -2.03339 15 5YY 0.03638 -0.33690 0.11860 -0.22876 -2.27612 16 5ZZ -0.56591 -0.80983 -0.72525 0.13798 -2.07964 17 5XY 0.53863 0.51297 0.81561 -0.33406 -0.19656 18 5XZ -0.00025 -0.00004 -0.00007 0.00009 0.00010 19 5YZ 0.00015 0.00002 0.00006 -0.00003 -0.00002 20 2 Al 1S 0.00785 0.00168 0.01724 0.02706 0.10280 21 2S 0.14806 -0.55446 0.23682 0.50317 -0.29302 22 2PX -0.10095 0.11728 -0.16548 -0.09245 -0.04034 23 2PY 0.05754 -0.05263 0.08159 0.04783 0.01830 24 2PZ 0.00001 0.00000 0.00000 0.00000 -0.00001 25 3S 0.71172 -1.66057 1.55153 3.38706 6.02710 26 3PX 1.68690 -2.03339 2.31825 2.11356 0.59424 27 3PY -0.74465 1.08191 -1.28345 -0.95525 -0.29601 28 3PZ -0.00006 0.00000 0.00016 -0.00003 0.00018 29 4S 1.67241 -0.73332 2.48504 -0.67575 -0.28629 30 4PX 1.09028 0.28800 0.17696 0.91254 -0.17708 31 4PY -0.15912 0.71782 -0.46569 0.80325 -0.18511 32 4PZ -0.00008 0.00012 -0.00015 0.00029 -0.00003 33 5XX 0.69804 -0.85468 0.83991 0.26633 -2.03327 34 5YY -0.03647 -0.33656 -0.11875 -0.22887 -2.27619 35 5ZZ 0.56571 -0.81006 0.72538 0.13806 -2.07959 36 5XY -0.53839 0.51292 -0.81553 -0.33369 -0.19662 37 5XZ -0.00002 0.00000 0.00006 0.00000 0.00007 38 5YZ -0.00003 0.00010 -0.00016 -0.00005 -0.00009 39 3 Cl 1S 0.00000 0.01189 0.00000 -0.00630 -0.01283 40 2S 0.00000 -0.03434 0.00002 0.05920 0.09865 41 2PX -0.08212 0.00000 -0.11528 0.00002 0.00001 42 2PY 0.04209 0.00002 0.06177 -0.00003 -0.00002 43 2PZ -0.00004 -0.16233 0.00000 0.11987 0.06138 44 3S 0.00009 0.20141 0.00018 0.01405 -0.13691 45 3PX 0.51928 0.00000 0.74669 -0.00015 -0.00006 46 3PY -0.27094 -0.00012 -0.39312 0.00015 0.00008 47 3PZ 0.00023 0.95800 0.00000 -0.66700 -0.16110 48 4S 0.00139 3.96889 0.00011 -3.77173 -1.18072 49 4PX 0.48925 0.00008 1.05761 -0.00032 -0.00007 50 4PY -0.41684 -0.00020 -0.37373 0.00038 0.00010 51 4PZ 0.00040 1.43137 -0.00004 -1.79069 -0.39393 52 5XX 0.00003 -0.08188 0.00002 0.09961 0.09739 53 5YY 0.00003 -0.29673 0.00011 0.27489 0.25243 54 5ZZ 0.00000 0.52867 -0.00011 -0.45930 -0.13410 55 5XY -0.00019 -0.14969 -0.00014 0.19340 0.12837 56 5XZ 0.41207 -0.00003 0.61375 -0.00010 -0.00001 57 5YZ -0.25159 -0.00006 -0.28681 0.00015 0.00011 58 4 Cl 1S 0.00000 0.01189 0.00000 -0.00630 -0.01283 59 2S -0.00002 -0.03435 -0.00001 0.05919 0.09865 60 2PX -0.08208 0.00003 -0.11528 -0.00001 -0.00003 61 2PY 0.04207 -0.00002 0.06177 0.00000 0.00001 62 2PZ 0.00001 0.16232 -0.00001 -0.11987 -0.06138 63 3S -0.00009 0.20137 -0.00013 0.01406 -0.13690 64 3PX 0.51906 -0.00023 0.74671 0.00008 0.00015 65 3PY -0.27082 0.00014 -0.39312 -0.00002 -0.00007 66 3PZ -0.00004 -0.95797 0.00011 0.66697 0.16108 67 4S 0.00006 3.96888 -0.00086 -3.77133 -1.18071 68 4PX 0.48880 -0.00027 1.05773 0.00012 0.00018 69 4PY -0.41663 0.00003 -0.37369 -0.00018 -0.00005 70 4PZ -0.00013 -1.43153 0.00025 1.79037 0.39400 71 5XX -0.00010 -0.08184 -0.00016 0.09964 0.09737 72 5YY -0.00005 -0.29679 0.00005 0.27485 0.25247 73 5ZZ 0.00012 0.52868 0.00006 -0.45930 -0.13411 74 5XY 0.00003 -0.14966 0.00005 0.19337 0.12834 75 5XZ -0.41191 0.00011 -0.61381 0.00000 -0.00013 76 5YZ 0.25150 -0.00008 0.28680 0.00003 0.00002 77 5 Cl 1S -0.00448 0.00735 -0.00341 -0.00119 0.00120 78 2S 0.01370 0.00091 0.01301 -0.00661 -0.02883 79 2PX -0.01758 0.00303 -0.00004 -0.00055 0.00127 80 2PY 0.01704 -0.00561 0.01791 0.00208 -0.02155 81 2PZ -0.00001 0.00000 -0.00001 0.00000 0.00000 82 3S -0.09480 0.20973 -0.06832 -0.04938 -0.02688 83 3PX 0.08265 -0.01856 -0.00584 0.00105 0.00373 84 3PY -0.07038 0.03010 -0.07299 -0.02395 0.05728 85 3PZ 0.00004 -0.00002 0.00003 -0.00001 -0.00001 86 4S 0.00481 -0.49926 -0.00717 0.06936 0.15997 87 4PX -0.24682 0.03963 0.02272 0.11822 -0.04725 88 4PY -0.06182 -0.19569 -0.06428 0.19956 0.03019 89 4PZ -0.00003 0.00006 0.00003 0.00003 0.00001 90 5XX 0.07660 0.00819 0.05258 -0.03660 -0.09819 91 5YY -0.08282 -0.03891 -0.09213 0.07207 0.12542 92 5ZZ 0.04386 0.01638 0.07766 -0.04689 -0.10377 93 5XY -0.01160 0.02130 0.03729 0.01636 -0.05506 94 5XZ 0.00001 0.00001 -0.00001 -0.00002 0.00000 95 5YZ 0.00004 0.00002 0.00008 -0.00002 -0.00005 96 6 Cl 1S 0.00448 0.00735 0.00341 -0.00119 0.00120 97 2S -0.01370 0.00093 -0.01301 -0.00661 -0.02884 98 2PX -0.01759 -0.00303 -0.00004 0.00055 -0.00127 99 2PY 0.01703 0.00560 0.01791 -0.00208 0.02155 100 2PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 101 3S 0.09484 0.20975 0.06839 -0.04936 -0.02689 102 3PX 0.08266 0.01857 -0.00583 -0.00106 -0.00373 103 3PY -0.07036 -0.03005 -0.07298 0.02398 -0.05729 104 3PZ -0.00002 0.00000 -0.00002 0.00003 -0.00001 105 4S -0.00499 -0.49940 0.00696 0.06924 0.16000 106 4PX -0.24682 -0.03965 0.02262 -0.11822 0.04725 107 4PY -0.06178 0.19576 -0.06426 -0.19961 -0.03021 108 4PZ 0.00001 0.00001 0.00001 -0.00009 0.00000 109 5XX -0.07659 0.00825 -0.05260 -0.03662 -0.09819 110 5YY 0.08280 -0.03899 0.09214 0.07211 0.12543 111 5ZZ -0.04384 0.01644 -0.07765 -0.04691 -0.10378 112 5XY 0.01162 0.02131 -0.03727 0.01638 -0.05507 113 5XZ 0.00000 0.00000 0.00000 0.00000 -0.00001 114 5YZ 0.00002 0.00000 0.00002 0.00003 0.00003 115 7 Br 1S 0.03650 -0.02796 -0.02693 -0.03438 0.00690 116 2S -0.18175 0.14100 0.13240 0.16981 -0.03119 117 3S 0.07890 -0.06551 -0.05086 -0.06591 0.00349 118 4S 0.75871 -0.58507 -0.57678 -0.74308 0.15591 119 5S 0.75234 -0.51816 -0.73749 -1.48117 0.10064 120 6S -4.74466 3.52834 4.00473 6.46583 -0.98741 121 7PX -0.00393 0.00544 0.01447 0.01460 -0.00764 122 7PY -0.00386 0.00251 0.00413 0.00607 -0.00447 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.01338 -0.01793 -0.04771 -0.04887 0.02452 125 8PY 0.01291 -0.00827 -0.01363 -0.02031 0.01446 126 8PZ 0.00000 0.00000 0.00001 0.00001 0.00000 127 9PX -0.08399 0.07728 0.19282 0.24878 -0.04030 128 9PY -0.06933 0.03166 0.05169 0.10558 -0.03175 129 9PZ 0.00000 0.00000 -0.00002 -0.00002 0.00000 130 10PX 0.34326 -0.14432 -0.28751 -0.68770 0.02467 131 10PY 0.27841 0.02820 0.00761 -0.35200 0.02894 132 10PZ -0.00004 -0.00001 0.00004 0.00006 0.00001 133 11XX -0.01090 0.02473 0.01448 0.00074 -0.01129 134 11YY -0.02248 0.02080 0.01376 0.02580 0.00598 135 11ZZ -0.03215 0.01346 0.01059 0.02756 0.00960 136 11XY 0.01325 0.00399 0.00823 -0.01415 -0.00982 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 1.53601 -1.25945 -1.36731 -1.81166 0.44347 140 12YY 1.61346 -1.25006 -1.35311 -1.95418 0.31700 141 12ZZ 1.68607 -1.19201 -1.31290 -1.97930 0.28296 142 12XY -0.10201 -0.04219 -0.08024 0.10249 0.08124 143 12XZ 0.00002 0.00001 0.00000 -0.00001 -0.00001 144 12YZ 0.00001 0.00000 0.00001 -0.00001 -0.00001 145 8 Br 1S -0.03650 -0.02795 0.02692 -0.03439 0.00690 146 2S 0.18176 0.14098 -0.13234 0.16986 -0.03119 147 3S -0.07891 -0.06551 0.05084 -0.06593 0.00349 148 4S -0.75878 -0.58495 0.57654 -0.74329 0.15592 149 5S -0.75236 -0.51807 0.73707 -1.48149 0.10066 150 6S 4.74492 3.52764 -4.00277 6.46747 -0.98747 151 7PX -0.00393 -0.00544 0.01447 -0.01461 0.00764 152 7PY -0.00386 -0.00251 0.00413 -0.00608 0.00447 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.01338 0.01792 -0.04770 0.04888 -0.02452 155 8PY 0.01290 0.00827 -0.01364 0.02033 -0.01447 156 8PZ 0.00000 0.00000 -0.00001 0.00001 0.00000 157 9PX -0.08400 -0.07725 0.19276 -0.24883 0.04032 158 9PY -0.06932 -0.03166 0.05169 -0.10567 0.03175 159 9PZ -0.00002 -0.00001 0.00003 -0.00003 0.00001 160 10PX 0.34325 0.14425 -0.28736 0.68779 -0.02468 161 10PY 0.27838 -0.02820 0.00765 0.35215 -0.02893 162 10PZ 0.00010 0.00001 -0.00003 0.00009 -0.00002 163 11XX 0.01090 0.02473 -0.01448 0.00075 -0.01129 164 11YY 0.02248 0.02080 -0.01376 0.02580 0.00597 165 11ZZ 0.03215 0.01346 -0.01058 0.02756 0.00960 166 11XY -0.01324 0.00399 -0.00823 -0.01416 -0.00983 167 11XZ -0.00001 0.00000 0.00000 0.00000 0.00000 168 11YZ -0.00001 0.00000 0.00000 0.00000 0.00000 169 12XX -1.53615 -1.25921 1.36671 -1.81221 0.44347 170 12YY -1.61354 -1.24980 1.35255 -1.95469 0.31706 171 12ZZ -1.68618 -1.19177 1.31229 -1.97978 0.28299 172 12XY 0.10201 -0.04219 0.08028 0.10248 0.08128 173 12XZ 0.00005 -0.00001 0.00002 0.00002 0.00002 174 12YZ 0.00003 -0.00002 0.00002 0.00002 0.00001 166 167 168 169 170 V V V V V Eigenvalues -- 1.98429 4.14305 4.27360 4.27368 4.31971 1 1 Al 1S -0.10099 0.00000 0.00419 0.00561 -0.00818 2 2S 0.34702 0.00001 0.00536 -0.01973 0.07163 3 2PX 0.03194 0.00000 0.01047 0.02202 -0.01781 4 2PY -0.01625 0.00000 -0.00239 -0.01206 0.00531 5 2PZ -0.00001 0.02451 0.00000 0.00000 0.00001 6 3S -5.99397 0.00013 0.29663 0.46091 -0.45102 7 3PX -0.13308 -0.00008 -0.16721 -0.34937 0.23732 8 3PY 0.08796 0.00009 -0.00458 0.23209 -0.05036 9 3PZ 0.00012 -0.52803 0.00003 -0.00008 -0.00003 10 4S 0.27526 -0.00022 0.51622 -0.53438 0.11962 11 4PX 0.15617 0.00014 -0.06771 0.23592 -0.02271 12 4PY -0.07440 -0.00007 -0.08184 0.24205 0.37893 13 4PZ -0.00002 0.13187 0.00006 -0.00010 -0.00005 14 5XX 2.58330 0.00003 -0.01117 -0.01097 0.07846 15 5YY 2.35672 -0.00001 -0.04891 -0.19670 0.24549 16 5ZZ 2.25527 -0.00007 -0.00463 0.01470 0.05757 17 5XY -0.18609 -0.00006 -0.04623 -0.15898 0.14258 18 5XZ -0.00008 0.35994 -0.00002 0.00004 0.00002 19 5YZ 0.00003 -0.18754 0.00001 -0.00002 -0.00001 20 2 Al 1S 0.10099 0.00000 -0.00263 0.00649 -0.00818 21 2S -0.34696 -0.00001 -0.01021 -0.01772 0.07163 22 2PX 0.03193 0.00000 0.00454 -0.02396 0.01781 23 2PY -0.01624 0.00000 0.00075 0.01226 -0.00530 24 2PZ -0.00001 0.02451 0.00000 0.00001 0.00000 25 3S 5.99429 -0.00009 -0.16987 0.52107 -0.45114 26 3PX -0.13283 -0.00008 -0.07310 0.38038 -0.23740 27 3PY 0.08788 0.00006 -0.06332 -0.22320 0.05029 28 3PZ 0.00010 -0.52806 0.00001 0.00000 -0.00003 29 4S -0.27534 0.00025 -0.63487 -0.38617 0.11938 30 4PX 0.15624 0.00011 -0.12538 -0.21108 0.02268 31 4PY -0.07433 -0.00006 -0.14051 -0.21336 -0.37897 32 4PZ -0.00002 0.13185 -0.00001 0.00000 -0.00002 33 5XX -2.58321 -0.00003 0.00799 -0.01337 0.07840 34 5YY -2.35675 -0.00001 -0.00266 -0.20276 0.24556 35 5ZZ -2.25524 0.00006 0.00818 0.01303 0.05757 36 5XY 0.18607 0.00006 0.00436 -0.16545 0.14255 37 5XZ 0.00006 -0.35999 0.00001 -0.00002 -0.00002 38 5YZ -0.00004 0.18746 0.00000 -0.00003 0.00003 39 3 Cl 1S 0.00000 0.11577 0.01063 0.08242 -0.07749 40 2S -0.00001 -0.61443 -0.05764 -0.44693 0.41976 41 2PX -0.00403 0.00000 0.00398 -0.00051 0.00000 42 2PY 0.00368 -0.00001 -0.00348 0.00044 0.00000 43 2PZ 0.00000 0.02578 0.00465 0.03605 -0.03602 44 3S -0.00002 3.69787 0.34576 2.68068 -2.53072 45 3PX -0.18496 -0.00002 -0.02208 0.00282 0.00001 46 3PY 0.08728 0.00006 0.01509 -0.00188 -0.00003 47 3PZ 0.00001 -0.21505 -0.02840 -0.22020 0.21006 48 4S -0.00004 -0.26518 0.02287 0.17739 -0.25202 49 4PX 0.32389 0.00002 -0.11139 0.01428 -0.00004 50 4PY -0.16465 0.00002 0.14454 -0.01866 0.00002 51 4PZ -0.00008 -0.14780 -0.01524 -0.11814 -0.04725 52 5XX 0.00003 -1.87521 -0.17119 -1.32739 1.24249 53 5YY 0.00004 -1.80248 -0.16578 -1.28529 1.24487 54 5ZZ -0.00005 -1.78142 -0.18707 -1.45045 1.34766 55 5XY -0.00005 0.05695 0.00164 0.01266 -0.02586 56 5XZ 0.19343 0.00001 -0.02370 0.00304 0.00000 57 5YZ -0.10487 0.00001 0.02513 -0.00322 -0.00001 58 4 Cl 1S 0.00000 -0.11577 0.01064 0.08240 -0.07750 59 2S 0.00001 0.61442 -0.05770 -0.44685 0.41984 60 2PX -0.00403 0.00001 0.00398 -0.00052 0.00001 61 2PY 0.00368 0.00000 -0.00349 0.00045 0.00000 62 2PZ -0.00001 0.02578 -0.00465 -0.03604 0.03603 63 3S 0.00001 -3.69786 0.34609 2.68025 -2.53119 64 3PX -0.18497 -0.00006 -0.02209 0.00288 -0.00004 65 3PY 0.08729 0.00000 0.01511 -0.00197 0.00001 66 3PZ 0.00010 -0.21504 0.02842 0.22015 -0.21009 67 4S -0.00036 0.26517 0.02290 0.17740 -0.25203 68 4PX 0.32387 -0.00002 -0.11138 0.01438 -0.00001 69 4PY -0.16464 -0.00001 0.14447 -0.01864 0.00006 70 4PZ 0.00011 -0.14781 0.01521 0.11824 0.04733 71 5XX -0.00005 1.87519 -0.17136 -1.32714 1.24275 72 5YY 0.00002 1.80246 -0.16594 -1.28506 1.24510 73 5ZZ -0.00001 1.78141 -0.18724 -1.45023 1.34789 74 5XY 0.00005 -0.05695 0.00163 0.01265 -0.02585 75 5XZ -0.19341 0.00001 0.02370 -0.00307 0.00001 76 5YZ 0.10485 0.00002 -0.02512 0.00325 -0.00002 77 5 Cl 1S -0.00039 -0.00002 -0.10768 0.09493 0.08628 78 2S 0.02051 0.00008 0.52673 -0.48046 -0.42200 79 2PX 0.00062 0.00000 0.00182 -0.00182 -0.00102 80 2PY 0.01199 0.00000 -0.00595 -0.00188 0.01188 81 2PZ 0.00000 -0.00018 0.00000 0.00000 0.00000 82 3S 0.03161 -0.00052 -3.45931 3.02927 2.79270 83 3PX -0.00513 0.00000 -0.00944 0.01357 0.00323 84 3PY -0.01658 0.00000 0.03365 -0.00515 -0.05448 85 3PZ 0.00001 0.00196 -0.00001 0.00001 0.00001 86 4S -0.02430 -0.00001 -0.36605 0.56422 0.28910 87 4PX -0.01173 -0.00003 0.03514 -0.07904 0.00443 88 4PY 0.01041 0.00001 -0.13369 0.19515 0.08287 89 4PZ -0.00003 -0.00848 0.00002 -0.00005 0.00000 90 5XX 0.08005 0.00023 1.59338 -1.44098 -1.28350 91 5YY -0.10791 0.00023 1.57589 -1.38232 -1.30102 92 5ZZ 0.08291 0.00023 1.59471 -1.44486 -1.27683 93 5XY 0.01495 -0.00001 0.00356 -0.01920 0.00746 94 5XZ 0.00001 -0.00511 0.00000 0.00001 -0.00001 95 5YZ 0.00003 -0.00098 0.00000 -0.00002 0.00002 96 6 Cl 1S 0.00039 0.00000 0.12821 0.06453 0.08632 97 2S -0.02051 0.00002 -0.63120 -0.33122 -0.42220 98 2PX 0.00062 0.00000 0.00222 0.00130 0.00102 99 2PY 0.01199 0.00000 -0.00528 0.00333 -0.01189 100 2PZ 0.00000 -0.00018 0.00000 0.00000 0.00000 101 3S -0.03165 -0.00013 4.11341 2.05325 2.79400 102 3PX -0.00513 0.00000 -0.01257 -0.01073 -0.00324 103 3PY -0.01658 0.00000 0.03383 -0.00355 0.05450 104 3PZ 0.00000 0.00196 0.00000 0.00000 0.00001 105 4S 0.02436 -0.00001 0.49708 0.45294 0.28930 106 4PX -0.01173 -0.00001 0.05404 0.06754 -0.00439 107 4PY 0.01037 0.00001 -0.17877 -0.15486 -0.08295 108 4PZ 0.00000 -0.00846 -0.00002 -0.00003 -0.00001 109 5XX -0.08006 0.00006 -1.90625 -0.98992 -1.28411 110 5YY 0.10793 0.00006 -1.87445 -0.93761 -1.30162 111 5ZZ -0.08292 0.00006 -1.90852 -0.99333 -1.27744 112 5XY -0.01495 0.00000 -0.00831 -0.01766 0.00745 113 5XZ 0.00000 0.00512 0.00000 0.00000 0.00000 114 5YZ 0.00002 0.00097 0.00001 0.00001 0.00000 115 7 Br 1S 0.00089 0.00000 -0.00010 0.00070 0.00013 116 2S -0.00900 0.00000 0.00233 -0.00582 -0.00522 117 3S 0.01663 0.00000 -0.00604 0.01001 0.01405 118 4S 0.01470 0.00000 -0.00157 0.01254 0.00398 119 5S 0.15251 0.00003 0.00890 -0.03874 0.15038 120 6S -0.25235 -0.00007 -0.03867 0.03650 -0.37396 121 7PX 0.00207 0.00000 0.00032 -0.00173 0.00138 122 7PY 0.00182 0.00000 -0.00116 -0.00111 0.00153 123 7PZ 0.00000 0.00004 0.00000 0.00000 0.00000 124 8PX -0.00626 0.00000 -0.00110 0.00558 -0.00438 125 8PY -0.00562 0.00000 0.00391 0.00362 -0.00508 126 8PZ 0.00000 -0.00016 0.00000 0.00000 0.00000 127 9PX -0.02871 0.00000 0.00776 -0.00775 0.00043 128 9PY -0.00967 -0.00001 -0.01934 -0.00751 0.01982 129 9PZ 0.00000 0.00255 0.00001 -0.00001 -0.00001 130 10PX 0.01845 0.00000 -0.01945 -0.07096 0.10772 131 10PY 0.02071 0.00002 0.04774 -0.03932 -0.02025 132 10PZ 0.00000 -0.00989 -0.00001 0.00004 0.00001 133 11XX 0.00056 0.00000 0.00078 -0.00716 -0.00332 134 11YY -0.00965 0.00000 0.00405 -0.00423 -0.01057 135 11ZZ -0.01597 0.00000 0.00477 -0.00072 -0.01001 136 11XY 0.01000 0.00000 0.00125 -0.00355 0.00158 137 11XZ 0.00000 0.00219 0.00000 0.00000 0.00000 138 11YZ 0.00000 -0.00121 0.00000 0.00000 0.00000 139 12XX 0.00793 0.00001 0.02165 0.04907 0.00536 140 12YY 0.08017 0.00002 -0.00310 0.01829 0.06952 141 12ZZ 0.12322 0.00002 -0.00652 -0.00939 0.06728 142 12XY -0.07322 0.00000 -0.00653 0.03369 -0.01814 143 12XZ 0.00000 -0.01185 0.00000 -0.00002 0.00000 144 12YZ 0.00000 0.00610 0.00000 0.00000 0.00000 145 8 Br 1S -0.00089 0.00000 0.00027 0.00066 0.00013 146 2S 0.00901 0.00001 -0.00373 -0.00503 -0.00522 147 3S -0.01664 -0.00001 0.00838 0.00814 0.01405 148 4S -0.01475 -0.00001 0.00470 0.01173 0.00398 149 5S -0.15263 0.00000 -0.01841 -0.03529 0.15037 150 6S 0.25284 -0.00001 0.04659 0.02568 -0.37394 151 7PX 0.00207 0.00000 0.00075 0.00159 -0.00138 152 7PY 0.00182 0.00000 -0.00084 0.00137 -0.00153 153 7PZ 0.00000 0.00004 0.00000 0.00000 0.00000 154 8PX -0.00625 0.00000 -0.00249 -0.00511 0.00438 155 8PY -0.00562 0.00000 0.00286 -0.00449 0.00508 156 8PZ 0.00000 -0.00016 0.00000 0.00000 0.00000 157 9PX -0.02874 0.00001 0.00948 0.00551 -0.00043 158 9PY -0.00969 0.00000 -0.01681 0.01217 -0.01983 159 9PZ 0.00000 0.00255 0.00000 0.00000 0.00000 160 10PX 0.01851 -0.00003 -0.00082 0.07361 -0.10772 161 10PY 0.02073 0.00000 0.05615 0.02593 0.02025 162 10PZ -0.00001 -0.00990 0.00000 0.00001 -0.00002 163 11XX -0.00056 0.00001 -0.00257 -0.00673 -0.00332 164 11YY 0.00965 0.00000 -0.00499 -0.00307 -0.01057 165 11ZZ 0.01597 0.00001 -0.00480 0.00052 -0.01001 166 11XY -0.01000 0.00000 -0.00211 -0.00312 0.00158 167 11XZ 0.00000 -0.00219 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00121 0.00000 0.00000 0.00000 169 12XX -0.00808 -0.00002 -0.00848 0.05291 0.00535 170 12YY -0.08031 0.00001 0.00766 0.01687 0.06951 171 12ZZ -0.12337 0.00000 0.00393 -0.01079 0.06727 172 12XY 0.07322 0.00000 0.01486 0.03093 -0.01815 173 12XZ 0.00001 0.01184 0.00000 0.00002 -0.00002 174 12YZ 0.00001 -0.00610 0.00000 0.00001 -0.00001 171 172 173 174 V V V V Eigenvalues -- 8.74358 8.80991 75.58666 76.82910 1 1 Al 1S 0.00033 0.00156 -0.00027 0.00255 2 2S 0.01873 0.03139 -0.02588 0.04038 3 2PX 0.01009 -0.00247 -0.01168 -0.00242 4 2PY -0.00183 -0.00289 0.00281 -0.00360 5 2PZ 0.00000 0.00000 0.00000 0.00000 6 3S 0.08289 0.18344 -0.09206 0.28299 7 3PX -0.07220 -0.08774 0.08940 -0.11377 8 3PY 0.07072 0.02851 -0.08915 0.04316 9 3PZ 0.00003 -0.00002 -0.00004 -0.00003 10 4S 0.19622 -0.40030 -0.25788 -0.60362 11 4PX 0.28309 -0.39366 -0.43435 -0.58512 12 4PY 0.08158 -0.46587 -0.11478 -0.68818 13 4PZ 0.00000 -0.00001 0.00001 -0.00001 14 5XX 0.01698 0.02526 -0.02242 0.02258 15 5YY 0.00348 0.00858 -0.00947 0.00189 16 5ZZ 0.03008 -0.00162 -0.04083 -0.01200 17 5XY -0.03345 0.01750 0.04135 0.02232 18 5XZ 0.00000 0.00001 0.00000 0.00001 19 5YZ 0.00000 0.00000 0.00000 0.00000 20 2 Al 1S -0.00033 0.00156 0.00027 0.00255 21 2S -0.01872 0.03140 0.02588 0.04038 22 2PX 0.01008 0.00247 -0.01168 0.00242 23 2PY -0.00183 0.00288 0.00280 0.00360 24 2PZ 0.00000 0.00000 0.00000 0.00000 25 3S -0.08286 0.18349 0.09204 0.28305 26 3PX -0.07218 0.08775 0.08940 0.11378 27 3PY 0.07069 -0.02848 -0.08912 -0.04310 28 3PZ 0.00000 -0.00001 0.00000 -0.00002 29 4S -0.19627 -0.40052 0.25790 -0.60396 30 4PX 0.28303 0.39350 -0.43421 0.58493 31 4PY 0.08165 0.46602 -0.11482 0.68841 32 4PZ 0.00004 0.00012 -0.00005 0.00018 33 5XX -0.01698 0.02525 0.02243 0.02257 34 5YY -0.00346 0.00857 0.00945 0.00186 35 5ZZ -0.03009 -0.00162 0.04085 -0.01199 36 5XY 0.03345 0.01751 -0.04136 0.02234 37 5XZ 0.00000 0.00000 0.00000 0.00000 38 5YZ 0.00001 0.00001 -0.00001 0.00001 39 3 Cl 1S 0.00000 -0.00005 0.00000 0.00005 40 2S 0.00000 0.00458 0.00000 0.00489 41 2PX 0.00085 0.00000 0.00033 0.00000 42 2PY -0.00286 0.00000 0.00386 0.00000 43 2PZ 0.00000 -0.00258 0.00000 -0.00334 44 3S 0.00000 0.00850 0.00001 0.01815 45 3PX -0.01541 0.00000 0.01319 0.00000 46 3PY 0.01720 -0.00001 -0.02312 -0.00001 47 3PZ 0.00000 0.01641 0.00000 0.02283 48 4S 0.00004 -0.04429 -0.00006 -0.03735 49 4PX -0.12007 0.00000 0.16503 -0.00001 50 4PY -0.02805 0.00002 0.04599 0.00003 51 4PZ -0.00002 -0.14342 0.00001 -0.19718 52 5XX -0.00001 0.00743 0.00001 0.00207 53 5YY -0.00001 0.00705 0.00001 0.00515 54 5ZZ -0.00001 -0.00335 0.00001 -0.00916 55 5XY 0.00000 0.00562 0.00000 0.00675 56 5XZ -0.01683 0.00000 0.01817 0.00000 57 5YZ 0.00248 0.00000 -0.00273 0.00000 58 4 Cl 1S 0.00000 -0.00005 0.00000 0.00005 59 2S 0.00000 0.00458 0.00000 0.00489 60 2PX 0.00085 0.00000 0.00033 0.00000 61 2PY -0.00286 0.00000 0.00386 0.00000 62 2PZ 0.00000 0.00258 0.00000 0.00334 63 3S 0.00000 0.00848 0.00000 0.01813 64 3PX -0.01541 0.00000 0.01319 0.00000 65 3PY 0.01721 0.00001 -0.02312 0.00001 66 3PZ 0.00000 -0.01640 0.00000 -0.02282 67 4S -0.00001 -0.04424 0.00001 -0.03729 68 4PX -0.12012 0.00002 0.16510 0.00002 69 4PY -0.02806 -0.00007 0.04600 -0.00010 70 4PZ 0.00001 0.14331 0.00000 0.19702 71 5XX 0.00001 0.00745 -0.00001 0.00209 72 5YY 0.00000 0.00704 0.00000 0.00515 73 5ZZ 0.00000 -0.00334 0.00000 -0.00915 74 5XY 0.00000 0.00562 0.00000 0.00675 75 5XZ 0.01684 0.00000 -0.01818 0.00000 76 5YZ -0.00248 0.00000 0.00273 0.00001 77 5 Cl 1S 0.00020 -0.00016 -0.00010 0.00031 78 2S -0.00111 0.00655 0.00078 0.00682 79 2PX -0.00401 0.00106 0.00563 0.00169 80 2PY 0.00027 0.00059 -0.00036 0.00083 81 2PZ 0.00000 0.00000 0.00000 0.00000 82 3S 0.00913 -0.00726 -0.00700 0.00777 83 3PX 0.02131 -0.00662 -0.03046 -0.01020 84 3PY -0.00133 -0.00310 0.00199 -0.00439 85 3PZ 0.00000 -0.00001 0.00000 -0.00001 86 4S -0.01283 -0.10643 0.01916 -0.15284 87 4PX -0.07364 0.05112 0.10819 0.07475 88 4PY -0.00964 0.01527 0.01467 0.02265 89 4PZ -0.00001 0.00002 0.00001 0.00003 90 5XX -0.00146 0.01638 -0.00006 0.01524 91 5YY -0.00633 0.02031 0.00662 0.02062 92 5ZZ -0.00828 0.01543 0.00857 0.01398 93 5XY -0.00541 0.00531 0.00672 0.00629 94 5XZ 0.00000 0.00000 0.00000 0.00000 95 5YZ 0.00000 0.00000 0.00000 0.00000 96 6 Cl 1S -0.00020 -0.00016 0.00010 0.00031 97 2S 0.00111 0.00656 -0.00077 0.00682 98 2PX -0.00401 -0.00106 0.00563 -0.00168 99 2PY 0.00027 -0.00059 -0.00036 -0.00084 100 2PZ 0.00000 0.00000 0.00000 0.00000 101 3S -0.00912 -0.00726 0.00700 0.00778 102 3PX 0.02131 0.00662 -0.03046 0.01020 103 3PY -0.00132 0.00311 0.00199 0.00440 104 3PZ 0.00000 0.00001 0.00000 0.00001 105 4S 0.01284 -0.10650 -0.01919 -0.15295 106 4PX -0.07364 -0.05112 0.10817 -0.07476 107 4PY -0.00966 -0.01527 0.01470 -0.02265 108 4PZ -0.00001 -0.00002 0.00001 -0.00003 109 5XX 0.00145 0.01639 0.00006 0.01524 110 5YY 0.00633 0.02032 -0.00662 0.02063 111 5ZZ 0.00827 0.01543 -0.00855 0.01399 112 5XY 0.00541 0.00531 -0.00672 0.00630 113 5XZ 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00000 115 7 Br 1S -0.08187 0.08251 -0.67198 -0.67709 116 2S 1.29604 -1.29649 -2.40159 -2.43727 117 3S -3.96490 3.97538 7.36993 7.48906 118 4S 1.48731 -1.53163 14.08928 14.16389 119 5S -1.37185 1.19972 5.57606 5.40118 120 6S -3.09646 3.62487 5.05130 5.85795 121 7PX -0.00362 0.00460 0.00466 0.00592 122 7PY -0.00164 0.00208 0.00214 0.00270 123 7PZ 0.00000 0.00000 0.00000 0.00000 124 8PX 0.01221 -0.01553 -0.01637 -0.02084 125 8PY 0.00553 -0.00702 -0.00754 -0.00951 126 8PZ 0.00000 0.00000 0.00000 0.00000 127 9PX -0.06009 0.07822 0.08365 0.10899 128 9PY -0.02759 0.03454 0.03908 0.04860 129 9PZ 0.00000 0.00000 -0.00001 -0.00001 130 10PX 0.16041 -0.22938 -0.23085 -0.33105 131 10PY 0.07533 -0.09651 -0.11078 -0.14023 132 10PZ -0.00001 0.00001 0.00002 0.00002 133 11XX 1.39648 -1.38989 -10.88983 -11.00205 134 11YY 1.39547 -1.38696 -10.88865 -10.99827 135 11ZZ 1.39441 -1.38852 -10.88718 -11.00039 136 11XY 0.00053 -0.00118 -0.00067 -0.00157 137 11XZ 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 139 12XX 1.32288 -1.42835 -2.47076 -2.64738 140 12YY 1.33090 -1.44887 -2.48043 -2.67470 141 12ZZ 1.33773 -1.43918 -2.49021 -2.66107 142 12XY -0.00382 0.00836 0.00499 0.01129 143 12XZ 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.08187 0.08250 0.67197 -0.67709 146 2S -1.29614 -1.29638 2.40157 -2.43728 147 3S 3.96521 3.97506 -7.36989 7.48911 148 4S -1.48743 -1.53151 -14.08918 14.16398 149 5S 1.37195 1.19959 -5.57603 5.40120 150 6S 3.09674 3.62468 -5.05125 5.85805 151 7PX -0.00362 -0.00460 0.00466 -0.00592 152 7PY -0.00164 -0.00208 0.00214 -0.00270 153 7PZ 0.00000 0.00000 0.00000 0.00000 154 8PX 0.01221 0.01553 -0.01637 0.02084 155 8PY 0.00553 0.00702 -0.00755 0.00951 156 8PZ 0.00000 0.00000 0.00000 0.00000 157 9PX -0.06010 -0.07821 0.08365 -0.10898 158 9PY -0.02760 -0.03456 0.03908 -0.04862 159 9PZ -0.00001 -0.00001 0.00001 -0.00002 160 10PX 0.16043 0.22936 -0.23085 0.33103 161 10PY 0.07535 0.09655 -0.11080 0.14030 162 10PZ 0.00003 0.00003 -0.00004 0.00004 163 11XX -1.39659 -1.38978 10.88976 -11.00213 164 11YY -1.39558 -1.38684 10.88858 -10.99834 165 11ZZ -1.39452 -1.38841 10.88711 -11.00046 166 11XY -0.00053 -0.00119 0.00067 -0.00157 167 11XZ 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 169 12XX -1.32299 -1.42826 2.47074 -2.64741 170 12YY -1.33102 -1.44877 2.48042 -2.67472 171 12ZZ -1.33785 -1.43908 2.49020 -2.66110 172 12XY 0.00382 0.00837 -0.00498 0.01130 173 12XZ 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 Density Matrix: 1 2 3 4 5 1 1 Al 1S 2.12971 2 2S -0.53904 2.23905 3 2PX 0.00643 -0.03391 2.03262 4 2PY -0.00331 0.01805 -0.01064 2.01751 5 2PZ 0.00000 0.00000 0.00000 -0.00001 2.05250 6 3S -0.04572 -0.09436 0.02064 -0.00847 0.00000 7 3PX -0.00455 0.01748 -0.05936 0.00998 -0.00001 8 3PY 0.00210 -0.00920 0.01090 -0.04522 0.00001 9 3PZ 0.00000 0.00001 -0.00001 0.00001 -0.06673 10 4S 0.01651 -0.04240 -0.00891 0.00107 0.00000 11 4PX -0.00221 0.00710 -0.01032 -0.00614 0.00000 12 4PY 0.00148 -0.00683 -0.00761 -0.01115 0.00000 13 4PZ 0.00000 0.00000 0.00000 -0.00001 0.00014 14 5XX 0.02933 -0.03416 0.00803 -0.00741 0.00001 15 5YY 0.02904 -0.03699 -0.00267 0.00595 0.00000 16 5ZZ 0.03044 -0.04306 0.02029 -0.01166 0.00000 17 5XY -0.00092 0.00047 -0.00969 0.00309 0.00000 18 5XZ 0.00000 0.00000 0.00000 0.00000 0.03240 19 5YZ 0.00000 0.00001 0.00000 0.00000 -0.01615 20 2 Al 1S -0.00012 0.00185 0.00323 -0.00174 0.00000 21 2S 0.00185 -0.01036 -0.01033 0.00618 0.00000 22 2PX -0.00323 0.01033 -0.02883 0.01964 0.00000 23 2PY 0.00174 -0.00619 0.01964 0.00016 0.00000 24 2PZ 0.00000 0.00000 0.00000 0.00000 -0.01160 25 3S -0.00089 0.02628 0.04175 -0.01990 -0.00001 26 3PX 0.00410 -0.00454 0.06231 -0.03620 -0.00001 27 3PY -0.00240 0.00457 -0.03739 0.00597 0.00000 28 3PZ 0.00000 0.00000 -0.00001 0.00000 0.03905 29 4S -0.00865 0.02360 -0.01195 0.00256 0.00000 30 4PX -0.00417 0.01078 -0.00303 0.00867 0.00000 31 4PY 0.00181 -0.00285 0.01132 0.00908 0.00000 32 4PZ 0.00000 0.00000 0.00000 0.00000 -0.00349 33 5XX 0.00534 -0.02600 0.02186 -0.02669 0.00000 34 5YY 0.00224 -0.01454 0.00572 0.01272 0.00000 35 5ZZ -0.00428 0.01897 -0.02784 0.01404 0.00000 36 5XY -0.00263 0.00972 -0.02860 0.00148 0.00000 37 5XZ 0.00000 0.00000 -0.00001 0.00000 0.00006 38 5YZ 0.00000 0.00000 0.00000 0.00000 -0.00011 39 3 Cl 1S 0.00191 -0.00903 0.00657 -0.00329 0.01142 40 2S -0.00934 0.04338 -0.03148 0.01595 -0.05265 41 2PX -0.01154 0.05742 -0.01614 0.02412 -0.05182 42 2PY 0.00595 -0.02954 0.02393 0.01840 0.02658 43 2PZ -0.00849 0.03064 -0.03673 0.01892 -0.03761 44 3S 0.01445 -0.07118 0.06182 -0.03033 0.11314 45 3PX 0.02992 -0.15247 0.04940 -0.06603 0.13989 46 3PY -0.01545 0.07858 -0.06560 -0.04554 -0.07174 47 3PZ 0.02030 -0.08810 0.09376 -0.04820 0.10951 48 4S -0.00203 0.01666 -0.03814 0.01833 0.03300 49 4PX 0.00617 -0.02343 0.01342 -0.01862 0.03703 50 4PY -0.00314 0.01219 -0.01845 -0.01386 -0.01908 51 4PZ 0.00165 -0.00728 -0.00142 -0.00093 0.05095 52 5XX -0.00043 0.00175 -0.01168 0.00358 -0.00221 53 5YY -0.00060 0.00349 -0.00366 0.00407 0.00109 54 5ZZ 0.00275 -0.00946 0.01279 -0.00606 0.00152 55 5XY -0.00004 0.00055 0.00376 -0.00378 0.00273 56 5XZ 0.00267 -0.01336 -0.00492 -0.00133 -0.00193 57 5YZ -0.00138 0.00688 -0.00132 -0.00703 0.00102 58 4 Cl 1S 0.00191 -0.00903 0.00657 -0.00329 -0.01142 59 2S -0.00934 0.04337 -0.03147 0.01594 0.05265 60 2PX -0.01154 0.05741 -0.01613 0.02411 0.05182 61 2PY 0.00595 -0.02953 0.02392 0.01840 -0.02657 62 2PZ 0.00849 -0.03065 0.03672 -0.01892 -0.03763 63 3S 0.01444 -0.07116 0.06179 -0.03031 -0.11315 64 3PX 0.02992 -0.15244 0.04938 -0.06600 -0.13989 65 3PY -0.01544 0.07855 -0.06557 -0.04554 0.07172 66 3PZ -0.02030 0.08810 -0.09374 0.04817 0.10956 67 4S -0.00203 0.01665 -0.03814 0.01833 -0.03300 68 4PX 0.00617 -0.02343 0.01341 -0.01861 -0.03703 69 4PY -0.00314 0.01218 -0.01845 -0.01386 0.01907 70 4PZ -0.00165 0.00728 0.00142 0.00092 0.05096 71 5XX -0.00043 0.00176 -0.01168 0.00358 0.00222 72 5YY -0.00060 0.00349 -0.00366 0.00407 -0.00109 73 5ZZ 0.00276 -0.00946 0.01279 -0.00606 -0.00152 74 5XY -0.00004 0.00055 0.00376 -0.00378 -0.00273 75 5XZ -0.00267 0.01336 0.00492 0.00133 -0.00193 76 5YZ 0.00138 -0.00688 0.00131 0.00703 0.00103 77 5 Cl 1S 0.00020 -0.00090 -0.00075 0.00338 0.00000 78 2S -0.00100 0.00440 0.00344 -0.01514 0.00000 79 2PX 0.00021 -0.00463 0.00871 0.00944 0.00000 80 2PY -0.00773 0.03808 0.01555 -0.05225 0.00001 81 2PZ 0.00000 -0.00001 0.00000 0.00001 0.00963 82 3S 0.00114 -0.00359 -0.00535 0.02748 0.00000 83 3PX -0.00047 0.01149 -0.02169 -0.02363 0.00000 84 3PY 0.01935 -0.09494 -0.03942 0.13154 -0.00001 85 3PZ -0.00001 0.00003 0.00001 -0.00004 -0.02412 86 4S 0.00110 0.00421 -0.00183 0.00209 0.00000 87 4PX 0.00024 0.00351 -0.01110 -0.01081 0.00000 88 4PY 0.01008 -0.03952 -0.01744 0.06070 0.00000 89 4PZ 0.00000 0.00001 0.00000 -0.00002 -0.01057 90 5XX -0.00079 0.00286 0.00143 -0.00228 0.00000 91 5YY 0.00097 -0.00717 -0.00331 0.00691 0.00000 92 5ZZ -0.00081 0.00306 0.00095 -0.00291 0.00000 93 5XY -0.00015 0.00146 -0.00204 -0.00316 0.00000 94 5XZ 0.00000 0.00000 0.00000 0.00000 0.00053 95 5YZ 0.00000 0.00000 0.00000 0.00000 -0.00231 96 6 Cl 1S 0.00008 0.00014 0.00057 0.00007 0.00000 97 2S -0.00040 -0.00007 -0.00250 -0.00015 0.00000 98 2PX 0.00035 0.00298 -0.00087 -0.00563 0.00000 99 2PY 0.00121 -0.00769 0.00346 0.00526 0.00000 100 2PZ 0.00000 0.00000 0.00000 0.00000 0.00621 101 3S 0.00063 -0.00046 0.00522 0.00118 0.00000 102 3PX -0.00092 -0.00799 0.00200 0.01452 0.00000 103 3PY -0.00306 0.02188 -0.00910 -0.01335 0.00000 104 3PZ 0.00000 0.00000 0.00000 0.00000 -0.01600 105 4S 0.00133 -0.00557 0.00550 -0.00564 0.00000 106 4PX 0.00005 -0.00670 0.00112 0.00877 0.00000 107 4PY -0.00246 0.01391 -0.01049 -0.00515 0.00000 108 4PZ 0.00000 0.00000 0.00000 0.00000 -0.01070 109 5XX -0.00009 0.00029 -0.00002 -0.00016 0.00000 110 5YY 0.00003 -0.00060 0.00006 0.00046 0.00000 111 5ZZ -0.00011 0.00068 -0.00024 -0.00003 0.00000 112 5XY 0.00016 -0.00008 0.00045 -0.00071 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00016 114 5YZ 0.00000 0.00000 0.00000 0.00000 -0.00046 115 7 Br 1S -0.00005 0.00092 0.00126 0.00067 0.00000 116 2S 0.00042 -0.00504 -0.00904 -0.00425 0.00000 117 3S -0.00054 0.00452 0.01169 0.00467 0.00000 118 4S -0.00120 0.00727 0.01962 0.00899 0.00000 119 5S -0.00074 -0.00270 -0.02320 -0.00961 0.00000 120 6S 0.00273 0.00794 0.01408 0.00412 0.00000 121 7PX -0.00239 0.01280 0.01696 0.00786 0.00000 122 7PY -0.00166 0.00666 0.01072 0.00030 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 -0.00329 124 8PX 0.00750 -0.04086 -0.05124 -0.02433 0.00000 125 8PY 0.00522 -0.02184 -0.03269 -0.00049 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.01035 127 9PX -0.01325 0.07241 0.09242 0.04336 0.00000 128 9PY -0.00923 0.03887 0.05885 0.00129 -0.00001 129 9PZ 0.00000 0.00000 0.00000 -0.00001 -0.01846 130 10PX -0.01123 0.05195 0.06872 0.03366 0.00000 131 10PY -0.00837 0.02966 0.04480 -0.00115 0.00000 132 10PZ 0.00000 0.00000 0.00000 -0.00001 -0.01353 133 11XX -0.00018 0.00031 -0.00388 -0.00057 0.00000 134 11YY 0.00048 -0.00298 -0.00539 -0.00321 0.00000 135 11ZZ 0.00075 -0.00429 -0.00631 -0.00242 0.00000 136 11XY -0.00059 0.00274 0.00169 -0.00039 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 -0.00110 138 11YZ 0.00000 0.00000 0.00000 0.00000 -0.00051 139 12XX 0.00092 -0.00853 -0.01294 -0.00608 0.00000 140 12YY -0.00049 -0.00096 -0.00500 0.00164 0.00000 141 12ZZ -0.00135 0.00239 -0.00202 -0.00010 0.00000 142 12XY 0.00160 -0.00700 -0.00680 0.00060 0.00000 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00210 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00101 145 8 Br 1S 0.00003 0.00184 0.00008 0.00009 0.00000 146 2S -0.00015 -0.00894 0.00002 -0.00097 0.00000 147 3S 0.00011 0.00624 -0.00084 0.00166 0.00000 148 4S -0.00007 0.00941 -0.00127 0.00287 0.00000 149 5S 0.00020 0.00116 -0.00163 -0.00410 0.00000 150 6S 0.00179 -0.00406 0.01409 0.00071 0.00000 151 7PX 0.00036 -0.00237 -0.00136 -0.00296 0.00000 152 7PY 0.00045 -0.00024 0.00074 -0.00006 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 -0.00254 154 8PX -0.00101 0.01100 0.00519 0.00887 0.00000 155 8PY -0.00132 0.00277 -0.00227 0.00039 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00757 157 9PX 0.00174 -0.02123 -0.00943 -0.01604 0.00000 158 9PY 0.00240 -0.00603 0.00412 -0.00088 0.00000 159 9PZ 0.00000 0.00000 0.00000 0.00000 -0.01369 160 10PX 0.00241 -0.02047 -0.00318 -0.01614 0.00000 161 10PY 0.00209 -0.00428 0.00771 -0.00136 0.00000 162 10PZ 0.00000 0.00000 0.00000 0.00000 -0.01360 163 11XX -0.00015 -0.00349 0.00083 -0.00063 0.00000 164 11YY -0.00023 -0.00362 -0.00012 -0.00070 0.00000 165 11ZZ -0.00017 -0.00429 0.00016 -0.00081 0.00000 166 11XY -0.00003 0.00040 0.00021 0.00015 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 -0.00040 168 11YZ 0.00000 0.00000 0.00000 0.00000 -0.00010 169 12XX -0.00024 -0.00211 -0.00178 -0.00187 0.00000 170 12YY -0.00021 -0.00039 0.00036 -0.00013 0.00000 171 12ZZ -0.00040 0.00019 -0.00136 -0.00017 0.00000 172 12XY 0.00023 -0.00081 0.00114 -0.00026 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 -0.00008 174 12YZ 0.00000 0.00000 0.00000 0.00000 -0.00040 6 7 8 9 10 6 3S 0.71719 7 3PX -0.09749 0.34708 8 3PY 0.03968 -0.02041 0.32172 9 3PZ 0.00002 0.00000 -0.00002 0.27187 10 4S 0.02482 -0.03569 0.02527 0.00002 0.30096 11 4PX 0.02013 0.02386 0.00446 0.00000 -0.16775 12 4PY -0.00555 0.00578 0.00846 0.00000 0.10098 13 4PZ -0.00001 0.00000 0.00001 0.00429 0.00002 14 5XX -0.02838 -0.00983 0.00827 -0.00001 -0.02094 15 5YY -0.05566 0.05310 -0.03228 0.00000 0.01840 16 5ZZ -0.04658 -0.00044 0.00433 0.00001 0.00133 17 5XY -0.02963 0.04936 -0.02518 0.00000 0.03776 18 5XZ -0.00001 0.00000 0.00000 -0.07097 0.00000 19 5YZ 0.00000 0.00000 0.00001 0.03521 0.00001 20 2 Al 1S -0.00089 -0.00410 0.00240 0.00000 -0.00865 21 2S 0.02628 0.00455 -0.00456 0.00000 0.02359 22 2PX -0.04174 0.06231 -0.03739 -0.00001 0.01194 23 2PY 0.01992 -0.03621 0.00597 0.00000 -0.00258 24 2PZ 0.00000 -0.00001 0.00000 0.03905 0.00000 25 3S -0.01335 -0.05445 0.02508 0.00001 -0.06701 26 3PX 0.05444 -0.08306 0.03533 0.00001 -0.09055 27 3PY -0.02509 0.03534 -0.02070 0.00000 0.03465 28 3PZ -0.00001 0.00001 -0.00001 -0.07435 -0.00001 29 4S -0.06704 0.09055 -0.03467 -0.00001 -0.26925 30 4PX -0.04951 0.03567 -0.01654 -0.00001 -0.14096 31 4PY 0.02455 -0.02877 0.00790 0.00000 0.07499 32 4PZ 0.00000 -0.00001 0.00000 -0.00255 0.00002 33 5XX 0.05638 -0.02808 0.03981 0.00001 0.01661 34 5YY 0.00812 -0.00943 -0.02075 0.00000 0.00045 35 5ZZ -0.04445 0.04514 -0.02231 -0.00001 0.00195 36 5XY -0.04061 0.04111 0.00141 0.00000 -0.01474 37 5XZ -0.00001 0.00001 0.00000 -0.00338 -0.00001 38 5YZ 0.00001 -0.00001 0.00000 0.00200 0.00000 39 3 Cl 1S 0.01673 -0.01060 0.00517 -0.01926 -0.00608 40 2S -0.08201 0.05099 -0.02511 0.08867 0.02490 41 2PX -0.13220 0.05205 -0.06154 0.12262 0.02479 42 2PY 0.06865 -0.06104 -0.03645 -0.06270 -0.00673 43 2PZ -0.14947 0.10478 -0.05367 0.08378 -0.00141 44 3S 0.12159 -0.07534 0.03481 -0.15274 -0.03202 45 3PX 0.30568 -0.10152 0.13684 -0.26661 0.05050 46 3PY -0.15785 0.13537 0.09666 0.13643 -0.03925 47 3PZ 0.26841 -0.18812 0.09607 -0.18138 -0.01569 48 4S -0.12317 0.12498 -0.06382 0.03843 -0.00081 49 4PX 0.02493 -0.01852 0.01398 -0.02019 -0.01755 50 4PY -0.01365 0.01416 0.00236 0.01034 0.00403 51 4PZ -0.01158 0.03220 -0.01333 -0.04701 0.01303 52 5XX -0.00651 0.02683 0.00130 -0.00702 0.00245 53 5YY -0.01549 0.00804 -0.01838 0.00101 0.00223 54 5ZZ 0.03830 -0.03945 0.01907 -0.00764 -0.00558 55 5XY -0.00754 0.00064 0.01171 0.00650 0.00165 56 5XZ 0.03689 -0.00611 0.01505 -0.01946 0.00800 57 5YZ -0.01914 0.01517 0.01621 0.00996 -0.00521 58 4 Cl 1S 0.01673 -0.01059 0.00516 0.01926 -0.00608 59 2S -0.08201 0.05098 -0.02509 -0.08867 0.02489 60 2PX -0.13217 0.05203 -0.06151 -0.12262 0.02479 61 2PY 0.06863 -0.06101 -0.03646 0.06268 -0.00667 62 2PZ 0.14949 -0.10478 0.05366 0.08382 0.00140 63 3S 0.12158 -0.07532 0.03480 0.15274 -0.03203 64 3PX 0.30564 -0.10148 0.13679 0.26661 0.05053 65 3PY -0.15780 0.13532 0.09666 -0.13639 -0.03930 66 3PZ -0.26847 0.18813 -0.09603 -0.18146 0.01571 67 4S -0.12316 0.12496 -0.06380 -0.03845 -0.00078 68 4PX 0.02493 -0.01852 0.01398 0.02019 -0.01754 69 4PY -0.01365 0.01417 0.00235 -0.01033 0.00402 70 4PZ 0.01158 -0.03219 0.01333 -0.04701 -0.01303 71 5XX -0.00652 0.02684 0.00129 0.00701 0.00245 72 5YY -0.01549 0.00805 -0.01838 -0.00101 0.00222 73 5ZZ 0.03831 -0.03945 0.01907 0.00765 -0.00558 74 5XY -0.00753 0.00064 0.01171 -0.00649 0.00165 75 5XZ -0.03689 0.00610 -0.01504 -0.01946 -0.00801 76 5YZ 0.01913 -0.01516 -0.01622 0.00995 0.00522 77 5 Cl 1S -0.00027 0.00098 -0.00499 0.00000 -0.00714 78 2S 0.00166 -0.00401 0.02101 0.00000 0.02831 79 2PX -0.01757 -0.02607 -0.03029 0.00000 0.06570 80 2PY -0.08403 -0.04157 0.15000 -0.00002 0.00650 81 2PZ 0.00004 0.00000 -0.00004 -0.03495 0.00004 82 3S -0.01490 0.00384 -0.04057 0.00001 -0.02893 83 3PX 0.04773 0.06933 0.07561 0.00002 -0.26383 84 3PY 0.22229 0.10309 -0.37501 0.00005 -0.01073 85 3PZ -0.00010 -0.00001 0.00011 0.08928 -0.00008 86 4S -0.03276 -0.00477 0.04335 -0.00001 0.00484 87 4PX 0.02792 0.02879 0.02717 0.00001 -0.12899 88 4PY 0.08438 0.03814 -0.14138 0.00002 -0.00581 89 4PZ -0.00004 0.00000 0.00005 0.03865 -0.00005 90 5XX -0.00640 -0.00260 0.00496 0.00000 0.00159 91 5YY 0.01950 0.00692 -0.02091 0.00000 -0.00236 92 5ZZ -0.00611 -0.00197 0.00610 0.00000 -0.00066 93 5XY -0.00088 0.00396 0.00730 0.00000 -0.00882 94 5XZ 0.00000 0.00000 0.00000 -0.00112 0.00000 95 5YZ -0.00001 0.00000 0.00001 0.00402 0.00000 96 6 Cl 1S 0.00327 -0.00288 0.00096 0.00000 0.00136 97 2S -0.01354 0.01228 -0.00425 0.00000 -0.00741 98 2PX 0.02848 -0.00075 0.01861 0.00000 0.03758 99 2PY 0.00579 -0.01217 -0.01438 0.00000 0.01161 100 2PZ 0.00000 0.00000 -0.00001 -0.01422 -0.00001 101 3S 0.01695 -0.01753 0.00554 0.00000 0.00991 102 3PX -0.07398 0.00770 -0.04980 -0.00001 -0.18329 103 3PY -0.00632 0.02571 0.04246 0.00000 -0.03168 104 3PZ 0.00001 0.00000 0.00001 0.03229 0.00003 105 4S 0.02172 -0.02012 0.01273 0.00000 -0.01185 106 4PX -0.03036 -0.00211 -0.02440 -0.00001 -0.08872 107 4PY -0.01573 0.02396 0.01236 0.00000 -0.01124 108 4PZ 0.00001 0.00000 0.00001 0.02325 0.00002 109 5XX -0.00111 0.00075 0.00028 0.00000 -0.00123 110 5YY -0.00062 0.00016 -0.00228 0.00000 0.00293 111 5ZZ -0.00111 0.00124 0.00002 0.00000 -0.00001 112 5XY 0.00315 -0.00074 0.00205 0.00000 0.00609 113 5XZ 0.00000 0.00000 0.00000 -0.00024 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00040 0.00000 115 7 Br 1S 0.00422 -0.00272 -0.00265 0.00000 -0.02404 116 2S -0.02058 0.01649 0.01470 0.00001 0.11325 117 3S 0.01399 -0.01775 -0.01385 0.00000 -0.07308 118 4S 0.02658 -0.02683 -0.02100 -0.00001 -0.10794 119 5S -0.00337 0.04817 0.02642 0.00000 -0.02230 120 6S -0.05147 -0.09908 -0.05092 -0.00001 -0.00091 121 7PX -0.01763 -0.04487 -0.01996 0.00000 0.01995 122 7PY -0.02437 -0.02570 -0.00091 0.00000 0.00091 123 7PZ 0.00000 0.00000 0.00000 0.01080 0.00000 124 8PX 0.06341 0.14230 0.07086 -0.00001 0.06266 125 8PY 0.08019 0.08760 0.00058 -0.00001 -0.10261 126 8PZ 0.00000 -0.00001 -0.00001 -0.03603 -0.00006 127 9PX -0.11282 -0.25758 -0.12988 0.00001 -0.16257 128 9PY -0.14484 -0.16034 -0.00022 0.00002 0.22698 129 9PZ 0.00001 0.00001 0.00002 0.06581 0.00013 130 10PX -0.07262 -0.16341 -0.08389 0.00001 -0.12476 131 10PY -0.10826 -0.10495 0.00395 0.00002 0.18189 132 10PZ 0.00001 0.00001 0.00001 0.04660 0.00011 133 11XX -0.01702 0.00026 -0.00058 0.00000 0.02922 134 11YY -0.00624 0.00921 0.01188 0.00000 0.06860 135 11ZZ -0.00149 0.01616 0.01005 0.00000 0.04028 136 11XY -0.01094 -0.01129 -0.00120 0.00000 -0.00316 137 11XZ 0.00000 0.00000 0.00000 0.00344 0.00001 138 11YZ 0.00000 0.00000 0.00000 0.00300 0.00001 139 12XX 0.01639 0.03060 0.01700 0.00000 0.02119 140 12YY 0.00580 0.01722 0.00651 0.00000 0.00213 141 12ZZ -0.00392 0.01248 0.00819 0.00000 0.00955 142 12XY 0.01758 0.01126 0.00163 0.00000 -0.00774 143 12XZ 0.00000 0.00000 0.00000 -0.00221 -0.00001 144 12YZ 0.00000 0.00000 0.00000 -0.00014 0.00000 145 8 Br 1S 0.00919 -0.00431 0.00292 0.00000 -0.00950 146 2S -0.04221 0.01863 -0.01290 0.00000 0.04813 147 3S 0.02520 -0.00886 0.00684 0.00000 -0.03709 148 4S 0.03472 -0.00993 0.00787 0.00000 -0.05697 149 5S 0.00489 -0.00040 0.00362 0.00000 0.02791 150 6S 0.03691 -0.05254 0.02000 0.00001 -0.03232 151 7PX -0.00016 0.00050 0.01057 0.00000 0.01533 152 7PY 0.01514 -0.00509 0.00080 0.00000 -0.00968 153 7PZ 0.00000 0.00000 0.00000 0.00784 0.00000 154 8PX 0.01818 -0.01892 -0.02552 0.00000 0.02853 155 8PY -0.03545 0.01229 -0.00308 0.00001 -0.07873 156 8PZ 0.00001 0.00000 0.00001 -0.01714 -0.00002 157 9PX -0.04015 0.04161 0.04359 0.00000 -0.08196 158 9PY 0.06071 -0.02154 0.00640 -0.00001 0.18695 159 9PZ -0.00002 0.00000 -0.00001 0.02805 0.00004 160 10PX -0.01525 0.01401 0.04150 0.00000 -0.07333 161 10PY 0.05136 -0.02333 0.00304 -0.00001 0.14446 162 10PZ -0.00002 0.00000 -0.00001 0.02992 0.00003 163 11XX -0.01488 0.00432 -0.00525 0.00000 0.03250 164 11YY -0.01724 0.00856 -0.00500 0.00000 0.00174 165 11ZZ -0.01827 0.00791 -0.00483 0.00000 0.02943 166 11XY 0.00100 -0.00098 -0.00064 0.00000 0.00176 167 11XZ 0.00000 0.00000 0.00000 0.00131 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00028 -0.00001 169 12XX -0.01026 0.00950 -0.00126 0.00000 0.00780 170 12YY -0.00671 0.00606 -0.00527 0.00000 0.01898 171 12ZZ -0.01023 0.00891 -0.00497 0.00000 0.01326 172 12XY 0.00264 -0.00120 0.00054 0.00000 0.00705 173 12XZ 0.00000 0.00000 0.00000 0.00088 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00103 0.00000 11 12 13 14 15 11 4PX 0.12672 12 4PY -0.05277 0.05320 13 4PZ -0.00001 0.00001 0.03634 14 5XX 0.01362 -0.01241 0.00000 0.03283 15 5YY -0.02072 0.01737 0.00000 -0.01435 0.04248 16 5ZZ -0.00083 -0.00093 0.00000 -0.00736 -0.00559 17 5XY -0.03074 0.01206 0.00000 0.00630 0.00044 18 5XZ 0.00000 0.00000 0.01868 0.00000 0.00000 19 5YZ 0.00000 0.00000 -0.00921 0.00000 -0.00001 20 2 Al 1S 0.00417 -0.00181 0.00000 0.00534 0.00224 21 2S -0.01078 0.00284 0.00000 -0.02600 -0.01454 22 2PX -0.00303 0.01132 0.00000 -0.02186 -0.00573 23 2PY 0.00867 0.00907 0.00000 0.02668 -0.01273 24 2PZ 0.00000 0.00000 -0.00349 0.00000 0.00000 25 3S 0.04949 -0.02454 0.00000 0.05639 0.00811 26 3PX 0.03567 -0.02877 0.00000 0.02808 0.00943 27 3PY -0.01653 0.00789 0.00000 -0.03981 0.02075 28 3PZ 0.00000 0.00001 -0.00254 -0.00001 0.00000 29 4S 0.14096 -0.07503 -0.00002 0.01662 0.00045 30 4PX 0.05525 -0.03538 -0.00001 0.00417 0.00360 31 4PY -0.03536 0.01687 0.00001 -0.00316 -0.00127 32 4PZ -0.00001 0.00001 -0.00661 0.00000 0.00000 33 5XX -0.00417 0.00316 0.00000 -0.01214 0.00534 34 5YY -0.00361 0.00127 0.00000 0.00533 -0.01501 35 5ZZ -0.00591 0.00259 0.00000 -0.00396 0.00937 36 5XY 0.00181 0.00042 0.00000 -0.01753 0.01479 37 5XZ 0.00000 0.00000 -0.00345 0.00000 0.00000 38 5YZ 0.00000 0.00000 0.00102 0.00000 0.00000 39 3 Cl 1S 0.00267 -0.00203 0.00459 -0.00224 -0.00492 40 2S -0.01101 0.00840 -0.01887 0.00992 0.02330 41 2PX -0.01097 0.00804 -0.01245 0.03013 0.01260 42 2PY 0.00645 0.00141 0.00566 0.01862 -0.04065 43 2PZ -0.00765 0.00344 -0.00762 -0.02306 0.01154 44 3S 0.01420 -0.01165 0.03180 -0.02617 -0.04199 45 3PX -0.00837 0.00595 0.01978 -0.08136 -0.02816 46 3PY 0.01052 -0.00205 -0.00800 -0.04136 0.09719 47 3PZ 0.01891 -0.01151 0.02991 0.04812 -0.01755 48 4S 0.00481 -0.00078 0.00660 -0.03296 0.00305 49 4PX 0.00973 -0.00855 0.00696 -0.01186 -0.00245 50 4PY -0.00717 -0.00014 -0.00374 -0.01251 0.02002 51 4PZ -0.01006 0.00814 -0.00057 0.00165 0.01251 52 5XX -0.00077 0.00223 -0.00052 -0.00360 0.00101 53 5YY -0.00436 0.00128 -0.00022 -0.00367 0.00385 54 5ZZ 0.00531 -0.00338 0.00361 0.00723 -0.00584 55 5XY -0.00198 0.00166 -0.00029 0.00203 0.00029 56 5XZ -0.00252 0.00176 0.00216 -0.00877 -0.00191 57 5YZ 0.00222 -0.00032 -0.00099 -0.00431 0.00976 58 4 Cl 1S 0.00267 -0.00203 -0.00460 -0.00224 -0.00492 59 2S -0.01101 0.00840 0.01887 0.00993 0.02331 60 2PX -0.01098 0.00804 0.01245 0.03014 0.01261 61 2PY 0.00643 0.00140 -0.00565 0.01861 -0.04064 62 2PZ 0.00766 -0.00345 -0.00762 0.02305 -0.01156 63 3S 0.01422 -0.01166 -0.03180 -0.02618 -0.04200 64 3PX -0.00838 0.00594 -0.01977 -0.08136 -0.02818 65 3PY 0.01052 -0.00203 0.00798 -0.04134 0.09717 66 3PZ -0.01892 0.01152 0.02991 -0.04809 0.01759 67 4S 0.00479 -0.00078 -0.00660 -0.03296 0.00305 68 4PX 0.00972 -0.00855 -0.00696 -0.01186 -0.00246 69 4PY -0.00716 -0.00014 0.00373 -0.01251 0.02001 70 4PZ 0.01006 -0.00813 -0.00057 -0.00165 -0.01250 71 5XX -0.00076 0.00223 0.00052 -0.00359 0.00101 72 5YY -0.00436 0.00128 0.00022 -0.00368 0.00385 73 5ZZ 0.00531 -0.00338 -0.00361 0.00722 -0.00585 74 5XY -0.00199 0.00166 0.00029 0.00203 0.00028 75 5XZ 0.00252 -0.00176 0.00216 0.00878 0.00191 76 5YZ -0.00222 0.00032 -0.00099 0.00430 -0.00976 77 5 Cl 1S 0.00094 0.00633 0.00000 -0.00214 0.00473 78 2S -0.00380 -0.02248 0.00000 0.00904 -0.02064 79 2PX -0.07338 0.00356 0.00000 -0.00461 0.01658 80 2PY 0.00220 -0.01002 0.00000 0.02594 -0.04679 81 2PZ -0.00002 -0.00001 -0.03685 -0.00001 0.00001 82 3S 0.00263 0.01467 0.00000 -0.01684 0.03840 83 3PX 0.25382 -0.02622 -0.00001 0.01065 -0.04047 84 3PY 0.00126 0.02704 0.00001 -0.06590 0.10431 85 3PZ 0.00005 0.00002 0.11379 0.00002 -0.00003 86 4S -0.00647 0.01952 0.00000 -0.00481 0.01600 87 4PX 0.12482 -0.00948 -0.00001 0.00391 -0.02067 88 4PY 0.00271 0.01353 0.00001 -0.02831 0.04683 89 4PZ 0.00003 0.00001 0.05871 0.00001 -0.00002 90 5XX -0.00177 -0.00062 0.00000 0.00137 -0.00186 91 5YY 0.00133 0.00047 0.00000 -0.00312 0.00417 92 5ZZ 0.00079 -0.00055 0.00000 0.00098 -0.00212 93 5XY 0.00805 -0.00225 0.00000 0.00130 -0.00209 94 5XZ 0.00000 0.00000 -0.00046 0.00000 0.00000 95 5YZ 0.00000 0.00000 0.00350 0.00000 0.00000 96 6 Cl 1S 0.00111 0.00289 0.00000 0.00070 -0.00056 97 2S -0.00311 -0.01096 0.00000 -0.00308 0.00289 98 2PX -0.00995 0.00528 0.00000 -0.00661 0.00158 99 2PY -0.00303 0.00069 0.00000 0.00257 -0.00789 100 2PZ 0.00001 0.00000 0.00442 0.00000 0.00000 101 3S -0.00011 0.00901 0.00000 0.00503 -0.00587 102 3PX 0.05789 -0.02823 -0.00001 0.01595 -0.00549 103 3PY 0.00787 -0.00188 0.00000 -0.00564 0.02269 104 3PZ -0.00002 0.00000 -0.01542 0.00000 0.00000 105 4S 0.00694 -0.00031 0.00000 0.00720 -0.00961 106 4PX 0.02904 -0.01362 -0.00001 0.01003 -0.00715 107 4PY 0.00170 0.00115 0.00000 -0.00618 0.01614 108 4PZ -0.00001 0.00000 -0.00834 0.00000 0.00000 109 5XX 0.00007 0.00003 0.00000 -0.00035 0.00059 110 5YY -0.00073 0.00045 0.00000 -0.00003 -0.00013 111 5ZZ -0.00013 0.00001 0.00000 -0.00027 0.00048 112 5XY -0.00156 0.00097 0.00000 -0.00026 -0.00051 113 5XZ 0.00000 0.00000 0.00002 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00016 0.00000 0.00000 115 7 Br 1S -0.02868 -0.02276 0.00000 -0.00119 0.00045 116 2S 0.13928 0.10952 0.00000 0.00826 -0.00281 117 3S -0.09777 -0.07487 0.00000 -0.01025 0.00317 118 4S -0.14631 -0.11222 0.00000 -0.01890 0.00527 119 5S 0.02312 0.00217 0.00000 0.01714 -0.00498 120 6S -0.05236 -0.01871 0.00000 0.01433 -0.00113 121 7PX 0.00936 0.00444 0.00000 -0.00493 -0.00547 122 7PY 0.00316 0.00942 0.00000 -0.00913 0.00817 123 7PZ 0.00000 0.00000 0.01041 0.00000 0.00000 124 8PX -0.04935 0.03856 0.00000 0.01115 0.01290 125 8PY 0.06419 -0.07135 0.00000 0.02600 -0.02787 126 8PZ 0.00003 0.00000 -0.05915 0.00000 0.00000 127 9PX 0.09836 -0.09010 0.00000 -0.01866 -0.02184 128 9PY -0.14638 0.14690 0.00001 -0.04655 0.05169 129 9PZ -0.00006 0.00000 0.11784 0.00000 0.00000 130 10PX 0.08453 -0.06683 0.00000 -0.01792 -0.01553 131 10PY -0.11146 0.12304 0.00000 -0.03731 0.04324 132 10PZ -0.00005 0.00000 0.09872 0.00000 0.00000 133 11XX 0.06747 0.03816 0.00000 0.00491 -0.00197 134 11YY 0.04819 0.05522 0.00000 0.00389 -0.00101 135 11ZZ 0.06066 0.04350 0.00000 0.00460 -0.00153 136 11XY -0.00215 0.00229 0.00000 -0.00069 0.00151 137 11XZ 0.00000 0.00000 0.00397 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00323 0.00000 0.00000 139 12XX 0.02002 0.02135 0.00000 0.00199 0.00029 140 12YY 0.03210 0.01094 0.00000 0.00130 -0.00205 141 12ZZ 0.02624 0.01436 0.00000 0.00069 -0.00134 142 12XY 0.00602 -0.00478 0.00000 0.00178 -0.00190 143 12XZ 0.00000 0.00000 -0.00555 0.00000 0.00000 144 12YZ 0.00000 0.00000 -0.00271 0.00000 0.00000 145 8 Br 1S -0.00404 -0.01604 0.00000 0.00123 0.00018 146 2S 0.01856 0.07762 0.00000 -0.00590 -0.00070 147 3S -0.01092 -0.05377 0.00000 0.00397 0.00018 148 4S -0.01515 -0.08082 0.00000 0.00638 0.00018 149 5S -0.00891 0.00649 0.00000 -0.00031 0.00139 150 6S -0.00053 -0.01589 0.00000 -0.00300 -0.00064 151 7PX -0.00857 -0.00195 0.00000 -0.00209 0.00332 152 7PY 0.00471 -0.00304 0.00000 -0.00099 -0.00196 153 7PZ 0.00000 0.00000 -0.00074 0.00000 0.00000 154 8PX -0.00773 0.00654 0.00000 0.01225 -0.00961 155 8PY 0.01861 -0.01765 0.00000 0.00419 0.00576 156 8PZ 0.00000 -0.00001 0.00770 0.00000 0.00000 157 9PX 0.02729 -0.01250 0.00000 -0.02473 0.01752 158 9PY -0.04742 0.04280 0.00001 -0.00824 -0.01016 159 9PZ -0.00001 0.00001 -0.01620 0.00000 0.00000 160 10PX 0.02353 -0.01461 0.00000 -0.02168 0.01351 161 10PY -0.03697 0.03214 0.00001 -0.00447 -0.00916 162 10PZ -0.00001 0.00001 -0.01384 0.00000 0.00000 163 11XX 0.00383 0.03401 0.00000 -0.00185 -0.00058 164 11YY 0.01569 0.03097 0.00000 -0.00260 -0.00001 165 11ZZ 0.00272 0.03273 0.00000 -0.00281 -0.00003 166 11XY -0.00230 -0.00048 0.00000 0.00005 -0.00021 167 11XZ 0.00000 0.00000 -0.00010 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00135 0.00000 0.00000 169 12XX 0.00311 0.01157 0.00000 -0.00121 0.00143 170 12YY -0.00012 0.01308 0.00000 0.00002 -0.00061 171 12ZZ 0.00102 0.01199 0.00000 -0.00026 0.00024 172 12XY -0.00127 0.00175 0.00000 0.00000 -0.00033 173 12XZ 0.00000 0.00000 -0.00033 0.00000 0.00000 174 12YZ 0.00000 0.00000 -0.00016 0.00000 0.00000 16 17 18 19 20 16 5ZZ 0.01890 17 5XY 0.00370 0.03144 18 5XZ 0.00000 0.00000 0.03555 19 5YZ 0.00000 0.00000 -0.00825 0.02507 20 2 Al 1S -0.00428 -0.00263 0.00000 0.00000 2.12971 21 2S 0.01897 0.00971 0.00000 0.00000 -0.53904 22 2PX 0.02784 0.02860 0.00001 -0.00001 -0.00643 23 2PY -0.01403 -0.00148 0.00000 0.00000 0.00331 24 2PZ 0.00000 0.00000 -0.00005 0.00011 0.00000 25 3S -0.04445 -0.04060 -0.00001 0.00000 -0.04572 26 3PX -0.04514 -0.04111 -0.00001 0.00001 0.00455 27 3PY 0.02230 -0.00141 0.00001 0.00000 -0.00210 28 3PZ 0.00001 0.00000 0.00337 -0.00201 0.00000 29 4S 0.00195 -0.01474 0.00000 0.00000 0.01651 30 4PX 0.00591 -0.00181 0.00000 0.00000 0.00221 31 4PY -0.00259 -0.00042 0.00000 0.00000 -0.00148 32 4PZ 0.00000 0.00000 0.00345 -0.00102 0.00000 33 5XX -0.00397 -0.01753 0.00000 0.00000 0.02933 34 5YY 0.00938 0.01479 0.00000 0.00000 0.02904 35 5ZZ 0.00256 0.01082 0.00000 0.00000 0.03044 36 5XY 0.01082 0.00097 0.00000 0.00000 -0.00092 37 5XZ 0.00001 0.00000 -0.00730 0.00814 0.00000 38 5YZ 0.00000 0.00000 0.00814 0.00436 0.00000 39 3 Cl 1S 0.00230 -0.00221 0.00847 -0.00441 0.00191 40 2S -0.00920 0.01101 -0.03912 0.02035 -0.00934 41 2PX -0.01818 0.01986 -0.02660 0.03253 0.01154 42 2PY 0.00945 0.01761 0.03231 0.01941 -0.00595 43 2PZ 0.02597 0.02868 -0.04469 0.02311 -0.00849 44 3S 0.02198 -0.01318 0.06806 -0.03535 0.01444 45 3PX 0.03533 -0.03984 0.04814 -0.07017 -0.02992 46 3PY -0.01842 -0.04743 -0.06986 -0.05127 0.01544 47 3PZ -0.06383 -0.05456 0.09783 -0.05055 0.02030 48 4S 0.04175 0.02949 -0.01220 0.00596 -0.00203 49 4PX 0.00714 -0.01079 -0.00016 -0.01830 -0.00617 50 4PY -0.00400 -0.00909 -0.01823 -0.02567 0.00314 51 4PZ -0.00335 0.00882 0.02158 -0.01132 0.00165 52 5XX 0.00404 0.00583 0.00155 -0.00192 -0.00043 53 5YY 0.00305 0.00392 -0.00018 0.00118 -0.00060 54 5ZZ -0.00867 -0.01085 0.00570 -0.00298 0.00276 55 5XY -0.00049 0.00050 -0.00255 0.00040 -0.00004 56 5XZ 0.00219 -0.00340 0.00408 -0.00460 -0.00267 57 5YZ -0.00112 -0.00551 -0.00457 -0.00240 0.00138 58 4 Cl 1S 0.00230 -0.00221 -0.00847 0.00441 0.00191 59 2S -0.00921 0.01100 0.03911 -0.02035 -0.00934 60 2PX -0.01819 0.01985 0.02660 -0.03252 0.01154 61 2PY 0.00945 0.01762 -0.03230 -0.01942 -0.00595 62 2PZ -0.02595 -0.02867 -0.04471 0.02312 0.00849 63 3S 0.02200 -0.01317 -0.06805 0.03535 0.01445 64 3PX 0.03535 -0.03982 -0.04812 0.07016 -0.02992 65 3PY -0.01842 -0.04744 0.06984 0.05129 0.01544 66 3PZ 0.06378 0.05453 0.09787 -0.05056 -0.02030 67 4S 0.04174 0.02949 0.01222 -0.00597 -0.00203 68 4PX 0.00715 -0.01078 0.00016 0.01830 -0.00617 69 4PY -0.00400 -0.00909 0.01823 0.02568 0.00314 70 4PZ 0.00334 -0.00883 0.02158 -0.01132 -0.00165 71 5XX 0.00404 0.00583 -0.00155 0.00191 -0.00043 72 5YY 0.00305 0.00392 0.00019 -0.00119 -0.00060 73 5ZZ -0.00867 -0.01085 -0.00571 0.00298 0.00275 74 5XY -0.00049 0.00050 0.00255 -0.00039 -0.00004 75 5XZ -0.00219 0.00339 0.00408 -0.00460 0.00267 76 5YZ 0.00112 0.00552 -0.00457 -0.00240 -0.00138 77 5 Cl 1S -0.00194 -0.00080 0.00000 0.00000 0.00008 78 2S 0.00844 0.00370 0.00000 0.00001 -0.00040 79 2PX -0.00349 0.03009 -0.00001 0.00000 -0.00035 80 2PY 0.01688 0.00422 -0.00001 0.00002 -0.00121 81 2PZ -0.00001 0.00000 -0.00668 0.03085 0.00000 82 3S -0.01477 -0.00890 0.00000 -0.00001 0.00063 83 3PX 0.00674 -0.07591 0.00001 0.00000 0.00092 84 3PY -0.04317 -0.01167 0.00001 -0.00005 0.00306 85 3PZ 0.00003 -0.00001 0.01714 -0.07783 0.00000 86 4S -0.00581 -0.00716 0.00000 0.00000 0.00133 87 4PX 0.00430 -0.03789 0.00001 0.00000 -0.00005 88 4PY -0.01943 -0.01111 0.00001 -0.00002 0.00246 89 4PZ 0.00002 0.00000 0.00984 -0.04411 0.00000 90 5XX 0.00104 0.00092 0.00000 0.00000 -0.00009 91 5YY -0.00250 0.00004 0.00000 0.00000 0.00003 92 5ZZ 0.00135 -0.00012 0.00000 0.00000 -0.00011 93 5XY 0.00036 -0.00201 0.00000 0.00000 0.00016 94 5XZ 0.00000 0.00000 0.00032 0.00072 0.00000 95 5YZ 0.00000 0.00000 0.00017 -0.00242 0.00000 96 6 Cl 1S 0.00012 -0.00018 0.00000 0.00000 0.00020 97 2S -0.00034 0.00073 0.00000 0.00000 -0.00100 98 2PX -0.00518 -0.00551 0.00000 0.00000 -0.00021 99 2PY 0.00909 0.00538 0.00000 0.00000 0.00773 100 2PZ 0.00000 0.00000 0.00469 0.00583 0.00000 101 3S -0.00028 -0.00049 0.00000 0.00000 0.00114 102 3PX 0.01318 0.01481 0.00000 0.00000 0.00047 103 3PY -0.02246 -0.01576 0.00000 0.00000 -0.01934 104 3PZ -0.00001 0.00000 -0.01122 -0.01621 0.00000 105 4S -0.00209 -0.00073 0.00000 0.00000 0.00110 106 4PX 0.00705 0.00837 0.00000 0.00000 -0.00025 107 4PY -0.00872 -0.00647 0.00000 0.00000 -0.01008 108 4PZ 0.00000 0.00000 -0.00848 -0.00984 0.00000 109 5XX -0.00012 -0.00007 0.00000 0.00000 -0.00079 110 5YY 0.00095 0.00045 0.00000 0.00000 0.00097 111 5ZZ -0.00022 -0.00001 0.00000 0.00000 -0.00081 112 5XY -0.00029 -0.00034 0.00000 0.00000 -0.00015 113 5XZ 0.00000 0.00000 0.00018 0.00008 0.00000 114 5YZ 0.00000 0.00000 -0.00043 0.00027 0.00000 115 7 Br 1S -0.00015 0.00002 0.00000 0.00000 0.00003 116 2S -0.00097 0.00270 0.00000 0.00000 -0.00015 117 3S 0.00384 -0.00694 0.00000 0.00000 0.00011 118 4S 0.00755 -0.01403 0.00000 0.00000 -0.00008 119 5S -0.00960 0.01921 0.00000 0.00000 0.00020 120 6S -0.00707 0.00844 0.00000 0.00000 0.00179 121 7PX 0.00551 -0.01655 0.00000 0.00000 -0.00036 122 7PY 0.00093 -0.00238 0.00000 0.00000 -0.00045 123 7PZ 0.00000 0.00000 0.01007 0.00342 0.00000 124 8PX -0.01561 0.04584 0.00000 0.00000 0.00101 125 8PY -0.00629 0.00482 0.00000 0.00000 0.00132 126 8PZ 0.00000 0.00000 -0.03144 -0.01185 0.00000 127 9PX 0.02709 -0.08087 0.00001 0.00000 -0.00174 128 9PY 0.01239 -0.00761 0.00001 0.00000 -0.00240 129 9PZ -0.00001 0.00000 0.05671 0.02142 0.00000 130 10PX 0.02201 -0.05949 0.00001 0.00000 -0.00241 131 10PY 0.00853 -0.00313 0.00001 0.00000 -0.00209 132 10PZ -0.00001 0.00000 0.05012 0.01902 0.00000 133 11XX -0.00023 0.00004 0.00000 0.00000 -0.00015 134 11YY -0.00067 0.00343 0.00000 0.00000 -0.00023 135 11ZZ -0.00254 0.00322 0.00000 0.00000 -0.00017 136 11XY 0.00176 -0.00150 0.00000 0.00000 -0.00003 137 11XZ 0.00000 0.00000 0.00105 0.00160 0.00000 138 11YZ 0.00000 0.00000 0.00053 0.00041 0.00000 139 12XX -0.00258 0.00578 0.00000 0.00000 -0.00023 140 12YY -0.00022 -0.00094 0.00000 0.00000 -0.00021 141 12ZZ 0.00090 0.00010 0.00000 0.00000 -0.00040 142 12XY -0.00179 0.00111 0.00000 0.00000 0.00023 143 12XZ 0.00000 0.00000 -0.00329 -0.00131 0.00000 144 12YZ 0.00000 0.00000 -0.00152 0.00024 0.00000 145 8 Br 1S 0.00068 -0.00008 0.00000 0.00000 -0.00005 146 2S -0.00316 -0.00031 0.00000 0.00000 0.00042 147 3S 0.00197 0.00149 0.00000 0.00000 -0.00054 148 4S 0.00283 0.00342 0.00000 0.00000 -0.00120 149 5S 0.00130 -0.00104 0.00000 0.00000 -0.00074 150 6S -0.00238 -0.01554 0.00000 0.00000 0.00273 151 7PX 0.00481 -0.00186 0.00000 0.00000 0.00239 152 7PY 0.00108 -0.00023 0.00000 0.00000 0.00166 153 7PZ 0.00000 0.00000 0.00013 0.00295 0.00000 154 8PX -0.01289 0.00525 0.00000 0.00000 -0.00750 155 8PY -0.00249 0.00013 0.00000 0.00000 -0.00522 156 8PZ 0.00000 0.00000 -0.00287 -0.00901 0.00000 157 9PX 0.02298 -0.00930 0.00000 0.00000 0.01325 158 9PY 0.00421 -0.00026 0.00000 0.00000 0.00923 159 9PZ 0.00000 0.00000 0.00609 0.01610 0.00000 160 10PX 0.01632 -0.01425 0.00000 0.00000 0.01123 161 10PY 0.00167 -0.00055 0.00000 0.00000 0.00837 162 10PZ 0.00000 0.00000 0.00457 0.01627 0.00000 163 11XX -0.00153 -0.00048 0.00000 0.00000 -0.00018 164 11YY -0.00124 -0.00029 0.00000 0.00000 0.00048 165 11ZZ -0.00110 -0.00047 0.00000 0.00000 0.00075 166 11XY -0.00019 0.00019 0.00000 0.00000 -0.00059 167 11XZ 0.00000 0.00000 -0.00056 0.00017 0.00000 168 11YZ 0.00000 0.00000 -0.00009 0.00001 0.00000 169 12XX 0.00066 0.00070 0.00000 0.00000 0.00092 170 12YY -0.00031 0.00181 0.00000 0.00000 -0.00049 171 12ZZ -0.00019 0.00203 0.00000 0.00000 -0.00135 172 12XY 0.00012 -0.00047 0.00000 0.00000 0.00160 173 12XZ 0.00000 0.00000 0.00058 0.00033 0.00000 174 12YZ 0.00000 0.00000 0.00027 0.00040 0.00000 21 22 23 24 25 21 2S 2.23905 22 2PX 0.03392 2.03263 23 2PY -0.01804 -0.01064 2.01751 24 2PZ 0.00000 0.00000 0.00000 2.05250 25 3S -0.09437 -0.02064 0.00849 -0.00001 0.71719 26 3PX -0.01749 -0.05937 0.00997 -0.00001 0.09750 27 3PY 0.00920 0.01089 -0.04521 0.00000 -0.03967 28 3PZ -0.00001 -0.00001 0.00000 -0.06674 0.00000 29 4S -0.04239 0.00893 -0.00105 0.00000 0.02480 30 4PX -0.00710 -0.01031 -0.00613 0.00000 -0.02015 31 4PY 0.00683 -0.00762 -0.01115 0.00000 0.00556 32 4PZ 0.00000 0.00000 0.00000 0.00014 0.00000 33 5XX -0.03416 -0.00804 0.00741 0.00000 -0.02838 34 5YY -0.03699 0.00268 -0.00596 0.00000 -0.05567 35 5ZZ -0.04306 -0.02029 0.01165 0.00001 -0.04658 36 5XY 0.00047 0.00969 -0.00309 0.00000 -0.02963 37 5XZ 0.00000 0.00000 0.00000 -0.03240 0.00000 38 5YZ 0.00000 0.00000 0.00000 0.01615 0.00000 39 3 Cl 1S -0.00903 -0.00657 0.00328 0.01142 0.01673 40 2S 0.04337 0.03148 -0.01593 -0.05265 -0.08201 41 2PX -0.05742 -0.01614 0.02410 0.05183 0.13220 42 2PY 0.02952 0.02391 0.01841 -0.02656 -0.06858 43 2PZ 0.03065 0.03673 -0.01891 -0.03763 -0.14949 44 3S -0.07117 -0.06181 0.03029 0.11315 0.12158 45 3PX 0.15246 0.04941 -0.06598 -0.13991 -0.30570 46 3PY -0.07853 -0.06555 -0.04557 0.07169 0.15769 47 3PZ -0.08811 -0.09376 0.04815 0.10956 0.26846 48 4S 0.01665 0.03813 -0.01835 0.03300 -0.12317 49 4PX 0.02343 0.01342 -0.01860 -0.03704 -0.02493 50 4PY -0.01218 -0.01844 -0.01387 0.01906 0.01363 51 4PZ -0.00728 0.00142 0.00091 0.05096 -0.01158 52 5XX 0.00175 0.01168 -0.00357 -0.00222 -0.00651 53 5YY 0.00349 0.00366 -0.00407 0.00109 -0.01550 54 5ZZ -0.00946 -0.01279 0.00605 0.00152 0.03832 55 5XY 0.00055 -0.00376 0.00378 0.00273 -0.00752 56 5XZ 0.01336 -0.00492 -0.00133 0.00193 -0.03690 57 5YZ -0.00688 -0.00131 -0.00703 -0.00103 0.01911 58 4 Cl 1S -0.00903 -0.00657 0.00329 -0.01142 0.01673 59 2S 0.04338 0.03148 -0.01594 0.05265 -0.08201 60 2PX -0.05742 -0.01614 0.02411 -0.05183 0.13222 61 2PY 0.02953 0.02392 0.01841 0.02656 -0.06861 62 2PZ -0.03064 -0.03673 0.01892 -0.03761 0.14948 63 3S -0.07118 -0.06182 0.03031 -0.11314 0.12159 64 3PX 0.15248 0.04943 -0.06601 0.13991 -0.30575 65 3PY -0.07855 -0.06558 -0.04556 -0.07171 0.15774 66 3PZ 0.08810 0.09376 -0.04818 0.10952 -0.26843 67 4S 0.01666 0.03813 -0.01835 -0.03300 -0.12318 68 4PX 0.02343 0.01343 -0.01861 0.03704 -0.02494 69 4PY -0.01218 -0.01845 -0.01387 -0.01907 0.01363 70 4PZ 0.00728 -0.00141 -0.00092 0.05095 0.01157 71 5XX 0.00175 0.01168 -0.00357 0.00221 -0.00650 72 5YY 0.00349 0.00366 -0.00407 -0.00109 -0.01549 73 5ZZ -0.00946 -0.01279 0.00606 -0.00152 0.03830 74 5XY 0.00055 -0.00376 0.00378 -0.00273 -0.00753 75 5XZ -0.01336 0.00492 0.00133 0.00192 0.03690 76 5YZ 0.00688 0.00131 0.00703 -0.00103 -0.01913 77 5 Cl 1S 0.00014 -0.00057 -0.00007 0.00000 0.00327 78 2S -0.00007 0.00250 0.00015 0.00000 -0.01354 79 2PX -0.00298 -0.00087 -0.00563 0.00000 -0.02848 80 2PY 0.00768 0.00346 0.00526 0.00000 -0.00577 81 2PZ 0.00000 0.00000 0.00000 0.00621 -0.00002 82 3S -0.00045 -0.00522 -0.00119 0.00000 0.01694 83 3PX 0.00798 0.00200 0.01452 0.00000 0.07397 84 3PY -0.02187 -0.00910 -0.01336 -0.00001 0.00627 85 3PZ 0.00000 0.00000 0.00000 -0.01599 0.00005 86 4S -0.00557 -0.00550 0.00564 0.00000 0.02172 87 4PX 0.00670 0.00112 0.00876 0.00000 0.03036 88 4PY -0.01391 -0.01049 -0.00515 -0.00001 0.01570 89 4PZ 0.00000 0.00000 0.00000 -0.01069 0.00003 90 5XX 0.00029 0.00002 0.00016 0.00000 -0.00111 91 5YY -0.00060 -0.00006 -0.00046 0.00000 -0.00062 92 5ZZ 0.00068 0.00024 0.00002 0.00000 -0.00111 93 5XY -0.00008 -0.00045 0.00071 0.00000 0.00315 94 5XZ 0.00000 0.00000 0.00000 -0.00016 0.00000 95 5YZ 0.00000 0.00000 0.00000 0.00046 0.00000 96 6 Cl 1S -0.00090 0.00076 -0.00338 0.00000 -0.00027 97 2S 0.00440 -0.00345 0.01514 0.00000 0.00166 98 2PX 0.00463 0.00871 0.00944 0.00000 0.01758 99 2PY -0.03808 0.01556 -0.05225 -0.00001 0.08404 100 2PZ 0.00000 0.00000 -0.00001 0.00963 0.00001 101 3S -0.00359 0.00535 -0.02748 0.00000 -0.01490 102 3PX -0.01148 -0.02169 -0.02363 0.00000 -0.04777 103 3PY 0.09493 -0.03943 0.13153 0.00001 -0.22229 104 3PZ 0.00001 0.00000 0.00002 -0.02412 -0.00003 105 4S 0.00421 0.00183 -0.00209 0.00000 -0.03276 106 4PX -0.00351 -0.01110 -0.01081 0.00000 -0.02794 107 4PY 0.03952 -0.01745 0.06070 0.00001 -0.08439 108 4PZ 0.00001 0.00000 0.00001 -0.01057 -0.00001 109 5XX 0.00286 -0.00143 0.00228 0.00000 -0.00640 110 5YY -0.00717 0.00331 -0.00691 0.00000 0.01950 111 5ZZ 0.00306 -0.00095 0.00291 0.00000 -0.00611 112 5XY 0.00146 0.00204 0.00316 0.00000 -0.00088 113 5XZ 0.00000 0.00000 0.00000 -0.00053 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00231 0.00000 115 7 Br 1S 0.00184 -0.00008 -0.00009 0.00000 0.00919 116 2S -0.00894 -0.00002 0.00097 0.00000 -0.04221 117 3S 0.00624 0.00084 -0.00166 0.00000 0.02520 118 4S 0.00941 0.00128 -0.00287 0.00000 0.03472 119 5S 0.00116 0.00163 0.00410 0.00000 0.00490 120 6S -0.00406 -0.01409 -0.00069 0.00000 0.03690 121 7PX 0.00238 -0.00136 -0.00296 0.00000 0.00014 122 7PY 0.00024 0.00074 -0.00006 0.00000 -0.01514 123 7PZ 0.00000 0.00000 0.00000 -0.00254 0.00000 124 8PX -0.01101 0.00519 0.00887 0.00000 -0.01814 125 8PY -0.00277 -0.00228 0.00039 0.00000 0.03545 126 8PZ 0.00000 0.00000 0.00000 0.00757 0.00001 127 9PX 0.02124 -0.00943 -0.01603 0.00000 0.04009 128 9PY 0.00603 0.00413 -0.00087 0.00000 -0.06073 129 9PZ 0.00000 0.00000 0.00000 -0.01370 -0.00002 130 10PX 0.02048 -0.00317 -0.01615 0.00000 0.01519 131 10PY 0.00428 0.00771 -0.00136 0.00000 -0.05137 132 10PZ 0.00000 0.00000 0.00000 -0.01361 -0.00002 133 11XX -0.00349 -0.00083 0.00063 0.00000 -0.01488 134 11YY -0.00363 0.00012 0.00070 0.00000 -0.01724 135 11ZZ -0.00429 -0.00016 0.00081 0.00000 -0.01827 136 11XY 0.00040 -0.00021 -0.00015 0.00000 0.00100 137 11XZ 0.00000 0.00000 0.00000 0.00040 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00010 0.00000 139 12XX -0.00212 0.00178 0.00186 0.00000 -0.01025 140 12YY -0.00040 -0.00036 0.00013 0.00000 -0.00671 141 12ZZ 0.00019 0.00135 0.00017 0.00000 -0.01023 142 12XY -0.00081 -0.00114 0.00026 0.00000 0.00264 143 12XZ 0.00000 0.00000 0.00000 0.00008 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00040 0.00000 145 8 Br 1S 0.00092 -0.00126 -0.00067 0.00000 0.00422 146 2S -0.00504 0.00904 0.00425 0.00000 -0.02059 147 3S 0.00452 -0.01169 -0.00467 0.00000 0.01400 148 4S 0.00727 -0.01962 -0.00900 0.00000 0.02659 149 5S -0.00271 0.02320 0.00961 0.00000 -0.00337 150 6S 0.00794 -0.01409 -0.00411 0.00000 -0.05146 151 7PX -0.01280 0.01696 0.00786 0.00000 0.01763 152 7PY -0.00666 0.01072 0.00030 0.00000 0.02437 153 7PZ 0.00000 0.00000 0.00000 -0.00329 0.00001 154 8PX 0.04086 -0.05123 -0.02434 0.00000 -0.06338 155 8PY 0.02185 -0.03270 -0.00050 0.00000 -0.08020 156 8PZ 0.00001 -0.00001 0.00000 0.01035 -0.00003 157 9PX -0.07240 0.09240 0.04338 0.00001 0.11278 158 9PY -0.03889 0.05887 0.00131 0.00001 0.14486 159 9PZ -0.00001 0.00002 0.00001 -0.01846 0.00005 160 10PX -0.05195 0.06870 0.03367 0.00001 0.07259 161 10PY -0.02967 0.04482 -0.00114 0.00000 0.10827 162 10PZ -0.00001 0.00002 0.00001 -0.01353 0.00004 163 11XX 0.00031 0.00388 0.00057 0.00000 -0.01702 164 11YY -0.00298 0.00539 0.00322 0.00000 -0.00624 165 11ZZ -0.00429 0.00631 0.00242 0.00000 -0.00149 166 11XY 0.00274 -0.00169 0.00038 0.00000 -0.01094 167 11XZ 0.00000 0.00000 0.00000 0.00110 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00051 0.00000 169 12XX -0.00853 0.01294 0.00608 0.00000 0.01638 170 12YY -0.00096 0.00501 -0.00164 0.00000 0.00580 171 12ZZ 0.00239 0.00202 0.00010 0.00000 -0.00392 172 12XY -0.00700 0.00680 -0.00060 0.00000 0.01758 173 12XZ 0.00000 0.00000 0.00000 -0.00210 0.00001 174 12YZ 0.00000 0.00000 0.00000 -0.00101 0.00000 26 27 28 29 30 26 3PX 0.34709 27 3PY -0.02039 0.32171 28 3PZ 0.00001 0.00001 0.27187 29 4S 0.03570 -0.02525 0.00000 0.30095 30 4PX 0.02387 0.00446 0.00001 0.16775 0.12672 31 4PY 0.00578 0.00846 0.00000 -0.10095 -0.05275 32 4PZ 0.00000 0.00000 0.00428 -0.00003 -0.00001 33 5XX 0.00986 -0.00827 0.00000 -0.02094 -0.01362 34 5YY -0.05312 0.03229 0.00001 0.01839 0.02072 35 5ZZ 0.00044 -0.00434 -0.00001 0.00133 0.00083 36 5XY -0.04936 0.02517 -0.00001 0.03776 0.03074 37 5XZ -0.00001 -0.00001 0.07098 0.00001 0.00001 38 5YZ -0.00001 0.00001 -0.03519 0.00000 0.00000 39 3 Cl 1S 0.01059 -0.00516 -0.01926 -0.00608 -0.00267 40 2S -0.05099 0.02507 0.08867 0.02490 0.01101 41 2PX 0.05205 -0.06149 -0.12264 -0.02479 -0.01098 42 2PY -0.06099 -0.03648 0.06265 0.00671 0.00643 43 2PZ -0.10480 0.05363 0.08382 -0.00139 0.00766 44 3S 0.07534 -0.03476 -0.15275 -0.03204 -0.01422 45 3PX -0.10153 0.13675 0.26664 -0.05050 -0.00836 46 3PY 0.13527 0.09671 -0.13633 0.03929 0.01054 47 3PZ 0.18816 -0.09598 -0.18146 -0.01573 -0.01893 48 4S -0.12498 0.06379 0.03845 -0.00076 -0.00478 49 4PX -0.01852 0.01397 0.02020 0.01755 0.00973 50 4PY 0.01416 0.00235 -0.01033 -0.00403 -0.00716 51 4PZ -0.03220 0.01333 -0.04701 0.01304 0.01006 52 5XX -0.02684 -0.00130 -0.00702 0.00245 0.00076 53 5YY -0.00806 0.01837 0.00102 0.00222 0.00436 54 5ZZ 0.03946 -0.01906 -0.00765 -0.00558 -0.00531 55 5XY -0.00064 -0.01172 0.00649 0.00165 0.00198 56 5XZ -0.00611 0.01504 0.01947 -0.00800 -0.00252 57 5YZ 0.01515 0.01623 -0.00994 0.00522 0.00222 58 4 Cl 1S 0.01060 -0.00516 0.01926 -0.00608 -0.00267 59 2S -0.05099 0.02509 -0.08867 0.02490 0.01101 60 2PX 0.05207 -0.06152 0.12264 -0.02480 -0.01098 61 2PY -0.06102 -0.03647 -0.06267 0.00666 0.00642 62 2PZ 0.10480 -0.05364 0.08378 0.00141 -0.00765 63 3S 0.07534 -0.03480 0.15273 -0.03202 -0.01421 64 3PX -0.10157 0.13682 -0.26664 -0.05051 -0.00837 65 3PY 0.13533 0.09670 0.13637 0.03932 0.01054 66 3PZ -0.18815 0.09602 -0.18139 0.01571 0.01892 67 4S -0.12500 0.06380 -0.03843 -0.00079 -0.00479 68 4PX -0.01852 0.01398 -0.02019 0.01755 0.00973 69 4PY 0.01416 0.00236 0.01033 -0.00401 -0.00716 70 4PZ 0.03219 -0.01333 -0.04701 -0.01303 -0.01006 71 5XX -0.02683 -0.00130 0.00703 0.00245 0.00076 72 5YY -0.00805 0.01838 -0.00101 0.00223 0.00436 73 5ZZ 0.03945 -0.01906 0.00764 -0.00558 -0.00531 74 5XY -0.00064 -0.01172 -0.00649 0.00165 0.00198 75 5XZ 0.00612 -0.01504 0.01947 0.00800 0.00252 76 5YZ -0.01516 -0.01622 -0.00995 -0.00522 -0.00222 77 5 Cl 1S 0.00288 -0.00096 0.00000 0.00136 -0.00111 78 2S -0.01228 0.00425 0.00000 -0.00741 0.00311 79 2PX -0.00075 0.01860 0.00000 -0.03759 -0.00995 80 2PY -0.01217 -0.01438 -0.00001 -0.01161 -0.00303 81 2PZ -0.00001 0.00000 -0.01420 -0.00002 -0.00001 82 3S 0.01752 -0.00553 0.00000 0.00992 0.00011 83 3PX 0.00771 -0.04977 0.00001 0.18332 0.05791 84 3PY 0.02570 0.04246 0.00003 0.03166 0.00787 85 3PZ 0.00002 0.00000 0.03224 0.00005 0.00001 86 4S 0.02011 -0.01273 0.00001 -0.01186 -0.00695 87 4PX -0.00211 -0.02438 0.00001 0.08873 0.02905 88 4PY 0.02395 0.01237 0.00002 0.01123 0.00170 89 4PZ 0.00001 0.00000 0.02322 0.00003 0.00001 90 5XX -0.00075 -0.00028 0.00000 -0.00123 -0.00007 91 5YY -0.00016 0.00228 0.00000 0.00293 0.00073 92 5ZZ -0.00124 -0.00002 0.00000 -0.00001 0.00013 93 5XY 0.00074 -0.00205 0.00000 0.00609 0.00156 94 5XZ 0.00000 0.00000 0.00024 0.00000 0.00000 95 5YZ 0.00000 0.00000 -0.00040 0.00000 0.00000 96 6 Cl 1S -0.00098 0.00499 0.00000 -0.00714 -0.00094 97 2S 0.00401 -0.02101 0.00000 0.02831 0.00379 98 2PX -0.02606 -0.03028 0.00000 -0.06569 -0.07338 99 2PY -0.04159 0.15000 0.00002 -0.00650 0.00220 100 2PZ 0.00000 0.00002 -0.03495 0.00002 0.00000 101 3S -0.00385 0.04057 0.00000 -0.02892 -0.00262 102 3PX 0.06931 0.07561 0.00000 0.26381 0.25380 103 3PY 0.10313 -0.37500 -0.00005 0.01076 0.00127 104 3PZ 0.00000 -0.00006 0.08926 -0.00007 -0.00001 105 4S 0.00476 -0.04335 0.00000 0.00483 0.00647 106 4PX 0.02878 0.02716 0.00000 0.12898 0.12482 107 4PY 0.03816 -0.14137 -0.00002 0.00582 0.00272 108 4PZ 0.00000 -0.00002 0.03864 -0.00004 -0.00001 109 5XX 0.00260 -0.00496 0.00000 0.00159 0.00178 110 5YY -0.00693 0.02091 0.00000 -0.00236 -0.00133 111 5ZZ 0.00197 -0.00610 0.00000 -0.00066 -0.00079 112 5XY -0.00396 -0.00730 0.00000 -0.00882 -0.00805 113 5XZ 0.00000 0.00000 0.00112 0.00000 0.00000 114 5YZ 0.00000 0.00000 -0.00402 0.00000 0.00000 115 7 Br 1S 0.00431 -0.00291 0.00000 -0.00951 0.00404 116 2S -0.01862 0.01289 0.00000 0.04817 -0.01855 117 3S 0.00886 -0.00683 0.00000 -0.03712 0.01092 118 4S 0.00993 -0.00786 0.00000 -0.05701 0.01514 119 5S 0.00041 -0.00361 0.00000 0.02791 0.00891 120 6S 0.05254 -0.02000 0.00000 -0.03232 0.00053 121 7PX 0.00050 0.01057 0.00000 -0.01533 -0.00857 122 7PY -0.00509 0.00079 0.00000 0.00970 0.00471 123 7PZ 0.00000 0.00000 0.00785 0.00000 0.00000 124 8PX -0.01892 -0.02553 0.00000 -0.02852 -0.00774 125 8PY 0.01230 -0.00306 -0.00001 0.07874 0.01862 126 8PZ 0.00001 0.00000 -0.01717 0.00004 0.00001 127 9PX 0.04160 0.04360 0.00000 0.08194 0.02730 128 9PY -0.02156 0.00637 0.00001 -0.18700 -0.04745 129 9PZ -0.00001 0.00000 0.02810 -0.00009 -0.00003 130 10PX 0.01400 0.04150 0.00000 0.07332 0.02354 131 10PY -0.02334 0.00302 0.00001 -0.14450 -0.03699 132 10PZ -0.00001 0.00000 0.02996 -0.00008 -0.00002 133 11XX -0.00431 0.00525 0.00000 0.03252 -0.00383 134 11YY -0.00856 0.00500 0.00000 0.00176 -0.01569 135 11ZZ -0.00790 0.00482 0.00000 0.02944 -0.00271 136 11XY 0.00098 0.00064 0.00000 0.00175 0.00229 137 11XZ 0.00000 0.00000 -0.00131 0.00000 0.00000 138 11YZ 0.00000 0.00000 -0.00028 0.00000 0.00000 139 12XX -0.00950 0.00125 0.00000 0.00780 -0.00311 140 12YY -0.00605 0.00527 0.00000 0.01898 0.00012 141 12ZZ -0.00891 0.00497 0.00000 0.01326 -0.00102 142 12XY 0.00121 -0.00053 0.00000 0.00705 0.00127 143 12XZ 0.00000 0.00000 -0.00088 0.00000 0.00000 144 12YZ 0.00000 0.00000 -0.00104 0.00000 0.00000 145 8 Br 1S 0.00272 0.00265 0.00000 -0.02405 0.02867 146 2S -0.01649 -0.01471 0.00000 0.11330 -0.13924 147 3S 0.01775 0.01385 0.00000 -0.07311 0.09774 148 4S 0.02683 0.02101 0.00000 -0.10798 0.14626 149 5S -0.04817 -0.02643 -0.00001 -0.02230 -0.02312 150 6S 0.09909 0.05093 0.00002 -0.00092 0.05235 151 7PX -0.04486 -0.01997 -0.00001 -0.01995 0.00936 152 7PY -0.02571 -0.00091 0.00000 -0.00092 0.00316 153 7PZ -0.00001 0.00000 0.01080 0.00000 0.00000 154 8PX 0.14227 0.07088 0.00001 -0.06267 -0.04936 155 8PY 0.08763 0.00060 0.00001 0.10258 0.06419 156 8PZ 0.00003 0.00002 -0.03603 0.00001 0.00001 157 9PX -0.25754 -0.12993 -0.00002 0.16260 0.09839 158 9PY -0.16040 -0.00026 -0.00003 -0.22691 -0.14637 159 9PZ -0.00006 -0.00003 0.06581 -0.00002 -0.00003 160 10PX -0.16338 -0.08392 -0.00001 0.12479 0.08455 161 10PY -0.10498 0.00393 -0.00002 -0.18184 -0.11146 162 10PZ -0.00004 -0.00002 0.04660 -0.00001 -0.00002 163 11XX -0.00026 0.00058 0.00000 0.02924 -0.06745 164 11YY -0.00921 -0.01188 0.00000 0.06862 -0.04817 165 11ZZ -0.01616 -0.01006 0.00000 0.04029 -0.06064 166 11XY 0.01129 0.00121 0.00000 -0.00317 0.00214 167 11XZ 0.00000 0.00000 -0.00344 -0.00001 0.00000 168 11YZ 0.00000 0.00000 -0.00300 0.00001 0.00000 169 12XX -0.03060 -0.01701 0.00000 0.02120 -0.02001 170 12YY -0.01723 -0.00651 0.00000 0.00214 -0.03209 171 12ZZ -0.01248 -0.00819 0.00000 0.00956 -0.02623 172 12XY -0.01127 -0.00164 0.00000 -0.00774 -0.00602 173 12XZ 0.00000 0.00000 0.00221 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00014 0.00000 0.00000 31 32 33 34 35 31 4PY 0.05318 32 4PZ 0.00001 0.03634 33 5XX 0.01241 0.00000 0.03284 34 5YY -0.01737 0.00000 -0.01435 0.04248 35 5ZZ 0.00093 0.00000 -0.00736 -0.00559 0.01890 36 5XY -0.01205 0.00000 0.00631 0.00044 0.00370 37 5XZ 0.00000 -0.01868 0.00000 0.00000 0.00000 38 5YZ 0.00000 0.00920 0.00000 0.00000 0.00000 39 3 Cl 1S 0.00203 0.00460 -0.00224 -0.00493 0.00230 40 2S -0.00840 -0.01888 0.00992 0.02332 -0.00921 41 2PX 0.00803 0.01245 -0.03013 -0.01262 0.01820 42 2PY 0.00140 -0.00565 -0.01861 0.04063 -0.00945 43 2PZ -0.00345 -0.00762 -0.02307 0.01157 0.02595 44 3S 0.01165 0.03180 -0.02617 -0.04201 0.02201 45 3PX 0.00595 -0.01978 0.08136 0.02821 -0.03536 46 3PY -0.00204 0.00799 0.04134 -0.09714 0.01842 47 3PZ 0.01152 0.02991 0.04812 -0.01761 -0.06378 48 4S 0.00076 0.00660 -0.03297 0.00306 0.04174 49 4PX -0.00855 -0.00696 0.01186 0.00246 -0.00715 50 4PY -0.00014 0.00374 0.01251 -0.02000 0.00400 51 4PZ -0.00814 -0.00057 0.00165 0.01250 -0.00334 52 5XX -0.00223 -0.00052 -0.00360 0.00101 0.00404 53 5YY -0.00128 -0.00022 -0.00368 0.00386 0.00305 54 5ZZ 0.00338 0.00361 0.00723 -0.00586 -0.00867 55 5XY -0.00166 -0.00029 0.00203 0.00028 -0.00049 56 5XZ 0.00176 -0.00216 0.00877 0.00191 -0.00219 57 5YZ -0.00032 0.00098 0.00430 -0.00975 0.00112 58 4 Cl 1S 0.00203 -0.00459 -0.00224 -0.00492 0.00230 59 2S -0.00840 0.01887 0.00991 0.02331 -0.00920 60 2PX 0.00804 -0.01245 -0.03013 -0.01261 0.01818 61 2PY 0.00141 0.00565 -0.01862 0.04064 -0.00944 62 2PZ 0.00345 -0.00762 0.02307 -0.01155 -0.02597 63 3S 0.01165 -0.03180 -0.02616 -0.04200 0.02198 64 3PX 0.00595 0.01978 0.08135 0.02819 -0.03533 65 3PY -0.00205 -0.00799 0.04137 -0.09717 0.01842 66 3PZ -0.01152 0.02991 -0.04814 0.01757 0.06383 67 4S 0.00077 -0.00660 -0.03296 0.00305 0.04175 68 4PX -0.00855 0.00696 0.01186 0.00246 -0.00715 69 4PY -0.00014 -0.00374 0.01252 -0.02002 0.00400 70 4PZ 0.00813 -0.00057 -0.00165 -0.01251 0.00335 71 5XX -0.00223 0.00051 -0.00360 0.00101 0.00404 72 5YY -0.00128 0.00022 -0.00368 0.00385 0.00305 73 5ZZ 0.00338 -0.00361 0.00723 -0.00585 -0.00867 74 5XY -0.00166 0.00029 0.00203 0.00028 -0.00049 75 5XZ -0.00176 -0.00216 -0.00877 -0.00191 0.00219 76 5YZ 0.00032 0.00099 -0.00430 0.00975 -0.00112 77 5 Cl 1S -0.00289 0.00000 0.00070 -0.00056 0.00012 78 2S 0.01096 0.00000 -0.00308 0.00288 -0.00034 79 2PX 0.00528 0.00001 0.00660 -0.00158 0.00518 80 2PY 0.00069 0.00000 -0.00258 0.00788 -0.00908 81 2PZ 0.00001 0.00442 0.00000 0.00000 0.00000 82 3S -0.00901 0.00000 0.00503 -0.00587 -0.00028 83 3PX -0.02823 -0.00002 -0.01595 0.00547 -0.01317 84 3PY -0.00188 0.00000 0.00565 -0.02268 0.02245 85 3PZ -0.00001 -0.01543 0.00000 -0.00001 0.00000 86 4S 0.00032 0.00000 0.00720 -0.00961 -0.00209 87 4PX -0.01362 -0.00001 -0.01003 0.00714 -0.00704 88 4PY 0.00115 0.00000 0.00618 -0.01613 0.00871 89 4PZ -0.00001 -0.00835 0.00000 0.00000 0.00000 90 5XX -0.00003 0.00000 -0.00035 0.00059 -0.00012 91 5YY -0.00045 0.00000 -0.00003 -0.00013 0.00095 92 5ZZ -0.00001 0.00000 -0.00027 0.00048 -0.00022 93 5XY -0.00097 0.00000 -0.00026 -0.00051 -0.00029 94 5XZ 0.00000 -0.00002 0.00000 0.00000 0.00000 95 5YZ 0.00000 -0.00016 0.00000 0.00000 0.00000 96 6 Cl 1S -0.00633 0.00000 -0.00214 0.00473 -0.00194 97 2S 0.02248 0.00000 0.00904 -0.02064 0.00844 98 2PX 0.00356 0.00000 0.00462 -0.01659 0.00349 99 2PY -0.01002 0.00000 -0.02594 0.04679 -0.01688 100 2PZ -0.00001 -0.03684 0.00000 0.00001 -0.00001 101 3S -0.01467 0.00000 -0.01684 0.03840 -0.01477 102 3PX -0.02620 0.00000 -0.01066 0.04049 -0.00674 103 3PY 0.02703 -0.00001 0.06591 -0.10431 0.04318 104 3PZ 0.00002 0.11377 0.00001 -0.00002 0.00002 105 4S -0.01952 0.00000 -0.00481 0.01600 -0.00581 106 4PX -0.00948 0.00000 -0.00391 0.02068 -0.00430 107 4PY 0.01352 -0.00001 0.02832 -0.04683 0.01944 108 4PZ 0.00001 0.05870 0.00000 -0.00001 0.00001 109 5XX 0.00062 0.00000 0.00137 -0.00186 0.00104 110 5YY -0.00047 0.00000 -0.00312 0.00417 -0.00250 111 5ZZ 0.00055 0.00000 0.00098 -0.00212 0.00135 112 5XY 0.00225 0.00000 0.00130 -0.00209 0.00036 113 5XZ 0.00000 0.00046 0.00000 0.00000 0.00000 114 5YZ 0.00000 -0.00350 0.00000 0.00000 0.00000 115 7 Br 1S 0.01604 0.00000 0.00123 0.00018 0.00068 116 2S -0.07764 -0.00002 -0.00590 -0.00070 -0.00316 117 3S 0.05379 0.00001 0.00397 0.00018 0.00197 118 4S 0.08085 0.00002 0.00638 0.00018 0.00283 119 5S -0.00649 0.00000 -0.00031 0.00139 0.00130 120 6S 0.01588 0.00001 -0.00300 -0.00064 -0.00238 121 7PX -0.00196 0.00000 0.00209 -0.00332 -0.00482 122 7PY -0.00305 0.00000 0.00099 0.00196 -0.00108 123 7PZ 0.00000 -0.00074 0.00000 0.00000 0.00000 124 8PX 0.00653 0.00000 -0.01226 0.00960 0.01290 125 8PY -0.01764 0.00000 -0.00418 -0.00577 0.00248 126 8PZ -0.00002 0.00770 0.00000 0.00000 0.00000 127 9PX -0.01247 -0.00001 0.02475 -0.01751 -0.02300 128 9PY 0.04278 0.00001 0.00823 0.01017 -0.00420 129 9PZ 0.00003 -0.01620 0.00000 0.00001 0.00000 130 10PX -0.01459 -0.00001 0.02169 -0.01349 -0.01634 131 10PY 0.03212 0.00001 0.00446 0.00917 -0.00167 132 10PZ 0.00003 -0.01384 0.00000 0.00001 0.00000 133 11XX -0.03402 -0.00001 -0.00185 -0.00058 -0.00153 134 11YY -0.03098 -0.00001 -0.00260 -0.00001 -0.00124 135 11ZZ -0.03274 -0.00001 -0.00281 -0.00003 -0.00110 136 11XY 0.00048 0.00000 0.00005 -0.00021 -0.00019 137 11XZ 0.00000 0.00010 0.00000 0.00000 0.00000 138 11YZ 0.00000 -0.00135 0.00000 0.00000 0.00000 139 12XX -0.01158 0.00000 -0.00121 0.00143 0.00066 140 12YY -0.01308 0.00000 0.00002 -0.00061 -0.00031 141 12ZZ -0.01199 0.00000 -0.00026 0.00024 -0.00019 142 12XY -0.00175 0.00000 0.00000 -0.00033 0.00012 143 12XZ 0.00000 0.00033 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00016 0.00000 0.00000 0.00000 145 8 Br 1S 0.02277 0.00001 -0.00119 0.00045 -0.00015 146 2S -0.10956 -0.00003 0.00826 -0.00281 -0.00097 147 3S 0.07490 0.00002 -0.01024 0.00317 0.00384 148 4S 0.11226 0.00003 -0.01890 0.00526 0.00754 149 5S -0.00217 0.00000 0.01713 -0.00497 -0.00959 150 6S 0.01872 0.00001 0.01434 -0.00113 -0.00708 151 7PX 0.00444 0.00000 0.00492 0.00548 -0.00551 152 7PY 0.00942 0.00000 0.00913 -0.00817 -0.00093 153 7PZ 0.00000 0.01041 0.00000 0.00000 0.00000 154 8PX 0.03857 0.00001 -0.01113 -0.01292 0.01561 155 8PY -0.07132 0.00000 -0.02601 0.02787 0.00629 156 8PZ 0.00001 -0.05915 0.00000 0.00000 0.00001 157 9PX -0.09011 -0.00002 0.01863 0.02187 -0.02709 158 9PY 0.14684 0.00000 0.04655 -0.05168 -0.01240 159 9PZ -0.00001 0.11785 0.00001 0.00000 -0.00002 160 10PX -0.06683 -0.00002 0.01790 0.01556 -0.02201 161 10PY 0.12299 0.00000 0.03732 -0.04324 -0.00853 162 10PZ -0.00001 0.09873 0.00001 0.00000 -0.00001 163 11XX -0.03817 -0.00001 0.00491 -0.00197 -0.00023 164 11YY -0.05523 -0.00001 0.00389 -0.00100 -0.00066 165 11ZZ -0.04351 -0.00001 0.00460 -0.00153 -0.00254 166 11XY -0.00228 0.00000 -0.00069 0.00151 0.00176 167 11XZ 0.00000 -0.00397 0.00000 0.00000 0.00000 168 11YZ 0.00000 -0.00323 0.00000 0.00000 0.00000 169 12XX -0.02136 -0.00001 0.00198 0.00029 -0.00257 170 12YY -0.01094 -0.00001 0.00130 -0.00205 -0.00022 171 12ZZ -0.01437 0.00000 0.00069 -0.00134 0.00090 172 12XY 0.00478 0.00000 0.00178 -0.00190 -0.00180 173 12XZ 0.00000 0.00555 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00271 0.00000 0.00000 0.00000 36 37 38 39 40 36 5XY 0.03144 37 5XZ 0.00000 0.03555 38 5YZ 0.00000 -0.00825 0.02507 39 3 Cl 1S -0.00220 -0.00847 0.00441 2.16066 40 2S 0.01100 0.03912 -0.02034 -0.61871 2.39686 41 2PX -0.01985 -0.02661 0.03251 0.00000 0.00000 42 2PY -0.01763 0.03228 0.01943 0.00000 0.00000 43 2PZ 0.02866 0.04472 -0.02311 -0.00102 0.00779 44 3S -0.01316 -0.06807 0.03532 0.04048 -0.41993 45 3PX 0.03983 0.04815 -0.07014 0.00000 0.00000 46 3PY 0.04748 -0.06981 -0.05132 0.00000 -0.00001 47 3PZ -0.05452 -0.09788 0.05054 -0.00052 -0.00317 48 4S 0.02949 0.01222 -0.00597 0.03712 -0.13169 49 4PX 0.01079 -0.00016 -0.01830 0.00000 0.00000 50 4PY 0.00910 -0.01823 -0.02569 0.00000 -0.00002 51 4PZ 0.00883 -0.02158 0.01131 -0.01546 0.07208 52 5XX 0.00583 -0.00155 0.00191 0.02772 -0.04648 53 5YY 0.00392 0.00019 -0.00118 0.02454 -0.03191 54 5ZZ -0.01084 -0.00571 0.00298 0.02728 -0.04524 55 5XY 0.00050 0.00255 -0.00039 -0.00271 0.01230 56 5XZ 0.00339 0.00408 -0.00460 0.00000 0.00000 57 5YZ 0.00552 -0.00456 -0.00241 0.00000 0.00000 58 4 Cl 1S -0.00221 0.00847 -0.00441 -0.00068 0.00317 59 2S 0.01101 -0.03912 0.02035 0.00317 -0.01500 60 2PX -0.01986 0.02662 -0.03252 0.00000 0.00000 61 2PY -0.01763 -0.03229 -0.01942 0.00000 0.00000 62 2PZ -0.02867 0.04470 -0.02310 -0.00541 0.02280 63 3S -0.01317 0.06806 -0.03534 -0.00598 0.02800 64 3PX 0.03985 -0.04816 0.07016 0.00000 0.00000 65 3PY 0.04747 0.06984 0.05129 0.00000 0.00001 66 3PZ 0.05454 -0.09784 0.05053 0.01468 -0.06193 67 4S 0.02949 -0.01220 0.00596 0.00804 -0.03230 68 4PX 0.01079 0.00016 0.01830 0.00000 0.00000 69 4PY 0.00910 0.01823 0.02568 0.00000 0.00001 70 4PZ -0.00883 -0.02158 0.01131 0.00344 -0.01575 71 5XX 0.00583 0.00156 -0.00192 -0.00035 0.00197 72 5YY 0.00392 -0.00019 0.00118 -0.00024 0.00135 73 5ZZ -0.01084 0.00570 -0.00298 0.00009 0.00020 74 5XY 0.00050 -0.00255 0.00039 0.00003 -0.00026 75 5XZ -0.00340 0.00408 -0.00460 0.00000 0.00000 76 5YZ -0.00552 -0.00457 -0.00240 0.00000 0.00000 77 5 Cl 1S -0.00018 0.00000 0.00000 -0.00011 0.00064 78 2S 0.00073 0.00000 0.00000 0.00040 -0.00244 79 2PX 0.00551 0.00000 0.00000 -0.00112 0.00485 80 2PY -0.00538 0.00000 0.00000 0.00184 -0.00867 81 2PZ 0.00000 -0.00469 -0.00583 -0.00151 0.00625 82 3S -0.00049 0.00000 0.00000 -0.00110 0.00639 83 3PX -0.01481 0.00000 -0.00001 0.00291 -0.01286 84 3PY 0.01576 0.00001 0.00000 -0.00468 0.02117 85 3PZ 0.00000 0.01121 0.01622 0.00393 -0.01623 86 4S -0.00073 0.00000 0.00000 0.00110 -0.00479 87 4PX -0.00837 0.00000 0.00000 0.00114 -0.00504 88 4PY 0.00647 0.00001 0.00000 -0.00147 0.00632 89 4PZ 0.00000 0.00848 0.00984 0.00223 -0.00942 90 5XX -0.00007 0.00000 0.00000 -0.00001 0.00011 91 5YY 0.00045 0.00000 0.00000 -0.00014 0.00053 92 5ZZ -0.00001 0.00000 0.00000 0.00005 -0.00016 93 5XY -0.00034 0.00000 0.00000 0.00009 -0.00028 94 5XZ 0.00000 0.00018 0.00008 -0.00001 0.00001 95 5YZ 0.00000 -0.00043 0.00027 0.00016 -0.00058 96 6 Cl 1S -0.00080 0.00000 0.00000 -0.00011 0.00064 97 2S 0.00370 0.00000 0.00000 0.00040 -0.00245 98 2PX -0.03008 0.00000 0.00000 0.00112 -0.00485 99 2PY -0.00422 0.00000 0.00001 -0.00184 0.00868 100 2PZ 0.00000 0.00669 -0.03085 -0.00151 0.00625 101 3S -0.00890 0.00000 0.00001 -0.00110 0.00639 102 3PX 0.07590 0.00001 0.00000 -0.00292 0.01287 103 3PY 0.01168 0.00001 -0.00002 0.00468 -0.02118 104 3PZ 0.00000 -0.01714 0.07782 0.00393 -0.01623 105 4S -0.00716 0.00000 0.00000 0.00109 -0.00478 106 4PX 0.03788 0.00000 0.00000 -0.00114 0.00504 107 4PY 0.01112 0.00001 -0.00001 0.00148 -0.00633 108 4PZ 0.00000 -0.00985 0.04411 0.00223 -0.00943 109 5XX 0.00092 0.00000 0.00000 -0.00001 0.00011 110 5YY 0.00004 0.00000 0.00000 -0.00014 0.00053 111 5ZZ -0.00012 0.00000 0.00000 0.00005 -0.00016 112 5XY -0.00201 0.00000 0.00000 0.00009 -0.00028 113 5XZ 0.00000 0.00032 0.00072 0.00001 -0.00001 114 5YZ 0.00000 0.00017 -0.00242 -0.00016 0.00058 115 7 Br 1S -0.00008 0.00000 0.00000 0.00005 -0.00021 116 2S -0.00032 0.00000 0.00000 -0.00043 0.00171 117 3S 0.00149 0.00000 0.00000 0.00063 -0.00251 118 4S 0.00342 0.00000 0.00000 0.00086 -0.00400 119 5S -0.00104 0.00000 0.00000 -0.00192 0.01014 120 6S -0.01554 0.00000 0.00000 0.00373 -0.01578 121 7PX 0.00187 0.00000 0.00000 0.00089 -0.00406 122 7PY 0.00023 0.00000 0.00000 0.00009 -0.00081 123 7PZ 0.00000 -0.00012 -0.00294 0.00059 -0.00240 124 8PX -0.00525 0.00000 0.00000 -0.00273 0.01210 125 8PY -0.00012 0.00000 0.00000 -0.00032 0.00162 126 8PZ 0.00000 0.00287 0.00901 -0.00182 0.00742 127 9PX 0.00931 0.00000 0.00000 0.00508 -0.02242 128 9PY 0.00025 0.00000 0.00000 0.00054 -0.00246 129 9PZ 0.00000 -0.00608 -0.01610 0.00333 -0.01364 130 10PX 0.01426 0.00000 0.00000 0.00270 -0.01144 131 10PY 0.00054 0.00000 0.00000 0.00012 -0.00023 132 10PZ 0.00000 -0.00456 -0.01627 0.00289 -0.01204 133 11XX -0.00048 0.00000 0.00000 -0.00031 0.00089 134 11YY -0.00029 0.00000 0.00000 -0.00038 0.00123 135 11ZZ -0.00047 0.00000 0.00000 -0.00042 0.00140 136 11XY 0.00019 0.00000 0.00000 0.00006 -0.00018 137 11XZ 0.00000 -0.00056 0.00017 0.00002 0.00005 138 11YZ 0.00000 -0.00009 0.00000 0.00002 -0.00015 139 12XX 0.00070 0.00000 0.00000 -0.00089 0.00333 140 12YY 0.00181 0.00000 0.00000 -0.00062 0.00268 141 12ZZ 0.00203 0.00000 0.00000 -0.00075 0.00326 142 12XY -0.00047 0.00000 0.00000 0.00009 -0.00061 143 12XZ 0.00000 0.00058 0.00033 -0.00043 0.00171 144 12YZ 0.00000 0.00027 0.00040 -0.00021 0.00092 145 8 Br 1S 0.00002 0.00000 0.00000 0.00005 -0.00021 146 2S 0.00270 0.00000 0.00000 -0.00043 0.00172 147 3S -0.00694 0.00000 0.00000 0.00063 -0.00251 148 4S -0.01403 -0.00001 0.00000 0.00086 -0.00400 149 5S 0.01921 0.00000 0.00000 -0.00192 0.01014 150 6S 0.00844 0.00000 0.00000 0.00373 -0.01578 151 7PX 0.01655 0.00000 0.00000 -0.00089 0.00406 152 7PY 0.00239 0.00000 0.00000 -0.00009 0.00081 153 7PZ 0.00000 -0.01007 -0.00342 0.00059 -0.00240 154 8PX -0.04584 -0.00001 -0.00001 0.00273 -0.01210 155 8PY -0.00484 -0.00001 0.00000 0.00032 -0.00162 156 8PZ -0.00001 0.03143 0.01186 -0.00182 0.00742 157 9PX 0.08086 0.00002 0.00001 -0.00508 0.02242 158 9PY 0.00764 0.00002 0.00000 -0.00055 0.00246 159 9PZ 0.00002 -0.05671 -0.02143 0.00333 -0.01364 160 10PX 0.05949 0.00002 0.00001 -0.00270 0.01144 161 10PY 0.00316 0.00001 0.00000 -0.00012 0.00024 162 10PZ 0.00001 -0.05012 -0.01902 0.00289 -0.01204 163 11XX 0.00004 0.00000 0.00000 -0.00031 0.00089 164 11YY 0.00343 0.00000 0.00000 -0.00038 0.00123 165 11ZZ 0.00322 0.00000 0.00000 -0.00042 0.00140 166 11XY -0.00150 0.00000 0.00000 0.00006 -0.00018 167 11XZ 0.00000 0.00105 0.00160 -0.00002 -0.00005 168 11YZ 0.00000 0.00053 0.00041 -0.00002 0.00015 169 12XX 0.00578 0.00000 0.00000 -0.00089 0.00333 170 12YY -0.00094 0.00000 0.00000 -0.00062 0.00268 171 12ZZ 0.00010 0.00000 0.00000 -0.00075 0.00326 172 12XY 0.00111 0.00000 0.00000 0.00009 -0.00061 173 12XZ 0.00000 -0.00329 -0.00131 0.00043 -0.00171 174 12YZ 0.00000 -0.00152 0.00024 0.00021 -0.00092 41 42 43 44 45 41 2PX 2.13265 42 2PY -0.00253 2.12913 43 2PZ 0.00000 0.00000 2.14552 44 3S 0.00000 -0.00001 0.01030 1.15412 45 3PX -0.36510 -0.00028 -0.00001 0.00000 1.10693 46 3PY -0.00030 -0.36569 0.00000 0.00003 -0.00015 47 3PZ -0.00001 0.00000 -0.39983 -0.04503 0.00002 48 4S 0.00001 -0.00005 0.25152 0.20675 -0.00001 49 4PX -0.08584 -0.03430 -0.00001 0.00000 0.16418 50 4PY -0.03329 -0.13418 -0.00001 0.00004 0.08523 51 4PZ -0.00001 -0.00001 -0.09852 -0.15229 0.00003 52 5XX 0.00000 0.00000 0.01134 0.02174 0.00000 53 5YY 0.00000 0.00001 0.00884 -0.00940 0.00000 54 5ZZ 0.00000 -0.00001 -0.03023 0.01206 0.00000 55 5XY 0.00001 0.00000 -0.00203 -0.02670 -0.00002 56 5XZ -0.02938 -0.00144 0.00000 0.00000 0.09411 57 5YZ -0.00135 -0.03144 0.00001 -0.00001 -0.00262 58 4 Cl 1S 0.00000 0.00000 0.00541 -0.00598 0.00000 59 2S 0.00000 0.00000 -0.02280 0.02800 0.00000 60 2PX -0.00871 -0.00650 0.00000 0.00000 0.02068 61 2PY -0.00650 -0.01833 0.00000 0.00001 0.02075 62 2PZ 0.00000 0.00000 0.03616 -0.05819 0.00000 63 3S 0.00001 0.00000 0.05819 -0.03911 -0.00002 64 3PX 0.02068 0.02075 0.00000 0.00000 -0.04996 65 3PY 0.02075 0.05135 0.00001 -0.00003 -0.06111 66 3PZ 0.00000 0.00001 -0.11337 0.15543 0.00001 67 4S 0.00000 0.00000 0.07412 0.07206 0.00000 68 4PX -0.00041 0.02865 0.00000 0.00000 -0.01991 69 4PY 0.02932 0.04179 0.00002 -0.00002 -0.07065 70 4PZ 0.00000 0.00001 -0.10501 0.03035 0.00000 71 5XX 0.00000 0.00000 0.01584 -0.00038 0.00000 72 5YY 0.00000 0.00000 0.00913 0.00075 0.00000 73 5ZZ 0.00000 0.00000 -0.01125 -0.00562 0.00000 74 5XY 0.00000 0.00000 -0.00544 -0.00001 0.00000 75 5XZ 0.00585 0.00086 0.00000 0.00000 -0.01374 76 5YZ 0.00079 0.00699 0.00000 0.00000 -0.00247 77 5 Cl 1S 0.00046 -0.00125 0.00004 -0.00053 -0.00090 78 2S -0.00207 0.00569 0.00008 0.00207 0.00432 79 2PX -0.00020 -0.00786 0.00136 -0.01209 0.00145 80 2PY -0.00622 0.01137 0.00033 0.01889 0.01526 81 2PZ 0.00374 -0.00828 -0.00094 -0.01692 -0.00898 82 3S 0.00478 -0.01236 0.00125 -0.00557 -0.00946 83 3PX 0.00037 0.02042 -0.00388 0.03054 -0.00333 84 3PY 0.01624 -0.03013 -0.00052 -0.04928 -0.04115 85 3PZ -0.00978 0.02146 0.00233 0.04378 0.02320 86 4S -0.00081 -0.01212 -0.00437 0.00722 -0.00341 87 4PX 0.00000 0.01639 -0.00181 0.01461 -0.00002 88 4PY 0.00611 -0.02188 -0.00502 -0.01760 -0.01940 89 4PZ -0.00797 0.01841 -0.00078 0.02510 0.01964 90 5XX 0.00025 0.00056 0.00037 -0.00003 -0.00040 91 5YY -0.00033 0.00058 -0.00069 -0.00196 -0.00010 92 5ZZ -0.00031 0.00054 0.00062 0.00080 0.00093 93 5XY 0.00011 -0.00026 -0.00019 0.00082 -0.00051 94 5XZ 0.00013 0.00066 -0.00002 0.00007 -0.00018 95 5YZ -0.00010 -0.00083 -0.00039 0.00136 0.00009 96 6 Cl 1S -0.00046 0.00125 0.00004 -0.00053 0.00090 97 2S 0.00207 -0.00569 0.00008 0.00208 -0.00433 98 2PX -0.00020 -0.00786 -0.00136 0.01210 0.00145 99 2PY -0.00623 0.01137 -0.00033 -0.01890 0.01527 100 2PZ -0.00375 0.00828 -0.00094 -0.01693 0.00899 101 3S -0.00478 0.01236 0.00125 -0.00559 0.00947 102 3PX 0.00037 0.02042 0.00389 -0.03057 -0.00332 103 3PY 0.01625 -0.03014 0.00051 0.04931 -0.04117 104 3PZ 0.00978 -0.02146 0.00233 0.04381 -0.02322 105 4S 0.00080 0.01215 -0.00436 0.00720 0.00342 106 4PX 0.00000 0.01639 0.00181 -0.01462 -0.00002 107 4PY 0.00612 -0.02189 0.00501 0.01761 -0.01943 108 4PZ 0.00797 -0.01841 -0.00078 0.02512 -0.01965 109 5XX -0.00025 -0.00057 0.00037 -0.00003 0.00040 110 5YY 0.00033 -0.00058 -0.00070 -0.00196 0.00010 111 5ZZ 0.00031 -0.00054 0.00062 0.00080 -0.00093 112 5XY -0.00011 0.00026 -0.00019 0.00082 0.00051 113 5XZ 0.00013 0.00066 0.00002 -0.00007 -0.00018 114 5YZ -0.00010 -0.00083 0.00039 -0.00135 0.00009 115 7 Br 1S -0.00079 -0.00009 -0.00013 0.00063 0.00231 116 2S 0.00519 0.00092 0.00050 -0.00361 -0.01405 117 3S -0.00596 -0.00151 -0.00003 0.00350 0.01475 118 4S -0.01132 -0.00242 -0.00084 0.00546 0.02860 119 5S 0.00751 0.00074 0.00340 -0.01191 -0.01385 120 6S 0.01378 0.00770 -0.00589 0.02299 -0.04954 121 7PX -0.00548 -0.00157 -0.00007 0.00988 0.01406 122 7PY -0.00110 0.00116 0.00054 0.00050 0.00236 123 7PZ -0.00325 -0.00060 0.00053 0.00678 0.00917 124 8PX 0.01747 0.00492 0.00052 -0.02961 -0.04699 125 8PY 0.00374 -0.00354 -0.00165 -0.00310 -0.00947 126 8PZ 0.01024 0.00207 -0.00143 -0.02078 -0.02956 127 9PX -0.03238 -0.00908 -0.00173 0.05448 0.08848 128 9PY -0.00734 0.00616 0.00295 0.00643 0.01953 129 9PZ -0.01832 -0.00353 0.00270 0.03782 0.05379 130 10PX -0.03203 -0.01347 0.00369 0.03422 0.08834 131 10PY -0.00390 0.00465 0.00539 0.00094 0.01037 132 10PZ -0.02266 -0.00495 0.00033 0.03338 0.06043 133 11XX 0.00310 0.00081 0.00020 -0.00129 -0.00737 134 11YY 0.00248 0.00074 -0.00003 -0.00168 -0.00605 135 11ZZ 0.00277 0.00068 -0.00030 -0.00245 -0.00695 136 11XY 0.00007 -0.00019 0.00024 0.00083 0.00001 137 11XZ 0.00064 0.00034 -0.00011 0.00023 -0.00155 138 11YZ 0.00009 -0.00009 -0.00009 -0.00003 -0.00022 139 12XX 0.00056 0.00126 -0.00077 -0.00628 0.00042 140 12YY -0.00166 -0.00115 0.00023 -0.00333 0.00440 141 12ZZ -0.00083 -0.00042 0.00173 -0.00365 0.00393 142 12XY -0.00125 0.00025 -0.00201 0.00015 0.00137 143 12XZ 0.00146 -0.00047 0.00098 -0.00320 -0.00114 144 12YZ 0.00129 0.00026 0.00058 -0.00212 -0.00304 145 8 Br 1S 0.00079 0.00009 -0.00013 0.00063 -0.00231 146 2S -0.00519 -0.00092 0.00050 -0.00361 0.01405 147 3S 0.00596 0.00152 -0.00003 0.00350 -0.01475 148 4S 0.01132 0.00242 -0.00084 0.00546 -0.02860 149 5S -0.00751 -0.00075 0.00340 -0.01191 0.01385 150 6S -0.01379 -0.00769 -0.00590 0.02298 0.04955 151 7PX -0.00548 -0.00158 0.00007 -0.00988 0.01406 152 7PY -0.00110 0.00116 -0.00054 -0.00050 0.00237 153 7PZ 0.00325 0.00060 0.00053 0.00678 -0.00917 154 8PX 0.01747 0.00492 -0.00052 0.02961 -0.04698 155 8PY 0.00375 -0.00354 0.00165 0.00311 -0.00948 156 8PZ -0.01024 -0.00208 -0.00143 -0.02078 0.02956 157 9PX -0.03238 -0.00909 0.00174 -0.05448 0.08847 158 9PY -0.00735 0.00615 -0.00295 -0.00644 0.01955 159 9PZ 0.01831 0.00353 0.00270 0.03782 -0.05379 160 10PX -0.03203 -0.01347 -0.00369 -0.03422 0.08833 161 10PY -0.00391 0.00464 -0.00538 -0.00095 0.01041 162 10PZ 0.02266 0.00496 0.00033 0.03338 -0.06043 163 11XX -0.00310 -0.00081 0.00020 -0.00129 0.00737 164 11YY -0.00248 -0.00074 -0.00003 -0.00168 0.00605 165 11ZZ -0.00277 -0.00068 -0.00030 -0.00245 0.00695 166 11XY -0.00007 0.00019 0.00024 0.00083 -0.00001 167 11XZ 0.00064 0.00034 0.00011 -0.00023 -0.00155 168 11YZ 0.00009 -0.00009 0.00009 0.00003 -0.00022 169 12XX -0.00056 -0.00127 -0.00077 -0.00628 -0.00042 170 12YY 0.00166 0.00115 0.00023 -0.00333 -0.00440 171 12ZZ 0.00083 0.00042 0.00173 -0.00365 -0.00393 172 12XY 0.00125 -0.00025 -0.00201 0.00014 -0.00136 173 12XZ 0.00146 -0.00047 -0.00098 0.00320 -0.00114 174 12YZ 0.00129 0.00026 -0.00058 0.00212 -0.00304 46 47 48 49 50 46 3PY 1.10650 47 3PZ -0.00001 1.20763 48 4S 0.00010 -0.46267 0.27436 49 4PX 0.08719 0.00002 0.00000 0.04100 50 4PY 0.28846 0.00003 0.00001 0.04038 0.09788 51 4PZ 0.00002 0.26120 -0.09345 0.00001 0.00001 52 5XX 0.00001 -0.02165 0.02125 0.00000 0.00000 53 5YY -0.00003 -0.02544 0.01386 0.00000 -0.00001 54 5ZZ 0.00001 0.09691 -0.04379 0.00000 0.00001 55 5XY 0.00001 -0.00287 -0.00628 0.00000 0.00000 56 5XZ -0.00251 0.00000 0.00000 0.01205 0.00527 57 5YZ 0.09055 -0.00002 0.00001 0.00535 0.01975 58 4 Cl 1S 0.00000 -0.01468 0.00804 0.00000 0.00000 59 2S 0.00000 0.06193 -0.03230 0.00000 0.00000 60 2PX 0.02075 0.00000 0.00000 -0.00041 0.02932 61 2PY 0.05135 0.00001 0.00001 0.02864 0.04180 62 2PZ 0.00001 -0.11337 -0.07412 0.00000 0.00000 63 3S 0.00000 -0.15542 0.07206 -0.00001 -0.00001 64 3PX -0.06111 0.00001 0.00000 -0.01991 -0.07064 65 3PY -0.14004 -0.00004 -0.00002 -0.06994 -0.12165 66 3PZ -0.00003 0.32711 0.10007 0.00001 0.00000 67 4S 0.00000 -0.10007 0.14330 0.00000 -0.00001 68 4PX -0.06995 -0.00001 0.00000 -0.01037 -0.03102 69 4PY -0.12163 -0.00004 0.00000 -0.03102 -0.05647 70 4PZ -0.00003 0.23763 -0.05445 0.00000 0.00000 71 5XX 0.00000 -0.03887 0.02423 0.00000 0.00000 72 5YY 0.00000 -0.02104 0.01322 0.00000 0.00000 73 5ZZ 0.00000 0.03060 -0.03361 0.00000 0.00000 74 5XY 0.00000 0.01445 -0.00883 0.00000 0.00000 75 5XZ -0.00252 0.00000 0.00000 -0.00067 0.00265 76 5YZ -0.01733 -0.00001 0.00000 0.00268 0.00323 77 5 Cl 1S 0.00297 0.00013 -0.00101 0.00086 0.00015 78 2S -0.01386 -0.00123 0.00446 -0.00361 -0.00127 79 2PX 0.02249 -0.00319 -0.01038 0.00097 0.01551 80 2PY -0.03030 -0.00284 -0.00232 0.00110 -0.01788 81 2PZ 0.02525 0.00230 -0.01945 -0.00608 0.00650 82 3S 0.02872 -0.00171 -0.00634 0.00457 0.00727 83 3PX -0.05835 0.00969 0.03755 0.00333 -0.04555 84 3PY 0.08275 0.00543 0.01496 -0.00487 0.04140 85 3PZ -0.06636 -0.00484 0.04980 0.02076 -0.01601 86 4S 0.03812 0.01268 -0.01473 0.00029 0.00343 87 4PX -0.04577 0.00225 0.01996 0.00139 -0.02568 88 4PY 0.05681 0.01327 -0.00103 -0.00197 0.02059 89 4PZ -0.04950 -0.00190 0.02593 0.01054 -0.01152 90 5XX -0.00141 -0.00105 -0.00011 -0.00001 -0.00045 91 5YY -0.00054 0.00095 0.00115 -0.00010 0.00128 92 5ZZ -0.00133 -0.00190 0.00099 0.00020 -0.00080 93 5XY 0.00101 0.00019 0.00125 0.00015 -0.00105 94 5XZ -0.00213 0.00014 -0.00026 -0.00041 -0.00076 95 5YZ 0.00280 0.00057 0.00142 0.00102 0.00093 96 6 Cl 1S -0.00298 0.00012 -0.00101 -0.00086 -0.00015 97 2S 0.01387 -0.00123 0.00447 0.00361 0.00127 98 2PX 0.02249 0.00319 0.01037 0.00097 0.01551 99 2PY -0.03031 0.00283 0.00230 0.00111 -0.01788 100 2PZ -0.02525 0.00229 -0.01946 0.00607 -0.00648 101 3S -0.02873 -0.00171 -0.00635 -0.00457 -0.00728 102 3PX -0.05837 -0.00971 -0.03751 0.00333 -0.04554 103 3PY 0.08276 -0.00541 -0.01491 -0.00488 0.04142 104 3PZ 0.06636 -0.00483 0.04983 -0.02073 0.01596 105 4S -0.03816 0.01266 -0.01473 -0.00029 -0.00344 106 4PX -0.04578 -0.00226 -0.01994 0.00139 -0.02568 107 4PY 0.05683 -0.01325 0.00105 -0.00198 0.02060 108 4PZ 0.04950 -0.00189 0.02594 -0.01052 0.01149 109 5XX 0.00142 -0.00105 -0.00011 0.00001 0.00045 110 5YY 0.00054 0.00095 0.00114 0.00010 -0.00128 111 5ZZ 0.00133 -0.00190 0.00099 -0.00020 0.00080 112 5XY -0.00101 0.00019 0.00125 -0.00015 0.00105 113 5XZ -0.00213 -0.00014 0.00026 -0.00041 -0.00076 114 5YZ 0.00280 -0.00057 -0.00142 0.00102 0.00093 115 7 Br 1S -0.00005 0.00065 0.00025 0.00520 0.00180 116 2S -0.00067 -0.00304 -0.00269 -0.02547 -0.00965 117 3S 0.00210 0.00197 0.00465 0.01827 0.00843 118 4S 0.00489 0.00296 0.00912 0.02818 0.01363 119 5S -0.00162 -0.01126 -0.00007 -0.00320 -0.00841 120 6S -0.02503 0.02825 -0.03177 0.00015 0.00230 121 7PX 0.00491 -0.00065 -0.00003 0.00368 0.00592 122 7PY -0.00343 -0.00176 0.00313 0.00197 -0.00052 123 7PZ 0.00243 -0.00151 0.00729 0.00143 0.00113 124 8PX -0.01522 0.00025 -0.00382 -0.02342 -0.01355 125 8PY 0.01037 0.00532 0.01451 0.00403 0.00167 126 8PZ -0.00865 0.00350 -0.02318 -0.00912 0.00318 127 9PX 0.02852 0.00233 0.00778 0.04696 0.02276 128 9PY -0.01793 -0.00965 -0.03542 -0.01129 -0.00284 129 9PZ 0.01607 -0.00563 0.04219 0.01829 -0.00838 130 10PX 0.03497 -0.01229 0.01628 0.03787 0.01873 131 10PY -0.01545 -0.01271 -0.02378 -0.01155 -0.00437 132 10PZ 0.01566 -0.00475 0.03517 0.01737 -0.00489 133 11XX -0.00081 -0.00183 0.00136 -0.00928 -0.00446 134 11YY -0.00064 -0.00125 -0.00479 -0.01233 -0.00381 135 11ZZ -0.00049 -0.00055 -0.00180 -0.01066 -0.00510 136 11XY 0.00055 -0.00062 -0.00281 0.00100 -0.00070 137 11XZ -0.00092 0.00034 0.00023 -0.00048 -0.00166 138 11YZ 0.00025 0.00023 0.00253 0.00157 -0.00069 139 12XX -0.00063 -0.00128 0.00066 -0.00580 -0.00375 140 12YY 0.00415 -0.00443 0.00443 -0.00222 -0.00184 141 12ZZ 0.00222 -0.00747 0.00465 -0.00255 -0.00212 142 12XY 0.00013 0.00359 0.00004 0.00007 -0.00015 143 12XZ 0.00196 -0.00142 -0.00180 -0.00028 0.00136 144 12YZ -0.00064 -0.00088 -0.00085 -0.00071 -0.00023 145 8 Br 1S 0.00005 0.00065 0.00025 -0.00520 -0.00180 146 2S 0.00067 -0.00305 -0.00270 0.02547 0.00965 147 3S -0.00210 0.00198 0.00466 -0.01827 -0.00843 148 4S -0.00490 0.00296 0.00913 -0.02818 -0.01362 149 5S 0.00164 -0.01127 -0.00006 0.00320 0.00842 150 6S 0.02501 0.02827 -0.03176 -0.00015 -0.00230 151 7PX 0.00492 0.00065 0.00003 0.00368 0.00592 152 7PY -0.00343 0.00176 -0.00313 0.00197 -0.00052 153 7PZ -0.00244 -0.00151 0.00729 -0.00143 -0.00113 154 8PX -0.01524 -0.00024 0.00380 -0.02342 -0.01355 155 8PY 0.01036 -0.00532 -0.01450 0.00402 0.00167 156 8PZ 0.00866 0.00350 -0.02317 0.00913 -0.00319 157 9PX 0.02855 -0.00234 -0.00775 0.04695 0.02276 158 9PY -0.01792 0.00964 0.03540 -0.01127 -0.00284 159 9PZ -0.01608 -0.00564 0.04217 -0.01832 0.00840 160 10PX 0.03498 0.01229 -0.01626 0.03787 0.01873 161 10PY -0.01544 0.01270 0.02376 -0.01154 -0.00437 162 10PZ -0.01567 -0.00476 0.03515 -0.01739 0.00491 163 11XX 0.00081 -0.00183 0.00135 0.00928 0.00446 164 11YY 0.00065 -0.00125 -0.00479 0.01233 0.00381 165 11ZZ 0.00050 -0.00055 -0.00180 0.01066 0.00510 166 11XY -0.00055 -0.00062 -0.00281 -0.00100 0.00070 167 11XZ -0.00092 -0.00034 -0.00023 -0.00048 -0.00166 168 11YZ 0.00025 -0.00023 -0.00253 0.00157 -0.00069 169 12XX 0.00064 -0.00128 0.00066 0.00580 0.00375 170 12YY -0.00414 -0.00443 0.00443 0.00222 0.00184 171 12ZZ -0.00221 -0.00748 0.00465 0.00255 0.00212 172 12XY -0.00013 0.00359 0.00004 -0.00007 0.00015 173 12XZ 0.00196 0.00142 0.00180 -0.00028 0.00136 174 12YZ -0.00064 0.00088 0.00085 -0.00071 -0.00023 51 52 53 54 55 51 4PZ 0.11763 52 5XX 0.00234 0.00586 53 5YY 0.00170 0.00120 0.00364 54 5ZZ 0.00490 -0.00414 -0.00344 0.01340 55 5XY 0.00074 -0.00048 -0.00095 0.00021 0.00213 56 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 57 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4 Cl 1S -0.00344 -0.00035 -0.00024 0.00009 0.00003 59 2S 0.01575 0.00197 0.00136 0.00020 -0.00026 60 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 61 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 62 2PZ -0.10501 -0.01584 -0.00913 0.01125 0.00544 63 3S -0.03035 -0.00038 0.00075 -0.00562 -0.00001 64 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 65 3PY -0.00002 -0.00001 0.00000 0.00001 0.00000 66 3PZ 0.23763 0.03888 0.02104 -0.03060 -0.01446 67 4S 0.05446 0.02423 0.01322 -0.03361 -0.00883 68 4PX -0.00001 0.00000 0.00000 0.00000 0.00000 69 4PY -0.00001 0.00000 0.00000 0.00000 0.00000 70 4PZ 0.07398 0.00125 -0.00201 0.01247 -0.00331 71 5XX -0.00125 0.00371 0.00097 -0.00553 0.00022 72 5YY 0.00201 0.00097 0.00249 -0.00384 -0.00091 73 5ZZ -0.01247 -0.00553 -0.00384 0.00903 0.00108 74 5XY 0.00331 0.00022 -0.00091 0.00108 0.00096 75 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 5 Cl 1S -0.00126 0.00000 0.00016 0.00024 0.00007 78 2S 0.00478 0.00010 -0.00057 -0.00116 -0.00033 79 2PX 0.00966 -0.00252 0.00592 -0.00287 0.00017 80 2PY -0.01016 -0.00012 -0.00738 0.00377 0.00661 81 2PZ 0.00980 -0.00044 0.00283 -0.00335 -0.00303 82 3S -0.00607 -0.00033 0.00047 0.00223 0.00106 83 3PX -0.02596 0.00642 -0.01515 0.00723 -0.00041 84 3PY 0.03092 -0.00151 0.01708 -0.01110 -0.01621 85 3PZ -0.03187 0.00128 -0.00717 0.00826 0.00806 86 4S -0.00597 -0.00012 -0.00304 0.00451 0.00334 87 4PX -0.01253 0.00315 -0.00703 0.00307 -0.00045 88 4PY 0.01091 -0.00152 0.00579 -0.00224 -0.00611 89 4PZ -0.01640 0.00118 -0.00417 0.00433 0.00448 90 5XX -0.00022 -0.00007 -0.00007 -0.00003 0.00025 91 5YY 0.00172 0.00013 0.00087 -0.00063 -0.00102 92 5ZZ -0.00063 0.00004 -0.00020 -0.00006 0.00022 93 5XY -0.00099 0.00033 -0.00071 0.00026 0.00016 94 5XZ 0.00017 -0.00002 0.00005 -0.00004 -0.00007 95 5YZ -0.00081 0.00001 -0.00019 0.00030 0.00022 96 6 Cl 1S -0.00126 0.00000 0.00016 0.00024 0.00007 97 2S 0.00478 0.00010 -0.00057 -0.00116 -0.00033 98 2PX -0.00966 0.00253 -0.00592 0.00287 -0.00017 99 2PY 0.01016 0.00012 0.00738 -0.00377 -0.00661 100 2PZ 0.00979 -0.00044 0.00283 -0.00335 -0.00303 101 3S -0.00607 -0.00033 0.00047 0.00223 0.00106 102 3PX 0.02598 -0.00643 0.01515 -0.00724 0.00041 103 3PY -0.03091 0.00151 -0.01708 0.01110 0.01622 104 3PZ -0.03185 0.00129 -0.00717 0.00827 0.00807 105 4S -0.00597 -0.00012 -0.00303 0.00450 0.00334 106 4PX 0.01254 -0.00315 0.00703 -0.00307 0.00045 107 4PY -0.01090 0.00152 -0.00580 0.00225 0.00612 108 4PZ -0.01639 0.00118 -0.00417 0.00434 0.00448 109 5XX -0.00022 -0.00007 -0.00007 -0.00003 0.00025 110 5YY 0.00172 0.00013 0.00087 -0.00063 -0.00102 111 5ZZ -0.00063 0.00005 -0.00020 -0.00006 0.00022 112 5XY -0.00099 0.00033 -0.00071 0.00026 0.00016 113 5XZ -0.00017 0.00002 -0.00005 0.00004 0.00007 114 5YZ 0.00081 -0.00001 0.00019 -0.00030 -0.00022 115 7 Br 1S -0.00486 0.00023 0.00010 -0.00031 0.00013 116 2S 0.02259 -0.00119 -0.00038 0.00171 -0.00051 117 3S -0.01387 0.00095 0.00010 -0.00154 0.00017 118 4S -0.01957 0.00180 -0.00010 -0.00272 0.00011 119 5S -0.00264 0.00186 0.00014 -0.00092 0.00102 120 6S -0.01543 -0.00985 0.00312 0.00858 -0.00075 121 7PX -0.00292 -0.00488 0.00057 0.00220 -0.00197 122 7PY 0.00299 -0.00191 0.00042 -0.00030 0.00114 123 7PZ -0.00161 -0.00183 0.00070 0.00155 -0.00047 124 8PX 0.01948 0.01258 -0.00288 -0.00702 0.00566 125 8PY -0.00281 0.00431 -0.00262 -0.00069 -0.00358 126 8PZ 0.01507 0.00559 -0.00241 -0.00408 0.00115 127 9PX -0.03916 -0.02190 0.00539 0.01303 -0.01013 128 9PY 0.00293 -0.00719 0.00516 0.00164 0.00647 129 9PZ -0.03115 -0.01002 0.00442 0.00713 -0.00194 130 10PX -0.02586 -0.01362 0.00406 0.00658 -0.00747 131 10PY 0.00496 -0.00383 0.00382 -0.00027 0.00549 132 10PZ -0.02610 -0.00869 0.00404 0.00595 -0.00199 133 11XX 0.00771 -0.00076 0.00000 0.00088 -0.00029 134 11YY 0.00912 -0.00057 -0.00016 0.00079 -0.00003 135 11ZZ 0.01042 -0.00024 -0.00025 0.00071 -0.00021 136 11XY -0.00128 -0.00037 0.00020 0.00027 0.00006 137 11XZ -0.00192 0.00020 0.00013 0.00010 0.00008 138 11YZ 0.00016 0.00000 -0.00012 0.00000 -0.00005 139 12XX 0.00644 0.00219 -0.00075 -0.00107 0.00060 140 12YY 0.00327 0.00081 -0.00037 -0.00061 -0.00036 141 12ZZ 0.00343 0.00077 -0.00014 -0.00096 0.00000 142 12XY 0.00045 0.00063 -0.00044 0.00014 -0.00030 143 12XZ 0.00112 0.00046 -0.00022 -0.00045 0.00016 144 12YZ 0.00057 0.00016 -0.00006 -0.00023 0.00005 145 8 Br 1S -0.00487 0.00023 0.00010 -0.00031 0.00013 146 2S 0.02260 -0.00119 -0.00038 0.00171 -0.00052 147 3S -0.01387 0.00095 0.00010 -0.00154 0.00017 148 4S -0.01958 0.00180 -0.00010 -0.00272 0.00011 149 5S -0.00264 0.00186 0.00014 -0.00092 0.00102 150 6S -0.01543 -0.00986 0.00311 0.00858 -0.00075 151 7PX 0.00292 0.00488 -0.00057 -0.00220 0.00197 152 7PY -0.00299 0.00191 -0.00042 0.00030 -0.00114 153 7PZ -0.00162 -0.00183 0.00070 0.00155 -0.00047 154 8PX -0.01949 -0.01258 0.00288 0.00702 -0.00567 155 8PY 0.00281 -0.00431 0.00262 0.00069 0.00358 156 8PZ 0.01508 0.00559 -0.00241 -0.00408 0.00115 157 9PX 0.03917 0.02190 -0.00539 -0.01303 0.01014 158 9PY -0.00291 0.00720 -0.00516 -0.00164 -0.00646 159 9PZ -0.03116 -0.01002 0.00441 0.00713 -0.00194 160 10PX 0.02586 0.01362 -0.00406 -0.00657 0.00748 161 10PY -0.00495 0.00383 -0.00382 0.00027 -0.00549 162 10PZ -0.02611 -0.00869 0.00404 0.00595 -0.00199 163 11XX 0.00771 -0.00076 0.00000 0.00088 -0.00029 164 11YY 0.00912 -0.00057 -0.00016 0.00079 -0.00003 165 11ZZ 0.01042 -0.00024 -0.00025 0.00071 -0.00021 166 11XY -0.00128 -0.00037 0.00020 0.00027 0.00006 167 11XZ 0.00192 -0.00020 -0.00013 -0.00010 -0.00008 168 11YZ -0.00016 0.00000 0.00012 0.00000 0.00005 169 12XX 0.00644 0.00219 -0.00075 -0.00107 0.00060 170 12YY 0.00328 0.00082 -0.00037 -0.00061 -0.00036 171 12ZZ 0.00343 0.00077 -0.00014 -0.00096 0.00001 172 12XY 0.00045 0.00063 -0.00044 0.00014 -0.00030 173 12XZ -0.00112 -0.00046 0.00022 0.00045 -0.00016 174 12YZ -0.00057 -0.00016 0.00006 0.00023 -0.00005 56 57 58 59 60 56 5XZ 0.00898 57 5YZ -0.00030 0.00858 58 4 Cl 1S 0.00000 0.00000 2.16066 59 2S 0.00000 0.00000 -0.61871 2.39686 60 2PX -0.00585 -0.00079 0.00000 0.00000 2.13265 61 2PY -0.00086 -0.00699 0.00000 0.00000 -0.00253 62 2PZ 0.00000 0.00000 0.00102 -0.00779 0.00000 63 3S 0.00000 0.00000 0.04048 -0.41993 -0.00001 64 3PX 0.01374 0.00247 0.00000 0.00000 -0.36509 65 3PY 0.00252 0.01733 0.00000 -0.00001 -0.00029 66 3PZ -0.00001 0.00000 0.00052 0.00316 -0.00001 67 4S 0.00000 0.00000 0.03712 -0.13170 -0.00004 68 4PX 0.00067 -0.00268 0.00000 -0.00001 -0.08584 69 4PY -0.00265 -0.00323 0.00000 0.00000 -0.03329 70 4PZ 0.00000 -0.00001 0.01546 -0.07208 0.00000 71 5XX 0.00000 0.00000 0.02772 -0.04648 0.00001 72 5YY 0.00000 0.00000 0.02454 -0.03191 0.00000 73 5ZZ 0.00000 0.00000 0.02728 -0.04524 0.00000 74 5XY 0.00000 0.00000 -0.00271 0.01230 0.00000 75 5XZ -0.00297 -0.00078 0.00000 0.00000 0.02938 76 5YZ -0.00078 -0.00412 0.00000 0.00000 0.00135 77 5 Cl 1S 0.00002 0.00020 -0.00011 0.00064 0.00046 78 2S -0.00005 -0.00105 0.00040 -0.00245 -0.00207 79 2PX 0.00125 0.00041 -0.00112 0.00485 -0.00020 80 2PY -0.00036 0.00046 0.00184 -0.00868 -0.00623 81 2PZ -0.00146 0.00233 0.00151 -0.00625 -0.00374 82 3S -0.00060 0.00290 -0.00110 0.00639 0.00478 83 3PX -0.00268 -0.00145 0.00292 -0.01286 0.00037 84 3PY 0.00011 -0.00002 -0.00468 0.02118 0.01625 85 3PZ 0.00418 -0.00590 -0.00393 0.01622 0.00978 86 4S -0.00001 0.00513 0.00109 -0.00478 -0.00080 87 4PX -0.00129 -0.00261 0.00114 -0.00504 0.00000 88 4PY -0.00010 0.00254 -0.00148 0.00634 0.00613 89 4PZ 0.00280 -0.00405 -0.00223 0.00942 0.00797 90 5XX -0.00014 -0.00006 -0.00001 0.00011 0.00025 91 5YY 0.00027 -0.00055 -0.00014 0.00053 -0.00033 92 5ZZ -0.00003 0.00002 0.00005 -0.00016 -0.00031 93 5XY -0.00010 0.00033 0.00009 -0.00028 0.00011 94 5XZ 0.00000 -0.00012 0.00001 -0.00001 -0.00013 95 5YZ 0.00005 0.00011 -0.00016 0.00058 0.00010 96 6 Cl 1S -0.00002 -0.00021 -0.00011 0.00064 -0.00046 97 2S 0.00005 0.00106 0.00040 -0.00245 0.00207 98 2PX 0.00125 0.00040 0.00112 -0.00485 -0.00020 99 2PY -0.00036 0.00046 -0.00184 0.00868 -0.00623 100 2PZ 0.00146 -0.00233 0.00151 -0.00625 0.00375 101 3S 0.00060 -0.00290 -0.00110 0.00639 -0.00478 102 3PX -0.00268 -0.00145 -0.00292 0.01287 0.00037 103 3PY 0.00011 -0.00003 0.00468 -0.02118 0.01625 104 3PZ -0.00419 0.00590 -0.00393 0.01622 -0.00978 105 4S 0.00002 -0.00513 0.00109 -0.00478 0.00080 106 4PX -0.00129 -0.00261 -0.00114 0.00504 0.00000 107 4PY -0.00010 0.00254 0.00148 -0.00634 0.00613 108 4PZ -0.00280 0.00405 -0.00223 0.00942 -0.00797 109 5XX 0.00014 0.00006 -0.00001 0.00011 -0.00025 110 5YY -0.00027 0.00055 -0.00014 0.00053 0.00033 111 5ZZ 0.00003 -0.00002 0.00005 -0.00016 0.00031 112 5XY 0.00010 -0.00033 0.00009 -0.00028 -0.00011 113 5XZ 0.00000 -0.00012 -0.00001 0.00001 -0.00013 114 5YZ 0.00005 0.00011 0.00016 -0.00058 0.00010 115 7 Br 1S 0.00070 0.00001 0.00005 -0.00021 -0.00079 116 2S -0.00357 -0.00020 -0.00043 0.00172 0.00519 117 3S 0.00282 0.00037 0.00063 -0.00251 -0.00596 118 4S 0.00492 0.00086 0.00086 -0.00400 -0.01132 119 5S -0.00084 0.00008 -0.00192 0.01014 0.00751 120 6S -0.00617 -0.00462 0.00373 -0.01578 0.01378 121 7PX -0.00081 0.00041 0.00089 -0.00406 -0.00547 122 7PY 0.00009 -0.00039 0.00009 -0.00081 -0.00110 123 7PZ 0.00092 0.00014 -0.00059 0.00240 0.00325 124 8PX 0.00037 -0.00079 -0.00273 0.01210 0.01746 125 8PY -0.00029 0.00114 -0.00032 0.00162 0.00374 126 8PZ -0.00330 0.00002 0.00182 -0.00742 -0.01024 127 9PX 0.00035 0.00138 0.00508 -0.02242 -0.03237 128 9PY 0.00075 -0.00196 0.00054 -0.00246 -0.00733 129 9PZ 0.00610 -0.00020 -0.00333 0.01365 0.01832 130 10PX 0.00271 0.00285 0.00270 -0.01143 -0.03202 131 10PY 0.00047 -0.00153 0.00012 -0.00023 -0.00390 132 10PZ 0.00619 -0.00012 -0.00289 0.01204 0.02266 133 11XX -0.00165 -0.00020 -0.00031 0.00089 0.00310 134 11YY -0.00151 -0.00007 -0.00038 0.00123 0.00247 135 11ZZ -0.00147 -0.00013 -0.00042 0.00140 0.00277 136 11XY -0.00018 0.00002 0.00006 -0.00018 0.00007 137 11XZ -0.00001 -0.00007 -0.00002 -0.00005 -0.00064 138 11YZ 0.00012 -0.00001 -0.00002 0.00015 -0.00009 139 12XX 0.00050 0.00021 -0.00089 0.00333 0.00056 140 12YY 0.00027 0.00065 -0.00062 0.00268 -0.00166 141 12ZZ 0.00011 0.00047 -0.00075 0.00326 -0.00083 142 12XY 0.00044 -0.00001 0.00009 -0.00061 -0.00125 143 12XZ -0.00021 0.00016 0.00043 -0.00171 -0.00146 144 12YZ -0.00026 0.00001 0.00021 -0.00092 -0.00129 145 8 Br 1S -0.00070 -0.00001 0.00005 -0.00021 0.00079 146 2S 0.00357 0.00020 -0.00043 0.00171 -0.00519 147 3S -0.00282 -0.00037 0.00063 -0.00251 0.00596 148 4S -0.00492 -0.00086 0.00086 -0.00400 0.01132 149 5S 0.00084 -0.00008 -0.00192 0.01014 -0.00751 150 6S 0.00617 0.00462 0.00373 -0.01579 -0.01377 151 7PX -0.00081 0.00041 -0.00089 0.00406 -0.00547 152 7PY 0.00009 -0.00039 -0.00009 0.00081 -0.00110 153 7PZ -0.00092 -0.00014 -0.00059 0.00240 -0.00325 154 8PX 0.00037 -0.00079 0.00273 -0.01209 0.01746 155 8PY -0.00029 0.00114 0.00032 -0.00162 0.00374 156 8PZ 0.00330 -0.00002 0.00182 -0.00742 0.01024 157 9PX 0.00035 0.00138 -0.00508 0.02242 -0.03237 158 9PY 0.00075 -0.00196 -0.00055 0.00246 -0.00734 159 9PZ -0.00610 0.00020 -0.00333 0.01364 -0.01832 160 10PX 0.00271 0.00285 -0.00270 0.01143 -0.03201 161 10PY 0.00047 -0.00153 -0.00012 0.00023 -0.00390 162 10PZ -0.00619 0.00012 -0.00289 0.01203 -0.02266 163 11XX 0.00165 0.00020 -0.00031 0.00089 -0.00310 164 11YY 0.00151 0.00007 -0.00038 0.00123 -0.00247 165 11ZZ 0.00147 0.00013 -0.00042 0.00140 -0.00277 166 11XY 0.00018 -0.00002 0.00006 -0.00018 -0.00007 167 11XZ -0.00001 -0.00007 0.00002 0.00005 -0.00064 168 11YZ 0.00012 -0.00001 0.00002 -0.00015 -0.00009 169 12XX -0.00050 -0.00021 -0.00089 0.00333 -0.00056 170 12YY -0.00027 -0.00065 -0.00062 0.00268 0.00166 171 12ZZ -0.00011 -0.00047 -0.00075 0.00326 0.00083 172 12XY -0.00044 0.00001 0.00009 -0.00061 0.00125 173 12XZ -0.00021 0.00016 -0.00043 0.00171 -0.00146 174 12YZ -0.00026 0.00001 -0.00021 0.00092 -0.00129 61 62 63 64 65 61 2PY 2.12913 62 2PZ 0.00000 2.14552 63 3S 0.00000 -0.01030 1.15413 64 3PX -0.00028 -0.00001 0.00002 1.10690 65 3PY -0.36570 0.00001 0.00001 -0.00017 1.10652 66 3PZ 0.00001 -0.39983 0.04503 0.00002 -0.00002 67 4S 0.00000 -0.25152 0.20676 0.00008 0.00001 68 4PX -0.03431 0.00000 0.00002 0.16418 0.08719 69 4PY -0.13418 0.00001 0.00001 0.08522 0.28847 70 4PZ 0.00001 -0.09852 0.15229 0.00000 -0.00004 71 5XX 0.00000 -0.01134 0.02174 -0.00002 0.00000 72 5YY 0.00000 -0.00884 -0.00940 0.00001 0.00000 73 5ZZ 0.00000 0.03022 0.01206 0.00001 0.00000 74 5XY 0.00001 0.00203 -0.02669 0.00000 -0.00002 75 5XZ 0.00144 0.00000 0.00000 -0.09411 0.00251 76 5YZ 0.03144 0.00000 0.00000 0.00262 -0.09055 77 5 Cl 1S -0.00125 -0.00004 -0.00053 -0.00090 0.00298 78 2S 0.00569 -0.00008 0.00208 0.00433 -0.01388 79 2PX -0.00786 -0.00136 -0.01210 0.00145 0.02250 80 2PY 0.01137 -0.00033 0.01891 0.01527 -0.03032 81 2PZ 0.00828 -0.00094 0.01693 0.00899 -0.02524 82 3S -0.01237 -0.00125 -0.00559 -0.00947 0.02875 83 3PX 0.02043 0.00389 0.03058 -0.00333 -0.05839 84 3PY -0.03015 0.00051 -0.04933 -0.04118 0.08280 85 3PZ -0.02146 0.00234 -0.04380 -0.02321 0.06634 86 4S -0.01216 0.00436 0.00720 -0.00343 0.03817 87 4PX 0.01640 0.00181 0.01463 -0.00002 -0.04579 88 4PY -0.02190 0.00501 -0.01763 -0.01944 0.05686 89 4PZ -0.01840 -0.00078 -0.02511 -0.01965 0.04948 90 5XX 0.00057 -0.00037 -0.00003 -0.00040 -0.00142 91 5YY 0.00058 0.00070 -0.00197 -0.00010 -0.00054 92 5ZZ 0.00054 -0.00062 0.00080 0.00093 -0.00133 93 5XY -0.00026 0.00019 0.00082 -0.00051 0.00101 94 5XZ -0.00066 -0.00002 -0.00007 0.00018 0.00213 95 5YZ 0.00083 -0.00039 -0.00135 -0.00009 -0.00280 96 6 Cl 1S 0.00125 -0.00004 -0.00053 0.00090 -0.00298 97 2S -0.00569 -0.00008 0.00208 -0.00433 0.01388 98 2PX -0.00786 0.00136 0.01210 0.00145 0.02250 99 2PY 0.01137 0.00033 -0.01890 0.01527 -0.03032 100 2PZ -0.00828 -0.00094 0.01693 -0.00899 0.02525 101 3S 0.01237 -0.00125 -0.00559 0.00947 -0.02874 102 3PX 0.02043 -0.00389 -0.03057 -0.00332 -0.05839 103 3PY -0.03015 -0.00052 0.04932 -0.04119 0.08279 104 3PZ 0.02146 0.00234 -0.04380 0.02322 -0.06635 105 4S 0.01215 0.00436 0.00720 0.00342 -0.03817 106 4PX 0.01640 -0.00181 -0.01463 -0.00002 -0.04580 107 4PY -0.02190 -0.00502 0.01762 -0.01944 0.05685 108 4PZ 0.01840 -0.00078 -0.02511 0.01965 -0.04948 109 5XX -0.00057 -0.00037 -0.00003 0.00040 0.00142 110 5YY -0.00058 0.00070 -0.00196 0.00010 0.00054 111 5ZZ -0.00054 -0.00062 0.00080 -0.00093 0.00133 112 5XY 0.00026 0.00019 0.00082 0.00051 -0.00101 113 5XZ -0.00066 0.00002 0.00007 0.00018 0.00213 114 5YZ 0.00083 0.00039 0.00135 -0.00009 -0.00280 115 7 Br 1S -0.00009 0.00013 0.00063 0.00231 -0.00005 116 2S 0.00092 -0.00050 -0.00361 -0.01405 -0.00067 117 3S -0.00151 0.00003 0.00350 0.01475 0.00210 118 4S -0.00242 0.00084 0.00546 0.02859 0.00489 119 5S 0.00075 -0.00340 -0.01191 -0.01384 -0.00163 120 6S 0.00769 0.00589 0.02297 -0.04954 -0.02500 121 7PX -0.00157 0.00007 0.00988 0.01405 0.00491 122 7PY 0.00116 -0.00054 0.00050 0.00236 -0.00343 123 7PZ 0.00060 0.00053 -0.00679 -0.00917 -0.00244 124 8PX 0.00492 -0.00052 -0.02960 -0.04697 -0.01522 125 8PY -0.00354 0.00165 -0.00310 -0.00947 0.01036 126 8PZ -0.00207 -0.00143 0.02078 0.02956 0.00866 127 9PX -0.00908 0.00174 0.05446 0.08845 0.02852 128 9PY 0.00615 -0.00295 0.00643 0.01952 -0.01792 129 9PZ 0.00353 0.00270 -0.03782 -0.05379 -0.01608 130 10PX -0.01346 -0.00369 0.03421 0.08831 0.03495 131 10PY 0.00464 -0.00538 0.00094 0.01038 -0.01544 132 10PZ 0.00496 0.00032 -0.03338 -0.06044 -0.01567 133 11XX 0.00081 -0.00020 -0.00129 -0.00736 -0.00081 134 11YY 0.00074 0.00003 -0.00168 -0.00605 -0.00064 135 11ZZ 0.00068 0.00030 -0.00245 -0.00695 -0.00049 136 11XY -0.00019 -0.00024 0.00083 0.00001 0.00055 137 11XZ -0.00034 -0.00011 -0.00023 0.00155 0.00092 138 11YZ 0.00009 -0.00009 0.00003 0.00022 -0.00025 139 12XX 0.00126 0.00077 -0.00628 0.00043 -0.00064 140 12YY -0.00115 -0.00023 -0.00333 0.00440 0.00415 141 12ZZ -0.00042 -0.00173 -0.00365 0.00393 0.00222 142 12XY 0.00025 0.00201 0.00015 0.00137 0.00014 143 12XZ 0.00047 0.00098 0.00320 0.00114 -0.00196 144 12YZ -0.00026 0.00058 0.00212 0.00304 0.00064 145 8 Br 1S 0.00009 0.00013 0.00063 -0.00231 0.00005 146 2S -0.00092 -0.00050 -0.00361 0.01405 0.00067 147 3S 0.00151 0.00003 0.00350 -0.01475 -0.00210 148 4S 0.00242 0.00084 0.00546 -0.02858 -0.00489 149 5S -0.00075 -0.00340 -0.01191 0.01384 0.00163 150 6S -0.00768 0.00591 0.02299 0.04952 0.02501 151 7PX -0.00158 -0.00007 -0.00987 0.01405 0.00492 152 7PY 0.00116 0.00054 -0.00050 0.00236 -0.00343 153 7PZ -0.00060 0.00053 -0.00678 0.00917 0.00244 154 8PX 0.00492 0.00052 0.02960 -0.04697 -0.01523 155 8PY -0.00354 -0.00165 0.00311 -0.00948 0.01036 156 8PZ 0.00208 -0.00143 0.02078 -0.02956 -0.00866 157 9PX -0.00909 -0.00174 -0.05445 0.08844 0.02854 158 9PY 0.00615 0.00295 -0.00644 0.01954 -0.01792 159 9PZ -0.00354 0.00270 -0.03782 0.05380 0.01609 160 10PX -0.01347 0.00369 -0.03420 0.08829 0.03497 161 10PY 0.00464 0.00539 -0.00094 0.01039 -0.01544 162 10PZ -0.00496 0.00033 -0.03337 0.06044 0.01568 163 11XX -0.00081 -0.00020 -0.00129 0.00736 0.00081 164 11YY -0.00074 0.00003 -0.00168 0.00605 0.00064 165 11ZZ -0.00068 0.00030 -0.00245 0.00694 0.00049 166 11XY 0.00019 -0.00024 0.00083 -0.00001 -0.00055 167 11XZ -0.00034 0.00011 0.00023 0.00154 0.00092 168 11YZ 0.00009 0.00009 -0.00003 0.00022 -0.00025 169 12XX -0.00127 0.00077 -0.00628 -0.00043 0.00063 170 12YY 0.00115 -0.00023 -0.00333 -0.00440 -0.00415 171 12ZZ 0.00042 -0.00173 -0.00365 -0.00393 -0.00222 172 12XY -0.00025 0.00200 0.00015 -0.00137 -0.00014 173 12XZ 0.00047 -0.00098 -0.00320 0.00114 -0.00196 174 12YZ -0.00026 -0.00058 -0.00212 0.00304 0.00064 66 67 68 69 70 66 3PZ 1.20762 67 4S 0.46267 0.27436 68 4PX 0.00000 0.00001 0.04100 69 4PY -0.00003 0.00000 0.04038 0.09788 70 4PZ 0.26120 0.09345 0.00000 -0.00002 0.11763 71 5XX 0.02165 0.02126 0.00000 0.00000 -0.00234 72 5YY 0.02544 0.01385 0.00000 0.00000 -0.00170 73 5ZZ -0.09691 -0.04379 0.00000 0.00000 -0.00490 74 5XY 0.00287 -0.00628 0.00000 0.00000 -0.00073 75 5XZ -0.00001 -0.00001 -0.01205 -0.00526 0.00000 76 5YZ 0.00000 0.00000 -0.00535 -0.01975 0.00000 77 5 Cl 1S -0.00013 -0.00101 0.00086 0.00015 0.00126 78 2S 0.00123 0.00446 -0.00361 -0.00128 -0.00478 79 2PX 0.00319 -0.01036 0.00097 0.01551 -0.00967 80 2PY 0.00283 -0.00229 0.00111 -0.01789 0.01016 81 2PZ 0.00230 0.01945 0.00607 -0.00646 0.00979 82 3S 0.00171 -0.00634 0.00457 0.00728 0.00607 83 3PX -0.00971 0.03747 0.00332 -0.04555 0.02600 84 3PY -0.00541 0.01489 -0.00489 0.04143 -0.03092 85 3PZ -0.00485 -0.04981 -0.02073 0.01592 -0.03185 86 4S -0.01267 -0.01473 0.00030 0.00345 0.00597 87 4PX -0.00226 0.01992 0.00139 -0.02568 0.01255 88 4PY -0.01325 -0.00106 -0.00198 0.02061 -0.01091 89 4PZ -0.00190 -0.02593 -0.01052 0.01147 -0.01639 90 5XX 0.00105 -0.00011 -0.00001 -0.00045 0.00022 91 5YY -0.00095 0.00114 -0.00010 0.00128 -0.00172 92 5ZZ 0.00190 0.00099 0.00020 -0.00080 0.00063 93 5XY -0.00019 0.00125 0.00015 -0.00105 0.00099 94 5XZ 0.00014 0.00026 0.00041 0.00076 0.00017 95 5YZ 0.00057 -0.00142 -0.00102 -0.00093 -0.00081 96 6 Cl 1S -0.00013 -0.00101 -0.00086 -0.00015 0.00127 97 2S 0.00123 0.00447 0.00361 0.00127 -0.00478 98 2PX -0.00319 0.01037 0.00097 0.01551 0.00967 99 2PY -0.00284 0.00230 0.00111 -0.01789 -0.01016 100 2PZ 0.00230 0.01945 -0.00607 0.00647 0.00979 101 3S 0.00170 -0.00635 -0.00456 -0.00728 0.00607 102 3PX 0.00970 -0.03750 0.00333 -0.04555 -0.02600 103 3PY 0.00543 -0.01490 -0.00488 0.04143 0.03092 104 3PZ -0.00485 -0.04981 0.02071 -0.01594 -0.03185 105 4S -0.01266 -0.01473 -0.00029 -0.00344 0.00597 106 4PX 0.00226 -0.01993 0.00139 -0.02569 -0.01255 107 4PY 0.01327 0.00106 -0.00198 0.02061 0.01091 108 4PZ -0.00189 -0.02593 0.01051 -0.01148 -0.01639 109 5XX 0.00105 -0.00011 0.00001 0.00045 0.00022 110 5YY -0.00095 0.00114 0.00010 -0.00128 -0.00172 111 5ZZ 0.00190 0.00099 -0.00020 0.00080 0.00063 112 5XY -0.00019 0.00125 -0.00015 0.00105 0.00099 113 5XZ -0.00014 -0.00026 0.00041 0.00076 -0.00017 114 5YZ -0.00057 0.00142 -0.00102 -0.00093 0.00081 115 7 Br 1S -0.00065 0.00025 0.00521 0.00180 0.00486 116 2S 0.00304 -0.00270 -0.02548 -0.00964 -0.02257 117 3S -0.00198 0.00466 0.01828 0.00842 0.01385 118 4S -0.00296 0.00913 0.02819 0.01361 0.01955 119 5S 0.01126 -0.00007 -0.00320 -0.00842 0.00264 120 6S -0.02825 -0.03175 0.00015 0.00230 0.01543 121 7PX 0.00065 -0.00003 0.00368 0.00591 0.00292 122 7PY 0.00176 0.00312 0.00197 -0.00052 -0.00299 123 7PZ -0.00151 -0.00730 -0.00143 -0.00113 -0.00162 124 8PX -0.00025 -0.00381 -0.02341 -0.01354 -0.01948 125 8PY -0.00532 0.01452 0.00403 0.00167 0.00280 126 8PZ 0.00349 0.02319 0.00913 -0.00319 0.01508 127 9PX -0.00233 0.00777 0.04695 0.02275 0.03915 128 9PY 0.00964 -0.03543 -0.01128 -0.00284 -0.00291 129 9PZ -0.00562 -0.04221 -0.01833 0.00840 -0.03115 130 10PX 0.01229 0.01627 0.03786 0.01872 0.02585 131 10PY 0.01270 -0.02380 -0.01155 -0.00437 -0.00494 132 10PZ -0.00475 -0.03519 -0.01740 0.00491 -0.02610 133 11XX 0.00183 0.00135 -0.00928 -0.00446 -0.00770 134 11YY 0.00125 -0.00479 -0.01234 -0.00381 -0.00911 135 11ZZ 0.00055 -0.00180 -0.01066 -0.00509 -0.01041 136 11XY 0.00062 -0.00281 0.00100 -0.00070 0.00128 137 11XZ 0.00034 -0.00024 0.00047 0.00166 -0.00192 138 11YZ 0.00023 -0.00253 -0.00157 0.00069 0.00016 139 12XX 0.00128 0.00066 -0.00580 -0.00375 -0.00643 140 12YY 0.00443 0.00443 -0.00222 -0.00184 -0.00327 141 12ZZ 0.00747 0.00464 -0.00255 -0.00212 -0.00343 142 12XY -0.00359 0.00004 0.00007 -0.00015 -0.00045 143 12XZ -0.00142 0.00180 0.00028 -0.00136 0.00112 144 12YZ -0.00088 0.00085 0.00071 0.00023 0.00057 145 8 Br 1S -0.00065 0.00025 -0.00520 -0.00180 0.00486 146 2S 0.00304 -0.00270 0.02547 0.00966 -0.02257 147 3S -0.00198 0.00466 -0.01827 -0.00844 0.01385 148 4S -0.00296 0.00912 -0.02818 -0.01364 0.01955 149 5S 0.01127 -0.00006 0.00319 0.00842 0.00265 150 6S -0.02828 -0.03177 -0.00015 -0.00230 0.01543 151 7PX -0.00065 0.00004 0.00368 0.00592 -0.00292 152 7PY -0.00176 -0.00312 0.00197 -0.00052 0.00299 153 7PZ -0.00151 -0.00729 0.00144 0.00113 -0.00162 154 8PX 0.00024 0.00380 -0.02341 -0.01355 0.01948 155 8PY 0.00532 -0.01454 0.00403 0.00167 -0.00280 156 8PZ 0.00350 0.02317 -0.00914 0.00318 0.01509 157 9PX 0.00234 -0.00775 0.04694 0.02277 -0.03916 158 9PY -0.00964 0.03546 -0.01128 -0.00284 0.00290 159 9PZ -0.00563 -0.04216 0.01834 -0.00838 -0.03118 160 10PX -0.01229 -0.01625 0.03786 0.01873 -0.02585 161 10PY -0.01271 0.02381 -0.01154 -0.00437 0.00494 162 10PZ -0.00476 -0.03514 0.01742 -0.00490 -0.02612 163 11XX 0.00183 0.00136 0.00928 0.00447 -0.00770 164 11YY 0.00125 -0.00479 0.01234 0.00382 -0.00911 165 11ZZ 0.00055 -0.00180 0.01066 0.00511 -0.01041 166 11XY 0.00062 -0.00281 -0.00100 0.00070 0.00128 167 11XZ -0.00034 0.00023 0.00047 0.00166 0.00192 168 11YZ -0.00023 0.00252 -0.00157 0.00069 -0.00016 169 12XX 0.00128 0.00067 0.00580 0.00375 -0.00643 170 12YY 0.00444 0.00443 0.00222 0.00184 -0.00327 171 12ZZ 0.00748 0.00465 0.00255 0.00212 -0.00343 172 12XY -0.00359 0.00004 -0.00007 0.00015 -0.00045 173 12XZ 0.00142 -0.00180 0.00028 -0.00136 -0.00112 174 12YZ 0.00088 -0.00085 0.00071 0.00023 -0.00057 71 72 73 74 75 71 5XX 0.00586 72 5YY 0.00120 0.00364 73 5ZZ -0.00414 -0.00344 0.01340 74 5XY -0.00048 -0.00095 0.00021 0.00213 75 5XZ 0.00000 0.00000 0.00000 0.00000 0.00898 76 5YZ 0.00000 0.00000 0.00000 0.00000 -0.00030 77 5 Cl 1S 0.00000 0.00016 0.00024 0.00007 -0.00002 78 2S 0.00010 -0.00057 -0.00116 -0.00033 0.00005 79 2PX -0.00253 0.00592 -0.00287 0.00017 -0.00125 80 2PY -0.00012 -0.00738 0.00377 0.00661 0.00036 81 2PZ 0.00044 -0.00283 0.00335 0.00303 -0.00146 82 3S -0.00033 0.00047 0.00223 0.00106 0.00060 83 3PX 0.00643 -0.01515 0.00724 -0.00041 0.00268 84 3PY -0.00151 0.01709 -0.01111 -0.01622 -0.00011 85 3PZ -0.00129 0.00717 -0.00827 -0.00806 0.00419 86 4S -0.00012 -0.00303 0.00450 0.00334 0.00002 87 4PX 0.00315 -0.00703 0.00307 -0.00045 0.00129 88 4PY -0.00152 0.00580 -0.00225 -0.00612 0.00011 89 4PZ -0.00118 0.00417 -0.00434 -0.00448 0.00280 90 5XX -0.00007 -0.00007 -0.00003 0.00025 0.00014 91 5YY 0.00013 0.00087 -0.00063 -0.00102 -0.00027 92 5ZZ 0.00005 -0.00020 -0.00006 0.00022 0.00003 93 5XY 0.00033 -0.00071 0.00026 0.00016 0.00010 94 5XZ 0.00002 -0.00005 0.00004 0.00006 0.00000 95 5YZ -0.00001 0.00019 -0.00030 -0.00022 0.00005 96 6 Cl 1S 0.00000 0.00016 0.00024 0.00007 0.00002 97 2S 0.00010 -0.00057 -0.00116 -0.00033 -0.00005 98 2PX 0.00253 -0.00592 0.00287 -0.00017 -0.00125 99 2PY 0.00013 0.00738 -0.00377 -0.00661 0.00036 100 2PZ 0.00044 -0.00283 0.00335 0.00303 0.00146 101 3S -0.00033 0.00047 0.00223 0.00106 -0.00060 102 3PX -0.00643 0.01515 -0.00724 0.00041 0.00268 103 3PY 0.00151 -0.01708 0.01111 0.01622 -0.00011 104 3PZ -0.00129 0.00716 -0.00827 -0.00806 -0.00419 105 4S -0.00012 -0.00303 0.00450 0.00334 -0.00002 106 4PX -0.00315 0.00703 -0.00307 0.00045 0.00129 107 4PY 0.00152 -0.00579 0.00225 0.00612 0.00011 108 4PZ -0.00118 0.00417 -0.00434 -0.00448 -0.00281 109 5XX -0.00007 -0.00007 -0.00003 0.00025 -0.00014 110 5YY 0.00013 0.00087 -0.00063 -0.00102 0.00027 111 5ZZ 0.00005 -0.00020 -0.00006 0.00022 -0.00003 112 5XY 0.00033 -0.00071 0.00026 0.00016 -0.00010 113 5XZ -0.00002 0.00005 -0.00004 -0.00007 0.00000 114 5YZ 0.00001 -0.00019 0.00030 0.00022 0.00005 115 7 Br 1S 0.00023 0.00010 -0.00031 0.00013 -0.00070 116 2S -0.00119 -0.00038 0.00171 -0.00051 0.00357 117 3S 0.00095 0.00010 -0.00154 0.00017 -0.00282 118 4S 0.00180 -0.00010 -0.00272 0.00011 -0.00492 119 5S 0.00186 0.00014 -0.00092 0.00102 0.00084 120 6S -0.00985 0.00312 0.00858 -0.00075 0.00617 121 7PX -0.00488 0.00057 0.00220 -0.00197 0.00081 122 7PY -0.00191 0.00042 -0.00030 0.00114 -0.00009 123 7PZ 0.00183 -0.00070 -0.00155 0.00047 0.00092 124 8PX 0.01258 -0.00288 -0.00702 0.00566 -0.00037 125 8PY 0.00431 -0.00262 -0.00069 -0.00358 0.00029 126 8PZ -0.00559 0.00241 0.00408 -0.00115 -0.00330 127 9PX -0.02190 0.00539 0.01303 -0.01013 -0.00034 128 9PY -0.00719 0.00516 0.00164 0.00646 -0.00074 129 9PZ 0.01002 -0.00441 -0.00713 0.00194 0.00610 130 10PX -0.01362 0.00406 0.00657 -0.00747 -0.00271 131 10PY -0.00382 0.00382 -0.00027 0.00549 -0.00047 132 10PZ 0.00870 -0.00404 -0.00595 0.00199 0.00618 133 11XX -0.00076 0.00000 0.00088 -0.00029 0.00165 134 11YY -0.00057 -0.00016 0.00079 -0.00003 0.00151 135 11ZZ -0.00024 -0.00025 0.00071 -0.00021 0.00147 136 11XY -0.00037 0.00020 0.00027 0.00006 0.00018 137 11XZ -0.00020 -0.00013 -0.00010 -0.00008 -0.00001 138 11YZ 0.00000 0.00012 0.00000 0.00005 0.00012 139 12XX 0.00219 -0.00075 -0.00107 0.00060 -0.00050 140 12YY 0.00081 -0.00037 -0.00061 -0.00036 -0.00027 141 12ZZ 0.00077 -0.00014 -0.00096 0.00000 -0.00011 142 12XY 0.00063 -0.00044 0.00014 -0.00030 -0.00044 143 12XZ -0.00046 0.00022 0.00045 -0.00016 -0.00021 144 12YZ -0.00016 0.00006 0.00023 -0.00005 -0.00026 145 8 Br 1S 0.00023 0.00010 -0.00031 0.00013 0.00070 146 2S -0.00119 -0.00038 0.00171 -0.00052 -0.00357 147 3S 0.00096 0.00010 -0.00154 0.00017 0.00282 148 4S 0.00181 -0.00010 -0.00272 0.00011 0.00491 149 5S 0.00186 0.00014 -0.00092 0.00102 -0.00084 150 6S -0.00986 0.00312 0.00858 -0.00075 -0.00616 151 7PX 0.00488 -0.00057 -0.00220 0.00197 0.00081 152 7PY 0.00191 -0.00042 0.00030 -0.00114 -0.00009 153 7PZ 0.00183 -0.00070 -0.00155 0.00047 -0.00092 154 8PX -0.01258 0.00287 0.00702 -0.00566 -0.00037 155 8PY -0.00431 0.00262 0.00069 0.00358 0.00029 156 8PZ -0.00559 0.00241 0.00408 -0.00115 0.00330 157 9PX 0.02189 -0.00539 -0.01303 0.01014 -0.00035 158 9PY 0.00719 -0.00516 -0.00164 -0.00646 -0.00075 159 9PZ 0.01002 -0.00441 -0.00713 0.00194 -0.00610 160 10PX 0.01361 -0.00405 -0.00657 0.00748 -0.00271 161 10PY 0.00383 -0.00382 0.00027 -0.00549 -0.00047 162 10PZ 0.00869 -0.00404 -0.00595 0.00199 -0.00618 163 11XX -0.00076 0.00000 0.00088 -0.00029 -0.00165 164 11YY -0.00057 -0.00016 0.00079 -0.00003 -0.00151 165 11ZZ -0.00024 -0.00025 0.00071 -0.00021 -0.00147 166 11XY -0.00037 0.00020 0.00027 0.00006 -0.00018 167 11XZ 0.00020 0.00013 0.00010 0.00008 -0.00001 168 11YZ 0.00000 -0.00012 0.00000 -0.00005 0.00012 169 12XX 0.00219 -0.00075 -0.00107 0.00060 0.00050 170 12YY 0.00082 -0.00037 -0.00061 -0.00035 0.00027 171 12ZZ 0.00077 -0.00014 -0.00096 0.00001 0.00011 172 12XY 0.00063 -0.00044 0.00014 -0.00030 0.00044 173 12XZ 0.00046 -0.00022 -0.00045 0.00016 -0.00021 174 12YZ 0.00016 -0.00006 -0.00023 0.00005 -0.00026 76 77 78 79 80 76 5YZ 0.00858 77 5 Cl 1S -0.00021 2.16061 78 2S 0.00106 -0.61786 2.39039 79 2PX -0.00041 -0.00082 0.00332 2.11781 80 2PY -0.00046 0.00376 -0.01702 0.00359 2.09516 81 2PZ 0.00234 0.00000 0.00000 0.00000 0.00001 82 3S -0.00291 0.04668 -0.44206 -0.00968 0.03993 83 3PX 0.00145 0.00222 -0.00944 -0.33563 -0.00958 84 3PY 0.00002 -0.01013 0.04625 -0.00991 -0.27468 85 3PZ -0.00590 0.00000 -0.00001 0.00001 -0.00002 86 4S -0.00513 0.07361 -0.30593 -0.00851 0.04481 87 4PX 0.00261 0.00041 -0.00213 -0.22571 -0.01099 88 4PY -0.00254 -0.00361 0.01933 -0.01092 -0.15608 89 4PZ -0.00405 0.00000 -0.00001 0.00000 -0.00002 90 5XX 0.00006 0.02211 -0.02352 0.00313 0.00492 91 5YY 0.00055 0.02362 -0.03058 -0.00109 -0.01634 92 5ZZ -0.00002 0.02220 -0.02394 -0.00133 0.00475 93 5XY -0.00033 -0.00035 0.00163 -0.01020 0.00303 94 5XZ -0.00012 0.00000 0.00000 0.00000 0.00000 95 5YZ 0.00011 0.00000 0.00000 0.00000 0.00000 96 6 Cl 1S 0.00021 -0.00001 -0.00001 -0.00032 0.00045 97 2S -0.00106 -0.00001 0.00018 0.00147 -0.00222 98 2PX -0.00041 0.00032 -0.00147 0.00240 -0.00317 99 2PY -0.00046 -0.00045 0.00222 -0.00316 0.00651 100 2PZ -0.00234 0.00000 0.00000 0.00000 0.00000 101 3S 0.00290 -0.00016 0.00052 -0.00316 0.00391 102 3PX 0.00145 -0.00082 0.00366 -0.00619 0.00816 103 3PY 0.00002 0.00115 -0.00570 0.00832 -0.01698 104 3PZ 0.00590 0.00000 0.00000 0.00000 0.00000 105 4S 0.00513 0.00110 -0.00385 -0.00392 0.00850 106 4PX 0.00261 -0.00049 0.00232 -0.00560 0.00727 107 4PY -0.00254 0.00037 -0.00211 0.00680 -0.01288 108 4PZ 0.00405 0.00000 0.00000 0.00000 0.00000 109 5XX -0.00006 -0.00007 0.00019 0.00028 -0.00032 110 5YY -0.00055 -0.00015 0.00059 0.00001 0.00005 111 5ZZ 0.00002 -0.00004 0.00010 0.00008 -0.00039 112 5XY 0.00033 0.00004 -0.00018 -0.00034 0.00034 113 5XZ -0.00012 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00011 0.00000 0.00000 0.00000 0.00000 115 7 Br 1S -0.00001 0.00003 0.00008 -0.00035 -0.00069 116 2S 0.00020 -0.00013 -0.00050 0.00256 0.00454 117 3S -0.00037 0.00001 0.00056 -0.00319 -0.00533 118 4S -0.00086 0.00030 -0.00012 -0.00738 -0.00978 119 5S -0.00008 0.00005 0.00037 -0.00780 0.01328 120 6S 0.00462 -0.00099 0.00202 0.05303 -0.00362 121 7PX -0.00041 0.00020 -0.00079 -0.00068 -0.00343 122 7PY 0.00039 0.00058 -0.00234 -0.00363 -0.00536 123 7PZ 0.00014 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00079 -0.00064 0.00219 0.00235 0.01060 125 8PY -0.00114 -0.00173 0.00793 0.01097 0.01684 126 8PZ 0.00002 0.00000 0.00000 0.00000 0.00000 127 9PX -0.00138 0.00107 -0.00357 -0.00456 -0.01984 128 9PY 0.00196 0.00319 -0.01487 -0.01987 -0.03127 129 9PZ -0.00020 0.00000 0.00000 0.00000 0.00000 130 10PX -0.00285 0.00076 -0.00179 -0.00948 -0.01340 131 10PY 0.00153 0.00180 -0.00930 -0.02603 -0.02950 132 10PZ -0.00012 0.00000 0.00000 0.00000 0.00000 133 11XX 0.00020 0.00009 -0.00059 0.00070 0.00193 134 11YY 0.00007 0.00001 -0.00053 0.00244 0.00332 135 11ZZ 0.00013 -0.00001 -0.00030 0.00114 0.00201 136 11XY -0.00002 0.00007 -0.00048 0.00043 0.00077 137 11XZ -0.00007 0.00000 0.00000 0.00000 0.00000 138 11YZ -0.00001 0.00000 0.00000 0.00000 0.00000 139 12XX -0.00021 0.00030 -0.00112 -0.00483 0.00180 140 12YY -0.00065 0.00026 -0.00065 -0.00877 0.00094 141 12ZZ -0.00047 0.00037 -0.00118 -0.00591 0.00323 142 12XY 0.00001 -0.00013 0.00068 0.00003 -0.00102 143 12XZ 0.00016 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00001 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00001 0.00001 0.00017 -0.00004 0.00004 146 2S -0.00020 -0.00001 -0.00097 -0.00007 -0.00022 147 3S 0.00037 -0.00011 0.00099 0.00054 0.00019 148 4S 0.00086 -0.00001 0.00098 0.00056 0.00027 149 5S 0.00008 0.00075 -0.00283 -0.00043 -0.00008 150 6S -0.00462 -0.00242 0.00877 -0.00100 -0.00073 151 7PX -0.00041 -0.00003 0.00013 -0.00049 0.00026 152 7PY 0.00039 0.00005 -0.00014 0.00090 0.00048 153 7PZ -0.00014 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00079 0.00008 -0.00043 0.00136 -0.00069 155 8PY -0.00114 -0.00013 0.00071 -0.00279 -0.00146 156 8PZ -0.00002 0.00000 0.00000 0.00000 0.00000 157 9PX -0.00138 -0.00016 0.00082 -0.00229 0.00118 158 9PY 0.00196 0.00027 -0.00150 0.00529 0.00260 159 9PZ 0.00020 0.00000 0.00000 0.00000 0.00000 160 10PX -0.00285 -0.00017 0.00093 -0.00245 -0.00028 161 10PY 0.00153 0.00011 -0.00101 0.00494 0.00198 162 10PZ 0.00012 0.00000 0.00000 0.00000 0.00000 163 11XX -0.00020 0.00009 -0.00067 -0.00022 -0.00015 164 11YY -0.00007 0.00008 -0.00064 -0.00042 -0.00008 165 11ZZ -0.00013 0.00011 -0.00058 -0.00018 -0.00005 166 11XY 0.00002 0.00001 0.00003 0.00029 0.00004 167 11XZ -0.00007 0.00000 0.00000 0.00000 0.00000 168 11YZ -0.00001 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00021 0.00043 -0.00160 -0.00040 -0.00031 170 12YY 0.00065 0.00046 -0.00177 0.00019 0.00006 171 12ZZ 0.00047 0.00034 -0.00131 -0.00044 -0.00007 172 12XY -0.00001 -0.00002 0.00004 -0.00068 -0.00018 173 12XZ 0.00016 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00001 0.00000 0.00000 0.00000 0.00000 81 82 83 84 85 81 2PZ 2.11767 82 3S -0.00001 1.20131 83 3PX 0.00001 0.02435 1.00734 84 3PY -0.00002 -0.10238 0.02579 0.84400 85 3PZ -0.33378 0.00002 -0.00001 0.00005 0.99634 86 4S -0.00002 0.52380 0.02813 -0.12187 0.00005 87 4PX 0.00001 0.01109 0.52248 0.02880 -0.00002 88 4PY -0.00002 -0.05852 0.03081 0.34920 0.00006 89 4PZ -0.23460 0.00001 -0.00001 0.00006 0.55108 90 5XX 0.00000 -0.01974 -0.00877 -0.01222 0.00000 91 5YY 0.00000 -0.00622 0.00228 0.04549 0.00000 92 5ZZ 0.00000 -0.01884 0.00314 -0.01176 -0.00001 93 5XY 0.00000 -0.00295 0.02646 -0.00835 0.00000 94 5XZ 0.00226 0.00000 0.00000 0.00000 -0.00602 95 5YZ -0.01033 0.00000 0.00000 -0.00001 0.02711 96 6 Cl 1S 0.00000 -0.00016 0.00082 -0.00115 0.00000 97 2S 0.00000 0.00052 -0.00365 0.00570 0.00000 98 2PX 0.00000 0.00316 -0.00619 0.00832 0.00000 99 2PY 0.00000 -0.00391 0.00816 -0.01698 0.00000 100 2PZ -0.00242 0.00000 0.00000 0.00000 0.00650 101 3S 0.00000 -0.00034 0.00839 -0.00984 0.00000 102 3PX 0.00000 -0.00839 0.01661 -0.02136 0.00000 103 3PY 0.00000 0.00984 -0.02135 0.04424 0.00000 104 3PZ 0.00650 0.00000 0.00000 0.00000 -0.01767 105 4S 0.00000 0.00207 0.00694 -0.02262 0.00000 106 4PX 0.00000 -0.00563 0.01172 -0.01911 0.00000 107 4PY 0.00000 0.00437 -0.01652 0.03364 0.00000 108 4PZ 0.00379 0.00000 0.00000 0.00000 -0.00947 109 5XX 0.00000 0.00014 -0.00050 0.00087 0.00000 110 5YY 0.00000 -0.00061 0.00002 0.00003 0.00000 111 5ZZ 0.00000 0.00021 -0.00014 0.00110 0.00000 112 5XY 0.00000 0.00043 0.00099 -0.00090 0.00000 113 5XZ -0.00025 0.00000 0.00000 0.00000 0.00058 114 5YZ 0.00055 0.00000 0.00000 0.00000 -0.00139 115 7 Br 1S 0.00000 0.00041 0.00033 0.00168 0.00000 116 2S 0.00000 -0.00226 -0.00309 -0.01107 0.00000 117 3S 0.00000 0.00210 0.00425 0.01296 0.00000 118 4S 0.00000 0.00366 0.01585 0.02417 -0.00001 119 5S -0.00001 -0.00374 0.02856 -0.02987 0.00002 120 6S 0.00001 0.00705 -0.16558 -0.00160 -0.00003 121 7PX 0.00000 0.00255 0.00177 0.00886 0.00000 122 7PY 0.00000 0.00614 0.00973 0.01414 0.00000 123 7PZ 0.00200 0.00000 0.00000 0.00000 -0.00518 124 8PX 0.00000 -0.00842 -0.00673 -0.02734 0.00001 125 8PY 0.00000 -0.01714 -0.02843 -0.04492 0.00001 126 8PZ -0.00574 0.00000 0.00000 0.00000 0.01363 127 9PX 0.00001 0.01527 0.01394 0.05111 -0.00002 128 9PY 0.00001 0.02986 0.05035 0.08416 -0.00002 129 9PZ 0.00942 0.00000 -0.00001 -0.00001 -0.02056 130 10PX 0.00000 0.00682 0.02254 0.03624 -0.00001 131 10PY 0.00001 0.02299 0.07229 0.07706 -0.00002 132 10PZ 0.01680 0.00000 -0.00001 -0.00001 -0.04657 133 11XX 0.00000 -0.00027 0.00089 -0.00448 0.00000 134 11YY 0.00000 -0.00137 -0.00370 -0.00809 0.00000 135 11ZZ 0.00000 -0.00151 -0.00032 -0.00479 0.00000 136 11XY 0.00000 0.00070 -0.00111 -0.00185 0.00000 137 11XZ -0.00029 0.00000 0.00000 0.00000 0.00077 138 11YZ -0.00059 0.00000 0.00000 0.00000 0.00153 139 12XX 0.00000 -0.00059 0.01944 -0.00344 0.00001 140 12YY 0.00000 -0.00208 0.02819 -0.00033 0.00001 141 12ZZ 0.00000 -0.00031 0.02099 -0.00712 0.00001 142 12XY 0.00000 -0.00248 -0.00003 0.00221 0.00000 143 12XZ -0.00040 0.00000 0.00000 0.00000 0.00188 144 12YZ 0.00126 0.00000 0.00000 0.00000 -0.00277 145 8 Br 1S 0.00000 0.00048 0.00035 -0.00019 0.00000 146 2S 0.00000 -0.00224 -0.00145 0.00108 0.00000 147 3S 0.00000 0.00144 0.00066 -0.00111 0.00000 148 4S 0.00000 0.00213 -0.00019 -0.00110 0.00000 149 5S 0.00000 0.00195 -0.00328 0.00110 0.00000 150 6S 0.00000 -0.00363 0.01614 -0.00125 0.00000 151 7PX 0.00000 -0.00012 0.00141 -0.00067 0.00000 152 7PY 0.00000 0.00046 -0.00235 -0.00128 0.00000 153 7PZ 0.00030 0.00000 0.00000 0.00000 -0.00076 154 8PX 0.00000 0.00043 -0.00354 0.00145 0.00000 155 8PY 0.00000 -0.00083 0.00733 0.00385 0.00000 156 8PZ -0.00088 0.00000 0.00000 0.00000 0.00216 157 9PX 0.00000 -0.00069 0.00533 -0.00210 0.00000 158 9PY 0.00000 0.00114 -0.01399 -0.00674 0.00000 159 9PZ 0.00148 0.00000 0.00000 0.00000 -0.00351 160 10PX 0.00000 -0.00040 0.00780 0.00074 0.00000 161 10PY 0.00000 0.00180 -0.01221 -0.00597 0.00000 162 10PZ 0.00216 0.00000 0.00000 0.00000 -0.00536 163 11XX 0.00000 -0.00095 -0.00078 0.00075 0.00000 164 11YY 0.00000 -0.00110 -0.00027 0.00063 0.00000 165 11ZZ 0.00000 -0.00065 -0.00091 0.00057 0.00000 166 11XY 0.00000 0.00024 -0.00078 -0.00008 0.00000 167 11XZ 0.00005 0.00000 0.00000 0.00000 -0.00014 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00001 169 12XX 0.00000 0.00009 -0.00219 0.00185 0.00000 170 12YY 0.00000 0.00042 -0.00401 0.00066 0.00000 171 12ZZ 0.00000 0.00017 -0.00325 0.00111 0.00000 172 12XY 0.00000 -0.00001 0.00136 0.00026 0.00000 173 12XZ 0.00011 0.00000 0.00000 0.00000 -0.00050 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00026 86 87 88 89 90 86 4S 0.25113 87 4PX 0.01215 0.27413 88 4PY -0.05277 0.02191 0.14854 89 4PZ 0.00003 -0.00001 0.00004 0.30746 90 5XX -0.00594 -0.00478 -0.00488 0.00000 0.00117 91 5YY -0.00584 0.00197 0.01843 0.00000 -0.00011 92 5ZZ -0.00522 0.00145 -0.00440 0.00000 0.00105 93 5XY -0.00014 0.01329 -0.00285 0.00000 -0.00004 94 5XZ 0.00000 0.00000 0.00000 -0.00333 0.00000 95 5YZ 0.00000 0.00000 0.00000 0.01483 0.00000 96 6 Cl 1S 0.00110 0.00049 -0.00037 0.00000 -0.00007 97 2S -0.00385 -0.00232 0.00211 0.00000 0.00019 98 2PX 0.00392 -0.00560 0.00680 0.00000 -0.00028 99 2PY -0.00850 0.00727 -0.01288 0.00000 0.00032 100 2PZ 0.00000 0.00000 0.00000 0.00380 0.00000 101 3S 0.00207 0.00563 -0.00437 0.00000 0.00014 102 3PX -0.00695 0.01172 -0.01652 0.00000 0.00050 103 3PY 0.02262 -0.01910 0.03364 0.00000 -0.00087 104 3PZ 0.00000 0.00000 0.00000 -0.00947 0.00000 105 4S 0.00365 0.00382 -0.00918 0.00000 0.00037 106 4PX -0.00383 0.00795 -0.01226 0.00000 0.00033 107 4PY 0.00918 -0.01226 0.02065 0.00000 -0.00057 108 4PZ 0.00000 0.00000 0.00000 -0.00532 0.00000 109 5XX 0.00037 -0.00033 0.00057 0.00000 -0.00002 110 5YY -0.00111 0.00027 -0.00060 0.00000 0.00000 111 5ZZ 0.00026 -0.00018 0.00067 0.00000 -0.00002 112 5XY 0.00048 0.00038 -0.00013 0.00000 -0.00002 113 5XZ 0.00000 0.00000 0.00000 0.00037 0.00000 114 5YZ 0.00000 0.00000 0.00000 -0.00086 0.00000 115 7 Br 1S -0.00392 0.00615 0.00181 0.00000 0.00023 116 2S 0.01948 -0.03085 -0.00985 0.00000 -0.00094 117 3S -0.01447 0.02309 0.00879 0.00000 0.00034 118 4S -0.02230 0.04005 0.01501 0.00000 0.00026 119 5S 0.00598 0.00982 -0.01151 0.00001 0.00060 120 6S -0.00322 -0.08055 -0.00018 -0.00002 0.00218 121 7PX -0.00290 0.00190 0.00336 0.00000 0.00004 122 7PY 0.00401 0.00507 0.00931 0.00000 0.00023 123 7PZ 0.00000 0.00000 0.00000 -0.00413 0.00000 124 8PX 0.01408 -0.00359 -0.01256 0.00000 -0.00045 125 8PY -0.02790 -0.02453 -0.02940 0.00001 0.00077 126 8PZ 0.00002 0.00000 0.00001 0.02013 0.00000 127 9PX -0.02741 0.00604 0.02431 0.00000 0.00083 128 9PY 0.05650 0.04757 0.05433 -0.00002 -0.00189 129 9PZ -0.00004 0.00000 -0.00002 -0.03746 0.00000 130 10PX -0.02210 0.00874 0.01671 0.00000 0.00049 131 10PY 0.04599 0.05432 0.04776 -0.00002 -0.00204 132 10PZ -0.00003 0.00000 -0.00002 -0.04798 0.00000 133 11XX 0.00619 -0.01288 -0.00416 0.00000 -0.00019 134 11YY 0.01110 -0.01330 -0.00557 0.00000 -0.00044 135 11ZZ 0.00792 -0.01259 -0.00390 0.00000 -0.00036 136 11XY 0.00360 -0.00007 0.00028 0.00000 -0.00014 137 11XZ 0.00000 0.00000 0.00000 -0.00085 0.00000 138 11YZ 0.00000 0.00000 0.00000 -0.00002 0.00000 139 12XX 0.00543 0.00546 -0.00229 0.00000 -0.00043 140 12YY 0.00132 0.00958 -0.00093 0.00000 -0.00037 141 12ZZ 0.00356 0.00629 -0.00351 0.00000 -0.00020 142 12XY -0.00284 -0.00097 0.00005 0.00000 -0.00008 143 12XZ 0.00000 0.00000 0.00000 0.00222 0.00000 144 12YZ 0.00000 0.00000 0.00000 -0.00107 0.00000 145 8 Br 1S -0.00497 -0.00107 0.00007 0.00000 0.00036 146 2S 0.02392 0.00534 -0.00015 0.00000 -0.00169 147 3S -0.01640 -0.00399 -0.00031 0.00000 0.00105 148 4S -0.02475 -0.00681 -0.00049 0.00000 0.00155 149 5S 0.00029 -0.00113 0.00055 0.00000 0.00020 150 6S -0.00162 0.00925 0.00290 0.00000 0.00020 151 7PX -0.00126 0.00028 0.00035 0.00000 0.00006 152 7PY -0.00014 -0.00172 -0.00042 0.00000 -0.00005 153 7PZ 0.00000 0.00000 0.00000 -0.00071 0.00000 154 8PX 0.00055 -0.00123 -0.00018 0.00000 -0.00020 155 8PY -0.00341 0.00519 0.00142 0.00000 0.00057 156 8PZ 0.00000 0.00000 0.00000 0.00225 0.00000 157 9PX 0.00015 0.00193 0.00011 0.00000 0.00036 158 9PY 0.00765 -0.00972 -0.00249 0.00000 -0.00115 159 9PZ 0.00000 0.00000 0.00000 -0.00385 0.00000 160 10PX 0.00042 0.00322 0.00242 0.00000 0.00024 161 10PY 0.00652 -0.00841 -0.00207 0.00000 -0.00092 162 10PZ 0.00000 0.00000 0.00000 -0.00488 0.00000 163 11XX 0.01023 0.00179 0.00031 0.00000 -0.00073 164 11YY 0.01130 0.00184 0.00035 0.00000 -0.00074 165 11ZZ 0.00836 0.00300 -0.00045 0.00000 -0.00056 166 11XY -0.00123 0.00041 -0.00039 0.00000 0.00010 167 11XZ 0.00000 0.00000 0.00000 0.00023 0.00000 168 11YZ 0.00000 0.00000 0.00000 -0.00028 0.00000 169 12XX 0.00321 -0.00048 0.00049 0.00000 -0.00021 170 12YY 0.00304 -0.00145 -0.00029 0.00000 -0.00022 171 12ZZ 0.00289 -0.00099 -0.00003 0.00000 -0.00020 172 12XY 0.00031 0.00063 0.00018 0.00000 -0.00007 173 12XZ 0.00000 0.00000 0.00000 -0.00047 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00007 0.00000 91 92 93 94 95 91 5YY 0.00325 92 5ZZ -0.00009 0.00109 93 5XY -0.00040 0.00026 0.00091 94 5XZ 0.00000 0.00000 0.00000 0.00005 95 5YZ 0.00000 0.00000 0.00000 -0.00018 0.00079 96 6 Cl 1S -0.00015 -0.00004 0.00004 0.00000 0.00000 97 2S 0.00059 0.00010 -0.00018 0.00000 0.00000 98 2PX -0.00001 -0.00008 0.00034 0.00000 0.00000 99 2PY -0.00005 0.00039 -0.00034 0.00000 0.00000 100 2PZ 0.00000 0.00000 0.00000 0.00025 -0.00055 101 3S -0.00061 0.00020 0.00043 0.00000 0.00000 102 3PX -0.00002 0.00014 -0.00099 0.00000 0.00000 103 3PY -0.00003 -0.00110 0.00090 0.00000 0.00000 104 3PZ 0.00000 0.00000 0.00000 -0.00058 0.00139 105 4S -0.00111 0.00026 0.00048 0.00000 0.00000 106 4PX -0.00027 0.00018 -0.00038 0.00000 0.00000 107 4PY 0.00060 -0.00067 0.00013 0.00000 0.00000 108 4PZ 0.00000 0.00000 0.00000 -0.00037 0.00086 109 5XX 0.00000 -0.00002 -0.00002 0.00000 0.00000 110 5YY 0.00009 0.00001 -0.00006 0.00000 0.00000 111 5ZZ 0.00001 -0.00002 0.00001 0.00000 0.00000 112 5XY -0.00006 0.00001 0.00008 0.00000 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00001 114 5YZ 0.00000 0.00000 0.00000 0.00001 -0.00006 115 7 Br 1S 0.00072 0.00043 0.00039 0.00000 0.00000 116 2S -0.00358 -0.00196 -0.00190 0.00000 0.00000 117 3S 0.00262 0.00108 0.00129 0.00000 0.00000 118 4S 0.00427 0.00152 0.00219 0.00000 0.00000 119 5S -0.00136 0.00078 0.00126 0.00000 0.00000 120 6S -0.00115 0.00022 -0.00535 0.00000 0.00000 121 7PX -0.00034 0.00000 -0.00028 0.00000 0.00000 122 7PY -0.00009 0.00049 -0.00141 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00022 0.00054 124 8PX 0.00014 -0.00072 0.00059 0.00000 0.00000 125 8PY 0.00146 -0.00032 0.00349 0.00000 0.00000 126 8PZ 0.00000 0.00000 0.00000 -0.00070 -0.00115 127 9PX 0.00019 0.00148 -0.00096 0.00000 0.00000 128 9PY -0.00282 0.00018 -0.00607 0.00000 0.00000 129 9PZ 0.00000 0.00000 0.00000 0.00124 0.00196 130 10PX 0.00036 0.00113 0.00002 0.00000 0.00000 131 10PY -0.00162 -0.00003 -0.00409 0.00000 0.00000 132 10PZ 0.00000 0.00000 0.00000 0.00125 0.00090 133 11XX -0.00146 -0.00057 -0.00079 0.00000 0.00000 134 11YY -0.00175 -0.00089 -0.00075 0.00000 0.00000 135 11ZZ -0.00135 -0.00080 -0.00076 0.00000 0.00000 136 11XY -0.00043 -0.00009 -0.00003 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00001 0.00001 138 11YZ 0.00000 0.00000 0.00000 -0.00001 0.00000 139 12XX -0.00020 -0.00037 0.00045 0.00000 0.00000 140 12YY -0.00011 -0.00018 0.00077 0.00000 0.00000 141 12ZZ -0.00068 -0.00006 0.00047 0.00000 0.00000 142 12XY 0.00056 -0.00015 0.00029 0.00000 0.00000 143 12XZ 0.00000 0.00000 0.00000 -0.00008 -0.00006 144 12YZ 0.00000 0.00000 0.00000 0.00000 -0.00013 145 8 Br 1S 0.00034 0.00013 -0.00001 0.00000 0.00000 146 2S -0.00161 -0.00060 0.00007 0.00000 0.00000 147 3S 0.00102 0.00039 -0.00006 0.00000 0.00000 148 4S 0.00156 0.00057 -0.00011 0.00000 0.00000 149 5S 0.00021 -0.00002 0.00008 0.00000 0.00000 150 6S -0.00025 0.00018 -0.00005 0.00000 0.00000 151 7PX -0.00012 -0.00018 0.00008 0.00000 0.00000 152 7PY 0.00031 0.00029 0.00003 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 -0.00008 0.00002 154 8PX 0.00030 -0.00007 -0.00021 0.00000 0.00000 155 8PY -0.00031 -0.00004 0.00006 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00007 -0.00005 157 9PX -0.00050 0.00031 0.00034 0.00000 0.00000 158 9PY 0.00036 -0.00019 -0.00018 0.00000 0.00000 159 9PZ 0.00000 0.00000 0.00000 -0.00006 0.00011 160 10PX -0.00040 0.00025 0.00027 0.00000 0.00000 161 10PY 0.00027 -0.00019 -0.00022 0.00000 0.00000 162 10PZ 0.00000 0.00000 0.00000 -0.00002 0.00000 163 11XX -0.00067 -0.00033 0.00001 0.00000 0.00000 164 11YY -0.00072 -0.00028 0.00001 0.00000 0.00000 165 11ZZ -0.00055 -0.00014 0.00006 0.00000 0.00000 166 11XY 0.00004 0.00009 0.00001 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 -0.00001 168 11YZ 0.00000 0.00000 0.00000 0.00000 -0.00001 169 12XX -0.00010 -0.00012 0.00002 0.00000 0.00000 170 12YY -0.00010 -0.00011 -0.00003 0.00000 0.00000 171 12ZZ -0.00012 -0.00009 0.00000 0.00000 0.00000 172 12XY 0.00005 -0.00002 0.00004 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 -0.00001 0.00002 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00002 96 97 98 99 100 96 6 Cl 1S 2.16061 97 2S -0.61786 2.39039 98 2PX 0.00082 -0.00332 2.11781 99 2PY -0.00376 0.01702 0.00359 2.09516 100 2PZ 0.00000 0.00000 0.00000 0.00000 2.11767 101 3S 0.04668 -0.44206 0.00968 -0.03993 0.00000 102 3PX -0.00222 0.00944 -0.33563 -0.00957 0.00000 103 3PY 0.01013 -0.04624 -0.00990 -0.27468 0.00001 104 3PZ 0.00000 -0.00001 0.00000 0.00001 -0.33378 105 4S 0.07361 -0.30593 0.00851 -0.04481 -0.00001 106 4PX -0.00041 0.00213 -0.22571 -0.01099 0.00000 107 4PY 0.00361 -0.01933 -0.01092 -0.15609 0.00001 108 4PZ 0.00000 0.00000 0.00000 0.00001 -0.23460 109 5XX 0.02211 -0.02352 -0.00313 -0.00492 0.00000 110 5YY 0.02362 -0.03058 0.00109 0.01634 0.00000 111 5ZZ 0.02220 -0.02394 0.00133 -0.00475 0.00000 112 5XY -0.00035 0.00163 0.01020 -0.00303 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00000 -0.00226 114 5YZ 0.00000 0.00000 0.00000 0.00000 0.01033 115 7 Br 1S 0.00001 0.00017 0.00004 -0.00004 0.00000 116 2S -0.00001 -0.00097 0.00007 0.00022 0.00000 117 3S -0.00011 0.00100 -0.00054 -0.00019 0.00000 118 4S -0.00001 0.00098 -0.00056 -0.00027 0.00000 119 5S 0.00075 -0.00283 0.00043 0.00008 0.00000 120 6S -0.00242 0.00877 0.00100 0.00073 0.00000 121 7PX 0.00003 -0.00013 -0.00049 0.00026 0.00000 122 7PY -0.00005 0.00014 0.00090 0.00048 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00030 124 8PX -0.00008 0.00043 0.00136 -0.00070 0.00000 125 8PY 0.00013 -0.00071 -0.00279 -0.00146 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 -0.00088 127 9PX 0.00016 -0.00082 -0.00229 0.00118 0.00000 128 9PY -0.00027 0.00149 0.00529 0.00260 0.00000 129 9PZ 0.00000 0.00000 0.00000 0.00000 0.00148 130 10PX 0.00017 -0.00093 -0.00244 -0.00028 0.00000 131 10PY -0.00011 0.00101 0.00494 0.00198 0.00000 132 10PZ 0.00000 0.00000 0.00000 0.00000 0.00216 133 11XX 0.00009 -0.00067 0.00022 0.00015 0.00000 134 11YY 0.00008 -0.00064 0.00042 0.00008 0.00000 135 11ZZ 0.00011 -0.00058 0.00018 0.00005 0.00000 136 11XY 0.00001 0.00003 -0.00029 -0.00004 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 -0.00005 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00043 -0.00160 0.00040 0.00031 0.00000 140 12YY 0.00046 -0.00178 -0.00019 -0.00006 0.00000 141 12ZZ 0.00034 -0.00131 0.00044 0.00007 0.00000 142 12XY -0.00002 0.00004 0.00068 0.00018 0.00000 143 12XZ 0.00000 0.00000 0.00000 0.00000 -0.00011 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00003 0.00008 0.00035 0.00069 0.00000 146 2S -0.00013 -0.00050 -0.00256 -0.00454 0.00000 147 3S 0.00001 0.00056 0.00319 0.00533 0.00000 148 4S 0.00029 -0.00011 0.00738 0.00978 0.00000 149 5S 0.00005 0.00037 0.00781 -0.01328 0.00000 150 6S -0.00099 0.00202 -0.05303 0.00363 -0.00002 151 7PX -0.00020 0.00079 -0.00068 -0.00343 0.00000 152 7PY -0.00058 0.00234 -0.00363 -0.00536 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00200 154 8PX 0.00064 -0.00219 0.00235 0.01060 0.00000 155 8PY 0.00173 -0.00793 0.01097 0.01684 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 -0.00574 157 9PX -0.00107 0.00356 -0.00456 -0.01983 0.00000 158 9PY -0.00319 0.01487 -0.01987 -0.03127 -0.00001 159 9PZ 0.00000 0.00000 0.00000 -0.00001 0.00941 160 10PX -0.00076 0.00179 -0.00947 -0.01339 -0.00001 161 10PY -0.00180 0.00930 -0.02603 -0.02950 -0.00001 162 10PZ 0.00000 0.00000 -0.00001 -0.00001 0.01680 163 11XX 0.00009 -0.00059 -0.00070 -0.00193 0.00000 164 11YY 0.00001 -0.00053 -0.00244 -0.00332 0.00000 165 11ZZ -0.00001 -0.00030 -0.00114 -0.00201 0.00000 166 11XY 0.00007 -0.00048 -0.00043 -0.00077 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00029 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00059 169 12XX 0.00030 -0.00112 0.00483 -0.00180 0.00000 170 12YY 0.00026 -0.00065 0.00877 -0.00094 0.00000 171 12ZZ 0.00037 -0.00118 0.00591 -0.00323 0.00000 172 12XY -0.00013 0.00068 -0.00003 0.00102 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00040 174 12YZ 0.00000 0.00000 0.00000 0.00000 -0.00126 101 102 103 104 105 101 3S 1.20131 102 3PX -0.02435 1.00733 103 3PY 0.10238 0.02578 0.84400 104 3PZ 0.00001 0.00001 -0.00002 0.99634 105 4S 0.52380 -0.02813 0.12186 0.00002 0.25112 106 4PX -0.01109 0.52248 0.02879 0.00001 -0.01215 107 4PY 0.05852 0.03080 0.34920 -0.00003 0.05277 108 4PZ 0.00001 0.00001 -0.00002 0.55109 0.00001 109 5XX -0.01974 0.00877 0.01222 0.00000 -0.00593 110 5YY -0.00622 -0.00228 -0.04549 0.00000 -0.00584 111 5ZZ -0.01884 -0.00314 0.01176 0.00000 -0.00522 112 5XY -0.00295 -0.02646 0.00835 0.00000 -0.00014 113 5XZ 0.00000 0.00000 0.00000 0.00602 0.00000 114 5YZ 0.00000 0.00000 0.00000 -0.02711 0.00000 115 7 Br 1S 0.00048 -0.00035 0.00019 0.00000 -0.00497 116 2S -0.00224 0.00146 -0.00108 0.00000 0.02394 117 3S 0.00144 -0.00066 0.00111 0.00000 -0.01641 118 4S 0.00214 0.00019 0.00110 0.00000 -0.02477 119 5S 0.00195 0.00329 -0.00110 -0.00001 0.00029 120 6S -0.00362 -0.01613 0.00125 0.00002 -0.00162 121 7PX 0.00012 0.00141 -0.00067 0.00000 0.00126 122 7PY -0.00045 -0.00235 -0.00128 0.00000 0.00014 123 7PZ 0.00000 0.00000 0.00000 -0.00076 0.00000 124 8PX -0.00043 -0.00354 0.00146 0.00000 -0.00055 125 8PY 0.00082 0.00732 0.00386 0.00000 0.00340 126 8PZ 0.00000 0.00000 0.00000 0.00217 0.00000 127 9PX 0.00069 0.00531 -0.00210 0.00000 -0.00016 128 9PY -0.00113 -0.01397 -0.00675 0.00000 -0.00764 129 9PZ 0.00000 0.00000 0.00000 -0.00352 0.00000 130 10PX 0.00040 0.00779 0.00073 0.00000 -0.00043 131 10PY -0.00180 -0.01220 -0.00598 0.00000 -0.00651 132 10PZ 0.00000 0.00000 0.00000 -0.00536 0.00000 133 11XX -0.00095 0.00079 -0.00075 0.00000 0.01024 134 11YY -0.00111 0.00027 -0.00063 0.00000 0.01131 135 11ZZ -0.00065 0.00091 -0.00057 0.00000 0.00837 136 11XY 0.00024 0.00078 0.00008 0.00000 -0.00123 137 11XZ 0.00000 0.00000 0.00000 0.00014 0.00000 138 11YZ 0.00000 0.00000 0.00000 -0.00001 0.00000 139 12XX 0.00008 0.00219 -0.00185 0.00000 0.00321 140 12YY 0.00041 0.00401 -0.00066 0.00000 0.00304 141 12ZZ 0.00017 0.00325 -0.00111 0.00000 0.00290 142 12XY -0.00001 -0.00136 -0.00026 0.00000 0.00031 143 12XZ 0.00000 0.00000 0.00000 0.00050 0.00000 144 12YZ 0.00000 0.00000 0.00000 -0.00026 0.00000 145 8 Br 1S 0.00041 -0.00032 -0.00168 0.00000 -0.00392 146 2S -0.00226 0.00309 0.01107 0.00000 0.01950 147 3S 0.00210 -0.00424 -0.01296 0.00000 -0.01448 148 4S 0.00365 -0.01584 -0.02416 0.00000 -0.02231 149 5S -0.00374 -0.02856 0.02987 -0.00001 0.00598 150 6S 0.00706 0.16558 0.00159 0.00005 -0.00322 151 7PX -0.00255 0.00177 0.00886 0.00000 0.00290 152 7PY -0.00614 0.00972 0.01414 0.00000 -0.00401 153 7PZ 0.00000 0.00000 0.00000 -0.00518 0.00000 154 8PX 0.00842 -0.00673 -0.02733 0.00000 -0.01408 155 8PY 0.01713 -0.02843 -0.04492 -0.00001 0.02789 156 8PZ 0.00000 -0.00001 -0.00001 0.01363 0.00000 157 9PX -0.01527 0.01393 0.05109 0.00000 0.02742 158 9PY -0.02986 0.05035 0.08416 0.00002 -0.05648 159 9PZ -0.00001 0.00001 0.00002 -0.02055 0.00000 160 10PX -0.00681 0.02252 0.03622 0.00002 0.02211 161 10PY -0.02298 0.07230 0.07706 0.00002 -0.04597 162 10PZ -0.00001 0.00002 0.00002 -0.04656 0.00000 163 11XX -0.00027 -0.00089 0.00448 0.00000 0.00620 164 11YY -0.00137 0.00369 0.00809 0.00000 0.01111 165 11ZZ -0.00151 0.00032 0.00479 0.00000 0.00793 166 11XY 0.00070 0.00111 0.00185 0.00000 0.00360 167 11XZ 0.00000 0.00000 0.00000 -0.00077 0.00000 168 11YZ 0.00000 0.00000 0.00000 -0.00153 0.00000 169 12XX -0.00059 -0.01945 0.00344 -0.00001 0.00543 170 12YY -0.00208 -0.02818 0.00033 -0.00001 0.00132 171 12ZZ -0.00031 -0.02099 0.00712 -0.00001 0.00356 172 12XY -0.00248 0.00003 -0.00221 0.00000 -0.00284 173 12XZ 0.00000 0.00000 0.00000 -0.00188 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00277 0.00000 106 107 108 109 110 106 4PX 0.27414 107 4PY 0.02191 0.14854 108 4PZ 0.00000 -0.00002 0.30746 109 5XX 0.00478 0.00488 0.00000 0.00117 110 5YY -0.00197 -0.01843 0.00000 -0.00011 0.00325 111 5ZZ -0.00145 0.00440 0.00000 0.00105 -0.00009 112 5XY -0.01329 0.00285 0.00000 -0.00004 -0.00040 113 5XZ 0.00000 0.00000 0.00333 0.00000 0.00000 114 5YZ 0.00000 0.00000 -0.01483 0.00000 0.00000 115 7 Br 1S 0.00107 -0.00007 0.00000 0.00036 0.00034 116 2S -0.00534 0.00015 0.00000 -0.00169 -0.00161 117 3S 0.00399 0.00031 0.00000 0.00105 0.00102 118 4S 0.00681 0.00049 0.00000 0.00155 0.00156 119 5S 0.00113 -0.00055 0.00000 0.00020 0.00021 120 6S -0.00925 -0.00290 0.00001 0.00020 -0.00025 121 7PX 0.00028 0.00035 0.00000 -0.00006 0.00012 122 7PY -0.00172 -0.00042 0.00000 0.00005 -0.00031 123 7PZ 0.00000 0.00000 -0.00071 0.00000 0.00000 124 8PX -0.00123 -0.00018 0.00000 0.00020 -0.00030 125 8PY 0.00518 0.00143 0.00000 -0.00057 0.00031 126 8PZ 0.00000 0.00000 0.00226 0.00000 0.00000 127 9PX 0.00192 0.00010 0.00000 -0.00036 0.00050 128 9PY -0.00972 -0.00250 0.00000 0.00115 -0.00036 129 9PZ 0.00000 0.00000 -0.00386 0.00000 0.00000 130 10PX 0.00321 0.00242 0.00000 -0.00024 0.00040 131 10PY -0.00840 -0.00208 0.00000 0.00092 -0.00027 132 10PZ 0.00000 0.00000 -0.00488 0.00000 0.00000 133 11XX -0.00179 -0.00031 0.00000 -0.00073 -0.00067 134 11YY -0.00184 -0.00035 0.00000 -0.00074 -0.00072 135 11ZZ -0.00300 0.00045 0.00000 -0.00057 -0.00055 136 11XY -0.00041 0.00039 0.00000 0.00010 0.00004 137 11XZ 0.00000 0.00000 -0.00023 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00028 0.00000 0.00000 139 12XX 0.00049 -0.00049 0.00000 -0.00021 -0.00010 140 12YY 0.00145 0.00029 0.00000 -0.00022 -0.00010 141 12ZZ 0.00099 0.00003 0.00000 -0.00020 -0.00012 142 12XY -0.00063 -0.00018 0.00000 -0.00007 0.00005 143 12XZ 0.00000 0.00000 0.00047 0.00000 0.00000 144 12YZ 0.00000 0.00000 -0.00007 0.00000 0.00000 145 8 Br 1S -0.00615 -0.00181 0.00000 0.00023 0.00072 146 2S 0.03085 0.00985 0.00001 -0.00094 -0.00358 147 3S -0.02309 -0.00879 0.00000 0.00034 0.00262 148 4S -0.04004 -0.01501 -0.00001 0.00026 0.00427 149 5S -0.00983 0.01150 -0.00001 0.00060 -0.00136 150 6S 0.08055 0.00018 0.00003 0.00218 -0.00115 151 7PX 0.00190 0.00336 0.00000 -0.00004 0.00034 152 7PY 0.00507 0.00931 0.00000 -0.00023 0.00009 153 7PZ 0.00000 0.00000 -0.00413 0.00000 0.00000 154 8PX -0.00358 -0.01255 0.00000 0.00045 -0.00014 155 8PY -0.02453 -0.02939 -0.00001 -0.00077 -0.00146 156 8PZ -0.00001 -0.00001 0.02013 0.00000 0.00000 157 9PX 0.00602 0.02430 0.00000 -0.00083 -0.00020 158 9PY 0.04757 0.05433 0.00001 0.00189 0.00282 159 9PZ 0.00001 0.00001 -0.03746 0.00000 0.00000 160 10PX 0.00872 0.01669 0.00001 -0.00049 -0.00036 161 10PY 0.05433 0.04776 0.00001 0.00204 0.00162 162 10PZ 0.00001 0.00001 -0.04797 0.00000 0.00000 163 11XX 0.01287 0.00416 0.00000 -0.00019 -0.00146 164 11YY 0.01330 0.00557 0.00000 -0.00044 -0.00176 165 11ZZ 0.01259 0.00390 0.00000 -0.00036 -0.00135 166 11XY 0.00007 -0.00028 0.00000 -0.00014 -0.00043 167 11XZ 0.00000 0.00000 0.00085 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00002 0.00000 0.00000 169 12XX -0.00546 0.00229 0.00000 -0.00043 -0.00020 170 12YY -0.00958 0.00093 0.00000 -0.00037 -0.00011 171 12ZZ -0.00629 0.00351 0.00000 -0.00020 -0.00068 172 12XY 0.00097 -0.00005 0.00000 -0.00008 0.00056 173 12XZ 0.00000 0.00000 -0.00222 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00107 0.00000 0.00000 111 112 113 114 115 111 5ZZ 0.00109 112 5XY 0.00026 0.00091 113 5XZ 0.00000 0.00000 0.00005 114 5YZ 0.00000 0.00000 -0.00018 0.00079 115 7 Br 1S 0.00013 -0.00001 0.00000 0.00000 2.39617 116 2S -0.00060 0.00007 0.00000 0.00000 -1.27293 117 3S 0.00039 -0.00006 0.00000 0.00000 0.48888 118 4S 0.00057 -0.00011 0.00000 0.00000 0.74717 119 5S -0.00002 0.00008 0.00000 0.00000 0.14146 120 6S 0.00018 -0.00005 0.00000 0.00000 0.22688 121 7PX 0.00018 -0.00008 0.00000 0.00000 -0.00011 122 7PY -0.00029 -0.00003 0.00000 0.00000 -0.00004 123 7PZ 0.00000 0.00000 0.00008 -0.00002 0.00000 124 8PX 0.00007 0.00021 0.00000 0.00000 0.00163 125 8PY 0.00004 -0.00006 0.00000 0.00000 0.00072 126 8PZ 0.00000 0.00000 -0.00007 0.00005 0.00000 127 9PX -0.00031 -0.00034 0.00000 0.00000 0.00023 128 9PY 0.00019 0.00018 0.00000 0.00000 0.00019 129 9PZ 0.00000 0.00000 0.00006 -0.00011 0.00000 130 10PX -0.00025 -0.00027 0.00000 0.00000 -0.01985 131 10PY 0.00019 0.00022 0.00000 0.00000 -0.00905 132 10PZ 0.00000 0.00000 0.00002 0.00000 0.00000 133 11XX -0.00033 0.00001 0.00000 0.00000 -0.39275 134 11YY -0.00028 0.00001 0.00000 0.00000 -0.39283 135 11ZZ -0.00014 0.00006 0.00000 0.00000 -0.39287 136 11XY 0.00009 0.00001 0.00000 0.00000 0.00008 137 11XZ 0.00000 0.00000 0.00000 -0.00001 0.00000 138 11YZ 0.00000 0.00000 0.00000 -0.00001 0.00000 139 12XX -0.00012 0.00002 0.00000 0.00000 -0.12441 140 12YY -0.00011 -0.00003 0.00000 0.00000 -0.12442 141 12ZZ -0.00010 0.00000 0.00000 0.00000 -0.12428 142 12XY -0.00002 0.00004 0.00000 0.00000 -0.00017 143 12XZ 0.00000 0.00000 -0.00001 0.00002 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00002 0.00000 145 8 Br 1S 0.00043 0.00039 0.00000 0.00000 -0.00012 146 2S -0.00196 -0.00190 0.00000 0.00000 -0.00012 147 3S 0.00108 0.00129 0.00000 0.00000 0.00155 148 4S 0.00152 0.00219 0.00000 0.00000 0.00019 149 5S 0.00078 0.00126 0.00000 0.00000 -0.00575 150 6S 0.00022 -0.00535 0.00000 0.00000 0.02053 151 7PX 0.00000 0.00028 0.00000 0.00000 0.00006 152 7PY -0.00049 0.00141 0.00000 0.00000 -0.00003 153 7PZ 0.00000 0.00000 -0.00022 -0.00054 0.00000 154 8PX 0.00072 -0.00059 0.00000 0.00000 -0.00032 155 8PY 0.00032 -0.00349 0.00000 0.00000 0.00002 156 8PZ 0.00000 0.00000 0.00070 0.00115 0.00000 157 9PX -0.00148 0.00096 0.00000 0.00000 0.00014 158 9PY -0.00018 0.00607 0.00000 0.00000 -0.00017 159 9PZ 0.00000 0.00000 -0.00124 -0.00196 0.00000 160 10PX -0.00113 -0.00002 0.00000 0.00000 0.00329 161 10PY 0.00003 0.00408 0.00000 0.00000 0.00069 162 10PZ 0.00000 0.00000 -0.00125 -0.00090 0.00000 163 11XX -0.00057 -0.00079 0.00000 0.00000 -0.00130 164 11YY -0.00089 -0.00075 0.00000 0.00000 -0.00120 165 11ZZ -0.00080 -0.00076 0.00000 0.00000 -0.00130 166 11XY -0.00009 -0.00003 0.00000 0.00000 -0.00004 167 11XZ 0.00000 0.00000 0.00001 0.00001 0.00000 168 11YZ 0.00000 0.00000 -0.00001 0.00000 0.00000 169 12XX -0.00037 0.00045 0.00000 0.00000 -0.00406 170 12YY -0.00018 0.00077 0.00000 0.00000 -0.00465 171 12ZZ -0.00006 0.00047 0.00000 0.00000 -0.00400 172 12XY -0.00015 0.00029 0.00000 0.00000 0.00016 173 12XZ 0.00000 0.00000 -0.00008 -0.00006 0.00000 174 12YZ 0.00000 0.00000 0.00000 -0.00013 0.00000 116 117 118 119 120 116 2S 4.75205 117 3S -2.59528 2.01328 118 4S -3.79572 2.98684 4.46513 119 5S -0.52981 0.08171 -0.05788 0.99676 120 6S -0.98538 0.47733 0.58566 0.66156 0.63977 121 7PX 0.00746 -0.01662 -0.01690 0.02180 -0.04280 122 7PY 0.00331 -0.00737 -0.00768 0.00670 -0.01231 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX -0.01348 0.02040 0.03204 -0.02972 -0.04746 125 8PY -0.00584 0.00868 0.01433 -0.00825 -0.03075 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX 0.00742 -0.02072 -0.04615 0.03748 0.15110 128 9PY 0.00256 -0.00798 -0.01982 0.00864 0.07997 129 9PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 130 10PX 0.10261 -0.08321 -0.13593 0.03972 0.08392 131 10PY 0.04696 -0.03824 -0.06372 0.01515 0.04655 132 10PZ -0.00001 0.00000 0.00001 0.00000 0.00000 133 11XX 1.82279 -1.13294 -1.66523 -0.16305 -0.35130 134 11YY 1.82362 -1.13415 -1.66761 -0.15256 -0.37205 135 11ZZ 1.82376 -1.13410 -1.66795 -0.15199 -0.37266 136 11XY -0.00062 0.00070 0.00169 -0.00687 0.01345 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.59133 -0.38998 -0.57730 -0.02237 -0.12211 140 12YY 0.58953 -0.38535 -0.56828 -0.03547 -0.12419 141 12ZZ 0.58874 -0.38463 -0.56728 -0.03674 -0.12129 142 12XY 0.00196 -0.00346 -0.00629 0.00875 -0.00104 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S -0.00012 0.00155 0.00019 -0.00575 0.02053 146 2S 0.00491 -0.00986 -0.00510 0.02635 -0.09929 147 3S -0.00986 0.00860 0.00680 -0.01758 0.06666 148 4S -0.00510 0.00680 0.00154 -0.02756 0.09704 149 5S 0.02635 -0.01758 -0.02756 0.00244 -0.00420 150 6S -0.09930 0.06667 0.09705 -0.00419 0.04225 151 7PX -0.00114 0.00224 0.00252 -0.00251 0.00354 152 7PY -0.00013 0.00050 0.00041 -0.00024 0.00171 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00240 -0.00329 -0.00548 0.00326 0.01085 155 8PY -0.00010 0.00011 -0.00026 -0.00426 0.01387 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX -0.00205 0.00403 0.00790 -0.00380 -0.02695 158 9PY 0.00090 -0.00083 -0.00001 0.00969 -0.03227 159 9PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 160 10PX -0.01703 0.01372 0.02180 -0.00566 -0.01177 161 10PY -0.00303 0.00142 0.00265 0.00850 -0.02065 162 10PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 163 11XX 0.00874 -0.00682 -0.00630 0.00990 -0.04098 164 11YY 0.00829 -0.00659 -0.00553 0.01082 -0.04514 165 11ZZ 0.00865 -0.00662 -0.00601 0.00929 -0.04053 166 11XY 0.00017 -0.00008 -0.00032 -0.00065 0.00265 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.01980 -0.01311 -0.01797 0.00239 -0.01989 170 12YY 0.02285 -0.01559 -0.02195 0.00369 -0.01812 171 12ZZ 0.01972 -0.01340 -0.01865 0.00333 -0.01773 172 12XY -0.00078 0.00052 0.00084 0.00042 -0.00156 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 122 123 124 125 121 7PX 2.30158 122 7PY -0.00159 2.30399 123 7PZ 0.00000 0.00000 2.30482 124 8PX -0.85519 0.00486 0.00000 2.43921 125 8PY 0.00486 -0.86242 0.00000 -0.01479 2.46069 126 8PZ 0.00000 0.00000 -0.86480 0.00000 0.00000 127 9PX 0.04710 -0.00924 0.00000 -0.28111 0.02736 128 9PY -0.00936 0.06174 0.00000 0.02747 -0.32141 129 9PZ 0.00000 0.00000 0.06611 0.00000 0.00000 130 10PX 0.11348 -0.01155 0.00000 -0.26511 0.03647 131 10PY -0.01110 0.12629 0.00000 0.03882 -0.32057 132 10PZ 0.00000 0.00000 0.13245 0.00000 0.00000 133 11XX 0.01507 0.00549 0.00000 -0.01632 -0.00370 134 11YY 0.01118 0.00627 0.00000 -0.00550 -0.00553 135 11ZZ 0.01094 0.00491 0.00000 -0.00462 -0.00188 136 11XY 0.00142 0.00211 0.00000 -0.00408 -0.00603 137 11XZ 0.00000 0.00000 0.00169 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00076 0.00000 0.00000 139 12XX 0.00753 0.00746 0.00000 0.01721 -0.00230 140 12YY 0.01934 0.00224 0.00000 -0.01073 0.00944 141 12ZZ 0.01866 0.00673 0.00000 -0.00963 -0.00069 142 12XY -0.00221 -0.00667 0.00000 0.00478 0.01744 143 12XZ 0.00000 0.00000 -0.00698 0.00000 0.00000 144 12YZ 0.00000 0.00000 -0.00297 0.00000 0.00000 145 8 Br 1S -0.00005 0.00003 0.00000 0.00032 -0.00002 146 2S 0.00114 0.00013 0.00000 -0.00240 0.00010 147 3S -0.00224 -0.00050 0.00000 0.00329 -0.00011 148 4S -0.00252 -0.00041 0.00000 0.00548 0.00026 149 5S 0.00251 0.00024 0.00000 -0.00326 0.00425 150 6S -0.00354 -0.00172 0.00000 -0.01087 -0.01385 151 7PX 0.00141 0.00022 0.00000 -0.00431 -0.00065 152 7PY 0.00022 0.00013 0.00000 -0.00065 -0.00044 153 7PZ 0.00000 0.00000 -0.00035 0.00000 0.00000 154 8PX -0.00431 -0.00065 0.00000 0.01318 0.00185 155 8PY -0.00065 -0.00044 0.00000 0.00186 0.00145 156 8PZ 0.00000 0.00000 0.00109 0.00000 0.00000 157 9PX 0.00798 0.00131 0.00000 -0.02404 -0.00318 158 9PY 0.00142 0.00067 0.00000 -0.00369 -0.00262 159 9PZ 0.00000 0.00000 -0.00203 0.00000 0.00000 160 10PX 0.00844 0.00016 0.00000 -0.02721 -0.00518 161 10PY 0.00026 0.00118 0.00000 -0.00285 -0.00265 162 10PZ 0.00000 0.00000 -0.00204 0.00000 0.00000 163 11XX 0.00171 0.00046 0.00000 -0.00185 0.00016 164 11YY 0.00148 0.00044 0.00000 -0.00113 0.00011 165 11ZZ 0.00157 0.00052 0.00000 -0.00144 -0.00001 166 11XY -0.00005 0.00002 0.00000 0.00012 -0.00004 167 11XZ 0.00000 0.00000 -0.00014 0.00000 0.00000 168 11YZ 0.00000 0.00000 -0.00001 0.00000 0.00000 169 12XX 0.00209 0.00052 0.00000 -0.00089 0.00165 170 12YY 0.00185 0.00064 0.00000 -0.00025 0.00215 171 12ZZ 0.00164 0.00030 0.00000 0.00056 0.00225 172 12XY 0.00026 -0.00009 0.00000 -0.00063 0.00003 173 12XZ 0.00000 0.00000 0.00029 0.00000 0.00000 174 12YZ 0.00000 0.00000 -0.00007 0.00000 0.00000 126 127 128 129 130 126 8PZ 2.46729 127 9PX 0.00000 0.61152 128 9PY 0.00000 -0.04974 0.68388 129 9PZ -0.33108 0.00000 0.00000 0.69526 130 10PX -0.00001 0.44117 -0.06715 0.00001 0.32906 131 10PY 0.00000 -0.07290 0.54934 0.00000 -0.07541 132 10PZ -0.34906 0.00001 0.00000 0.60067 0.00001 133 11XX 0.00000 0.02063 0.00228 0.00000 0.05004 134 11YY 0.00000 0.00009 0.00560 0.00000 0.04432 135 11ZZ 0.00000 -0.00148 -0.00129 0.00000 0.04287 136 11XY 0.00000 0.00784 0.01123 0.00000 0.00118 137 11XZ -0.00486 0.00000 0.00000 0.00879 0.00000 138 11YZ -0.00214 0.00000 0.00000 0.00391 0.00000 139 12XX 0.00000 -0.04587 -0.00353 0.00000 -0.01696 140 12YY 0.00000 0.00169 -0.02295 0.00000 0.01840 141 12ZZ 0.00000 0.00012 -0.00605 0.00000 0.01624 142 12XY 0.00000 -0.00801 -0.03045 0.00000 -0.00408 143 12XZ 0.01899 0.00000 0.00000 -0.03319 0.00000 144 12YZ 0.00782 0.00000 0.00000 -0.01355 0.00000 145 8 Br 1S 0.00000 -0.00014 0.00017 0.00000 -0.00329 146 2S 0.00000 0.00205 -0.00090 0.00000 0.01703 147 3S 0.00000 -0.00403 0.00083 0.00000 -0.01373 148 4S 0.00000 -0.00790 0.00001 0.00000 -0.02180 149 5S 0.00000 0.00379 -0.00968 0.00000 0.00565 150 6S 0.00000 0.02698 0.03223 0.00001 0.01180 151 7PX 0.00000 0.00798 0.00141 0.00000 0.00844 152 7PY 0.00000 0.00131 0.00067 0.00000 0.00016 153 7PZ 0.00109 0.00000 0.00000 -0.00203 0.00000 154 8PX 0.00000 -0.02404 -0.00368 0.00000 -0.02720 155 8PY 0.00000 -0.00319 -0.00262 0.00000 -0.00519 156 8PZ -0.00344 0.00000 0.00000 0.00658 0.00000 157 9PX 0.00000 0.04365 0.00599 0.00000 0.04993 158 9PY 0.00000 0.00600 0.00503 0.00000 0.01167 159 9PZ 0.00658 0.00000 0.00000 -0.01267 0.00000 160 10PX 0.00000 0.04994 0.01165 0.00000 0.04877 161 10PY 0.00000 0.00554 0.00436 0.00000 0.00833 162 10PZ 0.00550 0.00000 0.00000 -0.01020 0.00000 163 11XX 0.00000 0.00217 -0.00072 0.00000 0.00782 164 11YY 0.00000 0.00084 -0.00065 0.00000 0.00722 165 11ZZ 0.00000 0.00139 -0.00034 0.00000 0.00800 166 11XY 0.00000 -0.00020 0.00009 0.00000 -0.00047 167 11XZ 0.00043 0.00000 0.00000 -0.00077 0.00000 168 11YZ 0.00007 0.00000 0.00000 -0.00009 0.00000 169 12XX 0.00000 -0.00031 -0.00412 0.00000 0.00377 170 12YY 0.00000 -0.00144 -0.00540 0.00000 0.00190 171 12ZZ 0.00000 -0.00298 -0.00521 0.00000 0.00077 172 12XY 0.00000 0.00106 0.00005 0.00000 0.00117 173 12XZ -0.00084 0.00000 0.00000 0.00146 0.00000 174 12YZ -0.00005 0.00000 0.00000 0.00018 0.00000 131 132 133 134 135 131 10PY 0.44826 132 10PZ 0.00000 0.52328 133 11XX 0.01985 0.00000 2.71396 134 11YY 0.02255 0.00000 -0.25844 2.71557 135 11ZZ 0.02010 0.00000 -0.25851 -0.25828 2.71566 136 11XY 0.00536 0.00000 -0.00057 -0.00049 -0.00009 137 11XZ 0.00000 0.00639 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00249 0.00000 0.00000 0.00000 139 12XX 0.00763 0.00000 0.28365 0.22205 0.22268 140 12YY -0.01056 0.00000 0.21560 0.28583 0.22242 141 12ZZ 0.00282 0.00000 0.21527 0.22161 0.28580 142 12XY -0.02382 0.00000 0.00219 0.00146 0.00029 143 12XZ 0.00000 -0.02886 0.00000 0.00000 0.00000 144 12YZ 0.00000 -0.01176 0.00000 0.00000 0.00000 145 8 Br 1S -0.00069 0.00000 -0.00130 -0.00120 -0.00130 146 2S 0.00303 0.00000 0.00874 0.00829 0.00865 147 3S -0.00142 0.00000 -0.00682 -0.00659 -0.00662 148 4S -0.00264 0.00000 -0.00630 -0.00553 -0.00601 149 5S -0.00850 0.00000 0.00990 0.01082 0.00929 150 6S 0.02062 0.00001 -0.04098 -0.04514 -0.04053 151 7PX 0.00026 0.00000 -0.00171 -0.00148 -0.00157 152 7PY 0.00118 0.00000 -0.00046 -0.00044 -0.00052 153 7PZ 0.00000 -0.00204 0.00000 0.00000 0.00000 154 8PX -0.00284 0.00000 0.00185 0.00113 0.00144 155 8PY -0.00265 0.00000 -0.00016 -0.00011 0.00001 156 8PZ 0.00000 0.00550 0.00000 0.00000 0.00000 157 9PX 0.00552 0.00000 -0.00217 -0.00084 -0.00139 158 9PY 0.00436 0.00000 0.00072 0.00065 0.00034 159 9PZ 0.00000 -0.01019 0.00000 0.00000 0.00000 160 10PX 0.00831 0.00000 -0.00782 -0.00722 -0.00800 161 10PY 0.00339 0.00000 -0.00078 -0.00149 -0.00086 162 10PZ 0.00000 -0.00841 0.00000 0.00000 0.00000 163 11XX 0.00078 0.00000 0.00572 0.00557 0.00561 164 11YY 0.00148 0.00000 0.00557 0.00551 0.00551 165 11ZZ 0.00086 0.00000 0.00561 0.00551 0.00554 166 11XY -0.00024 0.00000 0.00005 0.00002 0.00002 167 11XZ 0.00000 -0.00069 0.00000 0.00000 0.00000 168 11YZ 0.00000 -0.00038 0.00000 0.00000 0.00000 169 12XX -0.00228 0.00000 0.00847 0.00934 0.00831 170 12YY -0.00337 0.00000 0.00991 0.01059 0.00973 171 12ZZ -0.00319 0.00000 0.00851 0.00937 0.00839 172 12XY 0.00009 0.00000 -0.00036 -0.00030 -0.00030 173 12XZ 0.00000 0.00135 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00009 0.00000 0.00000 0.00000 136 137 138 139 140 136 11XY 1.98214 137 11XZ 0.00000 1.98231 138 11YZ 0.00000 -0.00021 1.98262 139 12XX -0.00244 0.00000 0.00000 0.08763 140 12YY -0.00312 0.00000 0.00000 0.08175 0.08346 141 12ZZ -0.00435 0.00000 0.00000 0.08124 0.08103 142 12XY 0.04401 0.00000 0.00000 0.00193 0.00175 143 12XZ 0.00000 0.04312 0.00051 0.00000 0.00000 144 12YZ 0.00000 0.00050 0.04242 0.00000 0.00000 145 8 Br 1S -0.00004 0.00000 0.00000 -0.00406 -0.00465 146 2S 0.00017 0.00000 0.00000 0.01980 0.02285 147 3S -0.00008 0.00000 0.00000 -0.01311 -0.01559 148 4S -0.00032 0.00000 0.00000 -0.01796 -0.02195 149 5S -0.00065 0.00000 0.00000 0.00239 0.00369 150 6S 0.00265 0.00000 0.00000 -0.01989 -0.01812 151 7PX 0.00005 0.00000 0.00000 -0.00209 -0.00185 152 7PY -0.00002 0.00000 0.00000 -0.00052 -0.00064 153 7PZ 0.00000 0.00014 0.00001 0.00000 0.00000 154 8PX -0.00012 0.00000 0.00000 0.00089 0.00026 155 8PY 0.00004 0.00000 0.00000 -0.00166 -0.00215 156 8PZ 0.00000 -0.00043 -0.00007 0.00000 0.00000 157 9PX 0.00020 0.00000 0.00000 0.00031 0.00144 158 9PY -0.00009 0.00000 0.00000 0.00412 0.00541 159 9PZ 0.00000 0.00077 0.00009 0.00000 0.00000 160 10PX 0.00047 0.00000 0.00000 -0.00377 -0.00190 161 10PY 0.00024 0.00000 0.00000 0.00228 0.00338 162 10PZ 0.00000 0.00069 0.00038 0.00000 0.00000 163 11XX 0.00005 0.00000 0.00000 0.00847 0.00991 164 11YY 0.00002 0.00000 0.00000 0.00934 0.01059 165 11ZZ 0.00002 0.00000 0.00000 0.00830 0.00973 166 11XY 0.00001 0.00000 0.00000 -0.00047 -0.00043 167 11XZ 0.00000 0.00000 -0.00001 0.00000 0.00000 168 11YZ 0.00000 -0.00001 -0.00001 0.00000 0.00000 169 12XX -0.00047 0.00000 0.00000 0.00551 0.00586 170 12YY -0.00043 0.00000 0.00000 0.00586 0.00629 171 12ZZ -0.00047 0.00000 0.00000 0.00543 0.00579 172 12XY -0.00001 0.00000 0.00000 0.00007 0.00016 173 12XZ 0.00000 0.00004 0.00003 0.00000 0.00000 174 12YZ 0.00000 0.00003 0.00005 0.00000 0.00000 141 142 143 144 145 141 12ZZ 0.08197 142 12XY 0.00077 0.00282 143 12XZ 0.00000 0.00000 0.00258 144 12YZ 0.00000 0.00000 0.00068 0.00120 145 8 Br 1S -0.00400 0.00016 0.00000 0.00000 2.39617 146 2S 0.01972 -0.00078 0.00000 0.00000 -1.27293 147 3S -0.01340 0.00052 0.00000 0.00000 0.48888 148 4S -0.01865 0.00084 0.00000 0.00000 0.74717 149 5S 0.00333 0.00042 0.00000 0.00000 0.14146 150 6S -0.01773 -0.00155 0.00000 0.00000 0.22688 151 7PX -0.00163 -0.00026 0.00000 0.00000 0.00011 152 7PY -0.00030 0.00009 0.00000 0.00000 0.00004 153 7PZ 0.00000 0.00000 -0.00029 0.00007 0.00000 154 8PX -0.00056 0.00063 0.00000 0.00000 -0.00163 155 8PY -0.00225 -0.00003 0.00000 0.00000 -0.00072 156 8PZ 0.00000 0.00000 0.00084 0.00005 0.00000 157 9PX 0.00298 -0.00106 0.00000 0.00000 -0.00023 158 9PY 0.00522 -0.00005 0.00000 0.00000 -0.00019 159 9PZ 0.00000 0.00000 -0.00147 -0.00018 0.00000 160 10PX -0.00077 -0.00117 0.00000 0.00000 0.01985 161 10PY 0.00319 -0.00009 0.00000 0.00000 0.00906 162 10PZ 0.00000 0.00000 -0.00135 -0.00009 0.00000 163 11XX 0.00851 -0.00036 0.00000 0.00000 -0.39275 164 11YY 0.00937 -0.00030 0.00000 0.00000 -0.39283 165 11ZZ 0.00839 -0.00030 0.00000 0.00000 -0.39287 166 11XY -0.00047 -0.00001 0.00000 0.00000 0.00008 167 11XZ 0.00000 0.00000 0.00004 0.00003 0.00000 168 11YZ 0.00000 0.00000 0.00003 0.00005 0.00000 169 12XX 0.00543 0.00007 0.00000 0.00000 -0.12441 170 12YY 0.00579 0.00016 0.00000 0.00000 -0.12442 171 12ZZ 0.00530 0.00013 0.00000 0.00000 -0.12428 172 12XY 0.00013 0.00001 0.00000 0.00000 -0.00017 173 12XZ 0.00000 0.00000 -0.00016 -0.00006 0.00000 174 12YZ 0.00000 0.00000 -0.00006 -0.00001 0.00000 146 147 148 149 150 146 2S 4.75205 147 3S -2.59528 2.01328 148 4S -3.79572 2.98684 4.46513 149 5S -0.52981 0.08171 -0.05788 0.99677 150 6S -0.98539 0.47733 0.58566 0.66156 0.63978 151 7PX -0.00746 0.01662 0.01690 -0.02180 0.04280 152 7PY -0.00331 0.00737 0.00768 -0.00670 0.01232 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.01348 -0.02040 -0.03204 0.02971 0.04746 155 8PY 0.00585 -0.00868 -0.01434 0.00826 0.03075 156 8PZ 0.00000 0.00000 -0.00001 0.00000 0.00002 157 9PX -0.00742 0.02071 0.04614 -0.03748 -0.15111 158 9PY -0.00256 0.00798 0.01983 -0.00866 -0.07999 159 9PZ 0.00000 0.00000 0.00001 0.00000 -0.00005 160 10PX -0.10260 0.08321 0.13592 -0.03971 -0.08392 161 10PY -0.04698 0.03825 0.06374 -0.01517 -0.04655 162 10PZ -0.00002 0.00001 0.00002 0.00000 -0.00004 163 11XX 1.82279 -1.13294 -1.66523 -0.16305 -0.35130 164 11YY 1.82362 -1.13415 -1.66761 -0.15256 -0.37205 165 11ZZ 1.82376 -1.13410 -1.66795 -0.15199 -0.37266 166 11XY -0.00062 0.00070 0.00169 -0.00687 0.01346 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.59133 -0.38998 -0.57730 -0.02237 -0.12211 170 12YY 0.58953 -0.38536 -0.56829 -0.03547 -0.12419 171 12ZZ 0.58875 -0.38463 -0.56728 -0.03674 -0.12130 172 12XY 0.00196 -0.00346 -0.00629 0.00875 -0.00104 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 152 153 154 155 151 7PX 2.30158 152 7PY -0.00159 2.30399 153 7PZ 0.00000 0.00000 2.30482 154 8PX -0.85519 0.00486 0.00000 2.43921 155 8PY 0.00487 -0.86242 0.00000 -0.01479 2.46068 156 8PZ 0.00000 0.00000 -0.86480 -0.00001 0.00000 157 9PX 0.04710 -0.00924 0.00000 -0.28112 0.02737 158 9PY -0.00937 0.06174 0.00000 0.02748 -0.32140 159 9PZ 0.00000 0.00000 0.06611 0.00001 0.00000 160 10PX 0.11349 -0.01155 -0.00001 -0.26512 0.03648 161 10PY -0.01110 0.12628 0.00000 0.03883 -0.32055 162 10PZ 0.00000 0.00000 0.13245 0.00002 0.00001 163 11XX -0.01507 -0.00550 0.00000 0.01632 0.00370 164 11YY -0.01118 -0.00627 0.00000 0.00550 0.00553 165 11ZZ -0.01094 -0.00492 0.00000 0.00462 0.00188 166 11XY -0.00142 -0.00211 0.00000 0.00408 0.00603 167 11XZ 0.00000 0.00000 -0.00169 0.00000 0.00000 168 11YZ 0.00000 0.00000 -0.00076 0.00000 0.00000 169 12XX -0.00753 -0.00747 0.00000 -0.01721 0.00231 170 12YY -0.01934 -0.00224 0.00000 0.01073 -0.00944 171 12ZZ -0.01866 -0.00674 0.00000 0.00963 0.00069 172 12XY 0.00221 0.00667 0.00000 -0.00478 -0.01743 173 12XZ 0.00000 0.00000 0.00698 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00297 0.00000 0.00000 156 157 158 159 160 156 8PZ 2.46729 157 9PX 0.00001 0.61155 158 9PY 0.00000 -0.04976 0.68386 159 9PZ -0.33108 -0.00002 -0.00001 0.69527 160 10PX 0.00002 0.44119 -0.06717 -0.00003 0.32908 161 10PY 0.00001 -0.07292 0.54931 -0.00002 -0.07543 162 10PZ -0.34906 -0.00003 -0.00002 0.60067 -0.00004 163 11XX 0.00000 -0.02063 -0.00228 0.00000 -0.05004 164 11YY 0.00000 -0.00009 -0.00561 0.00000 -0.04431 165 11ZZ 0.00000 0.00148 0.00129 0.00000 -0.04287 166 11XY 0.00000 -0.00785 -0.01123 0.00000 -0.00118 167 11XZ 0.00486 0.00000 0.00000 -0.00878 0.00000 168 11YZ 0.00214 0.00000 0.00000 -0.00392 0.00000 169 12XX 0.00000 0.04587 0.00352 0.00000 0.01696 170 12YY 0.00000 -0.00169 0.02296 0.00000 -0.01840 171 12ZZ -0.00001 -0.00011 0.00604 0.00001 -0.01624 172 12XY 0.00000 0.00801 0.03045 0.00000 0.00408 173 12XZ -0.01899 0.00000 0.00000 0.03318 0.00000 174 12YZ -0.00783 0.00000 0.00000 0.01356 0.00000 161 162 163 164 165 161 10PY 0.44823 162 10PZ -0.00002 0.52327 163 11XX -0.01985 -0.00001 2.71396 164 11YY -0.02256 -0.00001 -0.25844 2.71557 165 11ZZ -0.02011 -0.00001 -0.25851 -0.25828 2.71566 166 11XY -0.00536 0.00000 -0.00057 -0.00049 -0.00009 167 11XZ 0.00000 -0.00639 0.00000 0.00000 0.00000 168 11YZ 0.00000 -0.00249 0.00000 0.00000 0.00000 169 12XX -0.00763 0.00000 0.28365 0.22205 0.22268 170 12YY 0.01057 0.00000 0.21560 0.28583 0.22242 171 12ZZ -0.00283 0.00001 0.21527 0.22161 0.28580 172 12XY 0.02381 0.00000 0.00219 0.00146 0.00029 173 12XZ 0.00000 0.02886 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.01176 0.00000 0.00000 0.00000 166 167 168 169 170 166 11XY 1.98214 167 11XZ 0.00000 1.98231 168 11YZ 0.00000 -0.00021 1.98262 169 12XX -0.00244 0.00000 0.00000 0.08763 170 12YY -0.00312 0.00000 0.00000 0.08175 0.08346 171 12ZZ -0.00435 0.00000 0.00000 0.08124 0.08103 172 12XY 0.04401 0.00000 0.00000 0.00193 0.00175 173 12XZ 0.00000 0.04312 0.00052 0.00000 0.00000 174 12YZ 0.00000 0.00050 0.04242 0.00000 0.00000 171 172 173 174 171 12ZZ 0.08197 172 12XY 0.00077 0.00282 173 12XZ 0.00000 0.00000 0.00258 174 12YZ 0.00000 0.00000 0.00068 0.00120 Full Mulliken population analysis: 1 2 3 4 5 1 1 Al 1S 2.12971 2 2S -0.13259 2.23905 3 2PX 0.00000 0.00000 2.03262 4 2PY 0.00000 0.00000 0.00000 2.01751 5 2PZ 0.00000 0.00000 0.00000 0.00000 2.05250 6 3S -0.00024 -0.02476 0.00000 0.00000 0.00000 7 3PX 0.00000 0.00000 -0.01513 0.00000 0.00000 8 3PY 0.00000 0.00000 0.00000 -0.01152 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 -0.01701 10 4S 0.00042 -0.00947 0.00000 0.00000 0.00000 11 4PX 0.00000 0.00000 -0.00066 0.00000 0.00000 12 4PY 0.00000 0.00000 0.00000 -0.00071 0.00000 13 4PZ 0.00000 0.00000 0.00000 0.00000 0.00001 14 5XX 0.00005 -0.00472 0.00000 0.00000 0.00000 15 5YY 0.00005 -0.00511 0.00000 0.00000 0.00000 16 5ZZ 0.00005 -0.00594 0.00000 0.00000 0.00000 17 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 18 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 19 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 20 2 Al 1S 0.00000 0.00000 0.00000 0.00000 0.00000 21 2S 0.00000 0.00000 0.00000 0.00000 0.00000 22 2PX 0.00000 0.00000 0.00001 0.00000 0.00000 23 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 24 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 25 3S 0.00000 0.00112 -0.00117 -0.00029 0.00000 26 3PX 0.00004 -0.00039 -0.00275 -0.00110 0.00000 27 3PY 0.00001 -0.00020 -0.00113 -0.00001 0.00000 28 3PZ 0.00000 0.00000 0.00000 0.00000 0.00057 29 4S -0.00009 0.00212 0.00027 0.00003 0.00000 30 4PX -0.00007 0.00161 0.00003 0.00016 0.00000 31 4PY -0.00002 0.00022 0.00022 0.00015 0.00000 32 4PZ 0.00000 0.00000 0.00000 0.00000 -0.00009 33 5XX 0.00002 -0.00132 -0.00096 -0.00084 0.00000 34 5YY 0.00000 -0.00021 -0.00010 0.00001 0.00000 35 5ZZ 0.00000 0.00004 0.00006 0.00002 0.00000 36 5XY 0.00001 -0.00042 -0.00128 -0.00002 0.00000 37 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 38 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 39 3 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 40 2S 0.00000 0.00003 0.00004 0.00001 0.00008 41 2PX 0.00000 0.00004 0.00002 0.00002 0.00007 42 2PY 0.00000 0.00001 0.00002 0.00000 0.00002 43 2PZ 0.00000 0.00002 0.00005 0.00001 0.00005 44 3S 0.00005 -0.00356 -0.00227 -0.00057 -0.00468 45 3PX 0.00018 -0.01008 -0.00138 -0.00173 -0.00800 46 3PY 0.00005 -0.00267 -0.00172 -0.00043 -0.00211 47 3PZ 0.00014 -0.00655 -0.00536 -0.00142 -0.00454 48 4S -0.00003 0.00230 0.00157 0.00039 -0.00153 49 4PX 0.00013 -0.00405 0.00011 -0.00049 -0.00215 50 4PY 0.00003 -0.00108 -0.00049 -0.00063 -0.00057 51 4PZ 0.00004 -0.00141 0.00008 -0.00003 -0.00029 52 5XX 0.00000 0.00007 0.00024 0.00008 0.00011 53 5YY 0.00000 0.00005 0.00006 -0.00001 -0.00002 54 5ZZ 0.00001 -0.00045 -0.00067 -0.00016 -0.00005 55 5XY 0.00000 -0.00002 0.00008 -0.00001 0.00010 56 5XZ 0.00001 -0.00085 0.00024 -0.00005 0.00011 57 5YZ 0.00000 -0.00023 -0.00005 -0.00002 0.00003 58 4 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 59 2S 0.00000 0.00003 0.00004 0.00001 0.00008 60 2PX 0.00000 0.00004 0.00002 0.00002 0.00007 61 2PY 0.00000 0.00001 0.00002 0.00000 0.00002 62 2PZ 0.00000 0.00002 0.00005 0.00001 0.00005 63 3S 0.00005 -0.00356 -0.00227 -0.00057 -0.00468 64 3PX 0.00018 -0.01007 -0.00138 -0.00172 -0.00800 65 3PY 0.00005 -0.00267 -0.00171 -0.00043 -0.00211 66 3PZ 0.00014 -0.00655 -0.00536 -0.00142 -0.00454 67 4S -0.00003 0.00230 0.00157 0.00039 -0.00153 68 4PX 0.00013 -0.00405 0.00011 -0.00049 -0.00215 69 4PY 0.00003 -0.00108 -0.00049 -0.00063 -0.00057 70 4PZ 0.00004 -0.00141 0.00008 -0.00003 -0.00029 71 5XX 0.00000 0.00007 0.00024 0.00008 0.00011 72 5YY 0.00000 0.00005 0.00006 -0.00001 -0.00002 73 5ZZ 0.00001 -0.00045 -0.00067 -0.00016 -0.00005 74 5XY 0.00000 -0.00002 0.00008 -0.00001 0.00010 75 5XZ 0.00001 -0.00085 0.00024 -0.00005 0.00011 76 5YZ 0.00000 -0.00023 -0.00005 -0.00002 0.00003 77 5 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2S 0.00000 0.00000 0.00000 0.00000 0.00000 79 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 80 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 81 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 3S 0.00000 -0.00001 0.00000 -0.00012 0.00000 83 3PX 0.00000 -0.00001 -0.00002 -0.00004 0.00000 84 3PY 0.00001 -0.00070 -0.00007 -0.00148 0.00000 85 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00003 86 4S 0.00000 0.00017 -0.00001 -0.00006 0.00000 87 4PX 0.00000 -0.00006 -0.00018 -0.00012 0.00000 88 4PY 0.00013 -0.00463 -0.00020 -0.00378 0.00000 89 4PZ 0.00000 0.00000 0.00000 0.00000 -0.00019 90 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 91 5YY 0.00000 -0.00002 0.00000 -0.00004 0.00000 92 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 94 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 99 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 100 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 3S 0.00000 0.00000 0.00000 0.00000 0.00000 102 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 103 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 104 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4S 0.00000 0.00000 0.00000 0.00000 0.00000 106 4PX 0.00000 -0.00001 0.00000 0.00001 0.00000 107 4PY 0.00000 -0.00002 -0.00001 0.00001 0.00000 108 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 109 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 110 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 111 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 7 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00000 0.00000 0.00000 0.00000 0.00000 117 3S 0.00000 0.00000 0.00000 0.00000 0.00000 118 4S 0.00000 0.00000 0.00000 0.00000 0.00000 119 5S 0.00000 0.00000 -0.00004 -0.00001 0.00000 120 6S 0.00001 0.00019 0.00024 0.00004 0.00000 121 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 122 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX 0.00000 -0.00021 -0.00041 -0.00011 0.00000 128 9PY 0.00000 -0.00006 -0.00015 0.00000 0.00000 129 9PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 130 10PX 0.00010 -0.00422 -0.00276 -0.00093 0.00000 131 10PY 0.00004 -0.00126 -0.00124 0.00000 0.00000 132 10PZ 0.00000 0.00000 0.00000 0.00000 -0.00017 133 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00000 -0.00019 -0.00030 -0.00009 0.00000 140 12YY 0.00000 -0.00001 -0.00004 0.00000 0.00000 141 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 12XY 0.00000 -0.00013 -0.00016 0.00000 0.00000 143 12XZ 0.00000 0.00000 0.00000 0.00000 -0.00001 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3S 0.00000 0.00000 0.00000 0.00000 0.00000 148 4S 0.00000 0.00000 0.00000 0.00000 0.00000 149 5S 0.00000 0.00000 0.00000 0.00000 0.00000 150 6S 0.00000 0.00000 0.00000 0.00000 0.00000 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 158 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX 0.00000 -0.00002 0.00000 0.00000 0.00000 161 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 164 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 165 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 7 8 9 10 6 3S 0.71719 7 3PX 0.00000 0.34708 8 3PY 0.00000 0.00000 0.32172 9 3PZ 0.00000 0.00000 0.00000 0.27187 10 4S 0.02079 0.00000 0.00000 0.00000 0.30096 11 4PX 0.00000 0.01575 0.00000 0.00000 0.00000 12 4PY 0.00000 0.00000 0.00559 0.00000 0.00000 13 4PZ 0.00000 0.00000 0.00000 0.00283 0.00000 14 5XX -0.02081 0.00000 0.00000 0.00000 -0.01226 15 5YY -0.04082 0.00000 0.00000 0.00000 0.01077 16 5ZZ -0.03416 0.00000 0.00000 0.00000 0.00078 17 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 18 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 19 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 20 2 Al 1S 0.00000 0.00004 0.00001 0.00000 -0.00009 21 2S 0.00112 -0.00039 -0.00020 0.00000 0.00212 22 2PX -0.00117 -0.00275 -0.00113 0.00000 0.00027 23 2PY -0.00029 -0.00110 -0.00001 0.00000 0.00003 24 2PZ 0.00000 0.00000 0.00000 0.00057 0.00000 25 3S -0.00380 0.01917 0.00454 0.00000 -0.02816 26 3PX 0.01917 0.02401 0.00909 0.00000 -0.02524 27 3PY 0.00454 0.00909 -0.00164 0.00000 -0.00497 28 3PZ 0.00000 0.00000 0.00000 -0.01571 0.00000 29 4S -0.02817 -0.02524 -0.00497 0.00000 -0.16772 30 4PX -0.02629 -0.00154 -0.00310 0.00000 -0.07598 31 4PY -0.00670 -0.00540 0.00178 0.00000 -0.02078 32 4PZ 0.00000 0.00000 0.00000 -0.00082 0.00000 33 5XX 0.01625 0.00879 0.01066 0.00000 0.00529 34 5YY 0.00136 0.00263 -0.00076 0.00000 0.00013 35 5ZZ -0.00551 -0.00870 -0.00221 0.00000 0.00051 36 5XY 0.00594 0.00821 0.00004 0.00000 0.00075 37 5XZ 0.00000 0.00000 0.00000 -0.00061 0.00000 38 5YZ 0.00000 0.00000 0.00000 -0.00019 0.00000 39 3 Cl 1S 0.00017 0.00013 0.00003 0.00027 -0.00006 40 2S -0.00681 -0.00497 -0.00126 -0.00972 0.00206 41 2PX -0.00235 -0.00021 -0.00077 -0.00337 0.00016 42 2PY -0.00063 -0.00077 -0.00051 -0.00089 0.00002 43 2PZ -0.00298 -0.00288 -0.00076 -0.00087 -0.00001 44 3S 0.04160 0.02459 0.00584 0.05604 -0.01119 45 3PX 0.05439 -0.00234 0.01468 0.06254 0.00405 46 3PY 0.01444 0.01452 0.01706 0.01646 0.00162 47 3PZ 0.05369 0.04413 0.01159 0.00582 -0.00141 48 4S -0.06636 -0.04272 -0.01122 -0.01477 -0.00049 49 4PX 0.00939 -0.00424 0.00190 0.00600 -0.00413 50 4PY 0.00264 0.00192 0.00100 0.00158 -0.00049 51 4PZ -0.00490 -0.00957 -0.00204 -0.00749 0.00345 52 5XX -0.00167 -0.00475 0.00019 0.00230 0.00063 53 5YY -0.00360 -0.00197 -0.00123 -0.00028 0.00056 54 5ZZ 0.01019 0.01217 0.00303 0.00166 -0.00144 55 5XY 0.00023 0.00000 0.00083 0.00041 -0.00001 56 5XZ 0.00243 0.00007 0.00095 0.00076 0.00010 57 5YZ 0.00065 0.00096 0.00129 0.00020 0.00003 58 4 Cl 1S 0.00017 0.00013 0.00003 0.00027 -0.00006 59 2S -0.00681 -0.00497 -0.00126 -0.00972 0.00206 60 2PX -0.00235 -0.00021 -0.00077 -0.00337 0.00016 61 2PY -0.00063 -0.00077 -0.00051 -0.00089 0.00002 62 2PZ -0.00298 -0.00288 -0.00076 -0.00087 -0.00001 63 3S 0.04160 0.02458 0.00584 0.05605 -0.01119 64 3PX 0.05437 -0.00234 0.01467 0.06254 0.00405 65 3PY 0.01443 0.01451 0.01706 0.01645 0.00162 66 3PZ 0.05371 0.04413 0.01158 0.00584 -0.00142 67 4S -0.06635 -0.04271 -0.01121 -0.01478 -0.00047 68 4PX 0.00938 -0.00424 0.00190 0.00600 -0.00413 69 4PY 0.00264 0.00193 0.00100 0.00158 -0.00049 70 4PZ -0.00490 -0.00957 -0.00204 -0.00748 0.00345 71 5XX -0.00168 -0.00475 0.00019 0.00230 0.00063 72 5YY -0.00360 -0.00197 -0.00123 -0.00028 0.00056 73 5ZZ 0.01020 0.01217 0.00303 0.00167 -0.00144 74 5XY 0.00023 0.00000 0.00083 0.00041 -0.00001 75 5XZ 0.00243 0.00007 0.00095 0.00076 0.00010 76 5YZ 0.00065 0.00096 0.00129 0.00020 0.00003 77 5 Cl 1S 0.00000 0.00000 0.00003 0.00000 -0.00004 78 2S 0.00003 -0.00003 -0.00100 0.00000 0.00140 79 2PX 0.00002 -0.00010 -0.00010 0.00000 -0.00008 80 2PY -0.00082 -0.00014 -0.00295 0.00000 0.00006 81 2PZ 0.00000 0.00000 0.00000 -0.00015 0.00000 82 3S -0.00179 0.00013 0.00941 0.00000 -0.00638 83 3PX -0.00097 0.00435 0.00323 0.00000 0.00428 84 3PY 0.03191 0.00440 0.08764 0.00000 -0.00123 85 3PZ 0.00000 0.00000 0.00000 0.00614 0.00000 86 4S -0.00890 -0.00025 -0.01607 0.00000 0.00201 87 4PX -0.00174 0.00637 0.00248 0.00000 0.00672 88 4PY 0.03734 0.00349 0.05851 0.00000 -0.00214 89 4PZ 0.00000 0.00000 0.00000 0.00905 0.00000 90 5XX -0.00042 -0.00003 -0.00070 0.00000 0.00024 91 5YY 0.00251 0.00029 0.00488 0.00000 -0.00041 92 5ZZ -0.00040 -0.00004 -0.00084 0.00000 -0.00010 93 5XY 0.00001 0.00019 0.00023 0.00000 0.00004 94 5XZ 0.00000 0.00000 0.00000 0.00001 0.00000 95 5YZ 0.00000 0.00000 0.00000 0.00022 0.00000 96 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2S 0.00000 0.00000 0.00000 0.00000 -0.00005 98 2PX 0.00000 0.00000 0.00000 0.00000 0.00004 99 2PY 0.00000 0.00000 0.00000 0.00000 -0.00002 100 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 3S 0.00003 0.00005 0.00002 0.00000 0.00035 102 3PX -0.00014 -0.00002 -0.00024 0.00000 -0.00339 103 3PY 0.00002 0.00013 -0.00026 0.00000 0.00084 104 3PZ 0.00000 0.00000 0.00000 0.00003 0.00000 105 4S 0.00037 0.00042 0.00038 0.00000 -0.00111 106 4PX -0.00088 0.00005 -0.00127 0.00000 -0.00753 107 4PY 0.00065 0.00125 -0.00076 0.00000 0.00136 108 4PZ 0.00000 0.00000 0.00000 0.00031 0.00000 109 5XX 0.00000 0.00000 0.00000 0.00000 -0.00003 110 5YY 0.00000 0.00000 -0.00001 0.00000 0.00008 111 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 5XY 0.00000 0.00000 -0.00001 0.00000 -0.00005 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 7 Br 1S 0.00000 0.00000 0.00000 0.00000 -0.00004 116 2S -0.00007 0.00014 0.00006 0.00000 0.00135 117 3S 0.00014 -0.00040 -0.00016 0.00000 -0.00235 118 4S 0.00052 -0.00117 -0.00048 0.00000 -0.00643 119 5S -0.00029 0.00760 0.00218 0.00000 -0.00421 120 6S -0.01063 -0.02781 -0.00745 0.00000 -0.00032 121 7PX 0.00001 0.00005 0.00001 0.00000 -0.00001 122 7PY 0.00001 0.00002 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX -0.00068 -0.00275 -0.00090 0.00000 -0.00075 125 8PY -0.00045 -0.00111 0.00000 0.00000 0.00064 126 8PZ 0.00000 0.00000 0.00000 -0.00018 0.00000 127 9PX 0.01232 0.04128 0.01448 0.00000 0.01673 128 9PY 0.00825 0.01788 0.00000 0.00000 -0.01218 129 9PZ 0.00000 0.00000 0.00000 0.00352 0.00000 130 10PX 0.02567 0.04785 0.02123 0.00000 0.03986 131 10PY 0.01995 0.02656 0.00024 0.00000 -0.03031 132 10PZ 0.00000 0.00000 0.00000 0.00898 0.00000 133 11XX -0.00039 0.00001 -0.00002 0.00000 0.00167 134 11YY -0.00012 0.00038 0.00022 0.00000 0.00379 135 11ZZ -0.00003 0.00061 0.00020 0.00000 0.00220 136 11XY -0.00006 -0.00011 0.00000 0.00000 -0.00001 137 11XZ 0.00000 0.00000 0.00000 -0.00002 0.00000 138 11YZ 0.00000 0.00000 0.00000 -0.00001 0.00000 139 12XX 0.00357 0.00824 0.00367 0.00000 0.00577 140 12YY 0.00070 0.00372 0.00024 0.00000 0.00050 141 12ZZ -0.00033 0.00177 0.00061 0.00000 0.00208 142 12XY 0.00212 0.00203 0.00000 0.00000 -0.00038 143 12XZ 0.00000 0.00000 0.00000 0.00028 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00001 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 0.00000 0.00007 147 3S 0.00000 0.00000 0.00000 0.00000 -0.00014 148 4S 0.00000 0.00000 0.00000 0.00000 -0.00042 149 5S 0.00000 0.00000 0.00000 0.00000 0.00079 150 6S 0.00036 0.00119 -0.00001 0.00000 -0.00231 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 0.00000 0.00008 155 8PY 0.00000 0.00000 0.00000 0.00000 -0.00001 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX -0.00009 -0.00028 -0.00001 0.00000 -0.00238 158 9PY 0.00000 0.00000 0.00000 0.00000 0.00014 159 9PZ 0.00000 0.00000 0.00000 0.00001 0.00000 160 10PX -0.00059 -0.00110 -0.00010 0.00000 -0.00961 161 10PY 0.00005 0.00005 0.00003 0.00000 0.00050 162 10PZ 0.00000 0.00000 0.00000 0.00029 0.00000 163 11XX 0.00000 0.00000 0.00000 0.00000 0.00026 164 11YY 0.00000 0.00000 0.00000 0.00000 0.00001 165 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00020 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX -0.00009 -0.00023 0.00000 0.00000 0.00052 170 12YY -0.00001 -0.00002 0.00000 0.00000 0.00066 171 12ZZ -0.00001 -0.00004 0.00000 0.00000 0.00046 172 12XY 0.00000 0.00000 0.00000 0.00000 0.00001 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 11 12 13 14 15 11 4PX 0.12672 12 4PY 0.00000 0.05320 13 4PZ 0.00000 0.00000 0.03634 14 5XX 0.00000 0.00000 0.00000 0.03283 15 5YY 0.00000 0.00000 0.00000 -0.00478 0.04248 16 5ZZ 0.00000 0.00000 0.00000 -0.00245 -0.00186 17 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 18 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 19 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 20 2 Al 1S -0.00007 -0.00002 0.00000 0.00002 0.00000 21 2S 0.00161 0.00022 0.00000 -0.00132 -0.00021 22 2PX 0.00003 0.00022 0.00000 -0.00096 -0.00010 23 2PY 0.00016 0.00015 0.00000 -0.00084 0.00001 24 2PZ 0.00000 0.00000 -0.00009 0.00000 0.00000 25 3S -0.02628 -0.00670 0.00000 0.01625 0.00136 26 3PX -0.00154 -0.00540 0.00000 0.00879 0.00263 27 3PY -0.00310 0.00178 0.00000 0.01066 -0.00076 28 3PZ 0.00000 0.00000 -0.00082 0.00000 0.00000 29 4S -0.07598 -0.02079 0.00000 0.00529 0.00013 30 4PX 0.00865 -0.00848 0.00000 0.00141 0.00147 31 4PY -0.00848 0.00843 0.00000 0.00076 0.00018 32 4PZ 0.00000 0.00000 -0.00412 0.00000 0.00000 33 5XX 0.00141 0.00076 0.00000 -0.00341 0.00130 34 5YY 0.00147 0.00018 0.00000 0.00130 -0.00064 35 5ZZ 0.00228 0.00051 0.00000 -0.00045 0.00042 36 5XY 0.00003 0.00003 0.00000 0.00484 -0.00019 37 5XZ 0.00000 0.00000 -0.00039 0.00000 0.00000 38 5YZ 0.00000 0.00000 -0.00006 0.00000 0.00000 39 3 Cl 1S -0.00002 -0.00001 -0.00005 -0.00002 -0.00001 40 2S 0.00077 0.00030 0.00149 0.00077 0.00055 41 2PX -0.00010 0.00002 0.00008 0.00004 0.00012 42 2PY 0.00002 0.00002 0.00002 -0.00031 -0.00045 43 2PZ 0.00005 0.00001 -0.00006 -0.00084 0.00013 44 3S -0.00377 -0.00159 -0.00950 -0.00727 -0.00652 45 3PX -0.00103 0.00019 -0.00138 -0.00002 -0.00368 46 3PY 0.00033 -0.00035 -0.00029 0.00537 0.00608 47 3PZ -0.00132 -0.00041 0.00320 0.01367 -0.00258 48 4S -0.00181 -0.00015 -0.00280 -0.01300 0.00100 49 4PX 0.00387 -0.00064 -0.00115 -0.00145 -0.00078 50 4PY -0.00054 -0.00007 -0.00032 0.00244 -0.00060 51 4PZ 0.00166 0.00069 -0.00021 0.00070 0.00445 52 5XX 0.00014 0.00024 0.00012 -0.00044 0.00012 53 5YY 0.00088 0.00011 0.00005 -0.00070 0.00037 54 5ZZ -0.00110 -0.00036 -0.00072 0.00216 -0.00075 55 5XY 0.00002 0.00004 0.00000 0.00000 0.00002 56 5XZ -0.00005 0.00001 0.00003 0.00004 -0.00017 57 5YZ 0.00001 -0.00001 0.00001 0.00046 0.00062 58 4 Cl 1S -0.00002 -0.00001 -0.00005 -0.00002 -0.00001 59 2S 0.00077 0.00030 0.00149 0.00077 0.00055 60 2PX -0.00010 0.00002 0.00008 0.00004 0.00012 61 2PY 0.00002 0.00002 0.00002 -0.00031 -0.00045 62 2PZ 0.00005 0.00001 -0.00006 -0.00084 0.00013 63 3S -0.00378 -0.00159 -0.00950 -0.00727 -0.00652 64 3PX -0.00103 0.00019 -0.00138 -0.00002 -0.00368 65 3PY 0.00033 -0.00034 -0.00029 0.00537 0.00608 66 3PZ -0.00132 -0.00041 0.00320 0.01366 -0.00259 67 4S -0.00181 -0.00015 -0.00280 -0.01300 0.00100 68 4PX 0.00387 -0.00064 -0.00115 -0.00145 -0.00078 69 4PY -0.00054 -0.00007 -0.00032 0.00244 -0.00060 70 4PZ 0.00166 0.00069 -0.00021 0.00070 0.00445 71 5XX 0.00014 0.00024 0.00012 -0.00044 0.00012 72 5YY 0.00088 0.00011 0.00005 -0.00070 0.00037 73 5ZZ -0.00110 -0.00036 -0.00072 0.00216 -0.00075 74 5XY 0.00002 0.00004 0.00000 0.00000 0.00002 75 5XZ -0.00005 0.00001 0.00003 0.00004 -0.00017 76 5YZ 0.00001 -0.00001 0.00001 0.00046 0.00062 77 5 Cl 1S 0.00000 -0.00008 0.00000 0.00000 0.00001 78 2S -0.00005 0.00216 0.00000 0.00001 -0.00051 79 2PX -0.00062 0.00001 0.00000 0.00000 -0.00005 80 2PY 0.00001 0.00008 0.00000 0.00002 -0.00088 81 2PZ 0.00000 0.00000 -0.00033 0.00000 0.00000 82 3S 0.00014 -0.00562 0.00000 -0.00039 0.00700 83 3PX 0.02847 -0.00075 0.00000 0.00008 0.00199 84 3PY 0.00004 -0.00234 0.00000 -0.00266 0.02656 85 3PZ 0.00000 0.00000 0.01322 0.00000 0.00000 86 4S -0.00054 -0.01155 0.00000 -0.00059 0.00486 87 4PX 0.04533 -0.00070 0.00000 -0.00002 0.00195 88 4PY 0.00020 -0.00206 0.00000 -0.00770 0.02042 89 4PZ 0.00000 0.00000 0.02193 0.00000 0.00000 90 5XX -0.00006 0.00017 0.00000 0.00002 -0.00016 91 5YY 0.00006 -0.00013 0.00000 -0.00008 0.00100 92 5ZZ 0.00003 0.00015 0.00000 0.00001 -0.00018 93 5XY 0.00028 -0.00001 0.00000 0.00002 0.00011 94 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 5YZ 0.00000 0.00000 0.00013 0.00000 0.00000 96 6 Cl 1S 0.00000 0.00001 0.00000 0.00000 0.00000 97 2S 0.00004 -0.00020 0.00000 0.00000 0.00000 98 2PX 0.00001 0.00002 0.00000 0.00000 0.00000 99 2PY -0.00001 0.00000 0.00000 0.00000 0.00000 100 2PZ 0.00000 0.00000 0.00001 0.00000 0.00000 101 3S 0.00001 0.00081 0.00000 0.00000 0.00000 102 3PX -0.00085 -0.00133 0.00000 0.00000 0.00000 103 3PY 0.00037 0.00009 0.00000 0.00000 -0.00002 104 3PZ 0.00000 0.00000 -0.00028 0.00000 0.00000 105 4S -0.00094 -0.00006 0.00000 0.00006 -0.00012 106 4PX -0.00111 -0.00238 0.00000 0.00012 -0.00020 107 4PY 0.00030 -0.00019 0.00000 0.00015 -0.00052 108 4PZ 0.00000 0.00000 -0.00070 0.00000 0.00000 109 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 110 5YY 0.00004 0.00003 0.00000 0.00000 0.00000 111 5ZZ 0.00001 0.00000 0.00000 0.00000 0.00000 112 5XY -0.00001 -0.00001 0.00000 0.00000 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 7 Br 1S -0.00010 -0.00004 0.00000 0.00000 0.00000 116 2S 0.00313 0.00128 0.00000 0.00002 0.00000 117 3S -0.00587 -0.00234 0.00000 -0.00007 0.00001 118 4S -0.01604 -0.00642 0.00000 -0.00032 0.00003 119 5S 0.00729 0.00036 0.00000 0.00174 -0.00018 120 6S -0.02583 -0.00481 0.00000 0.00305 -0.00013 121 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 122 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00001 0.00000 0.00000 124 8PX 0.00046 -0.00044 0.00000 -0.00015 -0.00006 125 8PY -0.00074 -0.00047 0.00000 -0.00023 0.00002 126 8PZ 0.00000 0.00000 -0.00075 0.00000 0.00000 127 9PX -0.00637 0.00816 0.00000 0.00272 0.00156 128 9PY 0.01325 0.00906 0.00000 0.00500 -0.00030 129 9PZ 0.00000 0.00000 0.01283 0.00000 0.00000 130 10PX -0.00813 0.01514 0.00000 0.00537 0.00423 131 10PY 0.02525 0.02708 0.00000 0.00920 -0.00223 132 10PZ 0.00000 0.00000 0.03339 0.00000 0.00000 133 11XX 0.00675 0.00209 0.00000 0.00012 -0.00002 134 11YY 0.00491 0.00279 0.00000 0.00007 0.00000 135 11ZZ 0.00611 0.00228 0.00000 0.00006 -0.00001 136 11XY 0.00000 -0.00001 0.00000 -0.00001 0.00000 137 11XZ 0.00000 0.00000 -0.00002 0.00000 0.00000 138 11YZ 0.00000 0.00000 -0.00001 0.00000 0.00000 139 12XX 0.00652 0.00492 0.00000 0.00046 0.00005 140 12YY 0.01211 0.00149 0.00000 0.00023 -0.00005 141 12ZZ 0.00926 0.00264 0.00000 0.00005 -0.00004 142 12XY 0.00017 0.00028 0.00000 0.00041 -0.00004 143 12XZ 0.00000 0.00000 0.00056 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00014 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S -0.00009 -0.00001 0.00000 0.00000 0.00000 147 3S 0.00015 0.00002 0.00000 0.00000 0.00000 148 4S 0.00039 0.00006 0.00000 0.00000 0.00000 149 5S 0.00081 -0.00002 0.00000 0.00000 0.00000 150 6S 0.00010 0.00008 0.00000 -0.00003 0.00000 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00007 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00000 -0.00003 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00001 0.00000 0.00000 157 9PX -0.00213 0.00003 0.00000 -0.00002 0.00000 158 9PY 0.00012 0.00068 0.00000 0.00000 0.00000 159 9PZ 0.00000 0.00000 -0.00026 0.00000 0.00000 160 10PX -0.00633 0.00013 0.00000 -0.00094 0.00011 161 10PY 0.00033 0.00232 0.00000 -0.00001 0.00000 162 10PZ 0.00000 0.00000 -0.00100 0.00000 0.00000 163 11XX -0.00010 -0.00003 0.00000 0.00000 0.00000 164 11YY -0.00037 -0.00002 0.00000 0.00000 0.00000 165 11ZZ -0.00006 -0.00002 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX -0.00053 -0.00006 0.00000 -0.00001 0.00000 170 12YY 0.00001 -0.00003 0.00000 0.00000 0.00000 171 12ZZ -0.00011 -0.00003 0.00000 0.00000 0.00000 172 12XY 0.00000 0.00005 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 -0.00001 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 17 18 19 20 16 5ZZ 0.01890 17 5XY 0.00000 0.03144 18 5XZ 0.00000 0.00000 0.03555 19 5YZ 0.00000 0.00000 0.00000 0.02507 20 2 Al 1S 0.00000 0.00001 0.00000 0.00000 2.12971 21 2S 0.00004 -0.00042 0.00000 0.00000 -0.13259 22 2PX 0.00006 -0.00128 0.00000 0.00000 0.00000 23 2PY 0.00002 -0.00002 0.00000 0.00000 0.00000 24 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 25 3S -0.00551 0.00594 0.00000 0.00000 -0.00024 26 3PX -0.00870 0.00821 0.00000 0.00000 0.00000 27 3PY -0.00221 0.00004 0.00000 0.00000 0.00000 28 3PZ 0.00000 0.00000 -0.00061 -0.00019 0.00000 29 4S 0.00051 0.00075 0.00000 0.00000 0.00042 30 4PX 0.00228 0.00003 0.00000 0.00000 0.00000 31 4PY 0.00051 0.00003 0.00000 0.00000 0.00000 32 4PZ 0.00000 0.00000 -0.00039 -0.00006 0.00000 33 5XX -0.00045 0.00484 0.00000 0.00000 0.00005 34 5YY 0.00042 -0.00019 0.00000 0.00000 0.00005 35 5ZZ 0.00016 -0.00089 0.00000 0.00000 0.00005 36 5XY -0.00088 0.00003 0.00000 0.00000 0.00000 37 5XZ 0.00000 0.00000 0.00155 0.00115 0.00000 38 5YZ 0.00000 0.00000 0.00115 -0.00004 0.00000 39 3 Cl 1S 0.00003 0.00002 0.00017 0.00004 0.00000 40 2S -0.00090 -0.00072 -0.00562 -0.00150 0.00000 41 2PX -0.00074 -0.00027 -0.00079 -0.00101 0.00000 42 2PY -0.00020 -0.00023 -0.00100 -0.00028 0.00000 43 2PZ 0.00028 -0.00089 -0.00182 -0.00048 0.00000 44 3S 0.00707 0.00195 0.02205 0.00589 0.00005 45 3PX 0.01047 0.00140 0.00371 0.01165 0.00018 46 3PY 0.00281 0.00677 0.01160 0.00822 0.00005 47 3PZ -0.00316 0.00906 0.01412 0.00375 0.00014 48 4S 0.01745 -0.00235 -0.00212 -0.00053 -0.00003 49 4PX 0.00288 -0.00041 0.00001 0.00158 0.00013 50 4PY 0.00083 0.00167 0.00157 0.00531 0.00003 51 4PZ -0.00054 -0.00076 -0.00076 -0.00020 0.00004 52 5XX 0.00131 -0.00052 0.00030 0.00040 0.00000 53 5YY 0.00070 -0.00014 -0.00005 -0.00005 0.00000 54 5ZZ -0.00134 0.00225 0.00136 0.00037 0.00001 55 5XY 0.00006 -0.00002 0.00013 -0.00004 0.00000 56 5XZ 0.00008 0.00017 0.00021 0.00036 0.00001 57 5YZ 0.00002 0.00061 0.00036 0.00014 0.00000 58 4 Cl 1S 0.00003 0.00002 0.00017 0.00004 0.00000 59 2S -0.00090 -0.00072 -0.00562 -0.00150 0.00000 60 2PX -0.00074 -0.00027 -0.00079 -0.00101 0.00000 61 2PY -0.00020 -0.00023 -0.00100 -0.00028 0.00000 62 2PZ 0.00028 -0.00089 -0.00182 -0.00048 0.00000 63 3S 0.00708 0.00195 0.02205 0.00589 0.00005 64 3PX 0.01048 0.00140 0.00371 0.01164 0.00018 65 3PY 0.00281 0.00677 0.01159 0.00823 0.00005 66 3PZ -0.00317 0.00905 0.01414 0.00376 0.00014 67 4S 0.01745 -0.00235 -0.00213 -0.00053 -0.00003 68 4PX 0.00288 -0.00041 0.00001 0.00158 0.00013 69 4PY 0.00083 0.00167 0.00157 0.00531 0.00003 70 4PZ -0.00054 -0.00076 -0.00075 -0.00020 0.00004 71 5XX 0.00132 -0.00052 0.00030 0.00040 0.00000 72 5YY 0.00070 -0.00014 -0.00005 -0.00005 0.00000 73 5ZZ -0.00134 0.00225 0.00136 0.00037 0.00001 74 5XY 0.00006 -0.00002 0.00013 -0.00004 0.00000 75 5XZ 0.00008 0.00017 0.00021 0.00036 0.00001 76 5YZ 0.00002 0.00061 0.00036 0.00014 0.00000 77 5 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2S 0.00000 -0.00002 0.00000 0.00000 0.00000 79 2PX 0.00000 -0.00009 0.00000 0.00000 0.00000 80 2PY 0.00000 -0.00002 0.00000 0.00000 0.00000 81 2PZ 0.00000 0.00000 0.00000 -0.00012 0.00000 82 3S -0.00029 0.00035 0.00000 0.00000 0.00000 83 3PX -0.00003 0.00537 0.00000 0.00000 0.00000 84 3PY -0.00147 0.00076 0.00000 0.00000 0.00000 85 3PZ 0.00000 0.00000 0.00020 0.00635 0.00000 86 4S -0.00070 0.00032 0.00000 0.00000 0.00000 87 4PX -0.00016 0.00708 0.00000 0.00000 0.00000 88 4PY -0.00513 0.00078 0.00000 0.00000 0.00000 89 4PZ 0.00000 0.00000 0.00028 0.00886 0.00000 90 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 91 5YY -0.00005 0.00000 0.00000 0.00000 0.00000 92 5ZZ 0.00002 0.00000 0.00000 0.00000 0.00000 93 5XY 0.00000 0.00015 0.00000 0.00000 0.00000 94 5XZ 0.00000 0.00000 0.00000 0.00001 0.00000 95 5YZ 0.00000 0.00000 0.00000 0.00022 0.00000 96 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 99 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 100 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 3S 0.00000 0.00000 0.00000 0.00000 0.00000 102 3PX 0.00000 -0.00001 0.00000 0.00000 0.00000 103 3PY 0.00000 -0.00002 0.00000 0.00000 0.00001 104 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4S -0.00001 0.00001 0.00000 0.00000 0.00000 106 4PX 0.00005 -0.00016 0.00000 0.00000 0.00000 107 4PY 0.00008 -0.00021 0.00000 0.00000 0.00013 108 4PZ 0.00000 0.00000 0.00004 -0.00007 0.00000 109 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 110 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 111 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 7 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00000 0.00001 0.00000 0.00000 0.00000 117 3S 0.00000 -0.00005 0.00000 0.00000 0.00000 118 4S 0.00000 -0.00021 0.00000 0.00000 0.00000 119 5S -0.00011 0.00156 0.00000 0.00000 0.00000 120 6S -0.00055 0.00102 0.00000 0.00000 0.00000 121 7PX 0.00000 0.00001 0.00000 0.00000 0.00000 122 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00000 -0.00062 0.00000 0.00000 0.00000 125 8PY 0.00000 -0.00002 0.00000 0.00000 0.00000 126 8PZ 0.00000 0.00000 -0.00010 -0.00002 0.00000 127 9PX -0.00057 0.01130 0.00000 0.00000 0.00000 128 9PY -0.00014 0.00027 0.00000 0.00000 0.00000 129 9PZ 0.00000 0.00000 0.00296 0.00058 0.00000 130 10PX -0.00434 0.01015 0.00000 0.00000 0.00000 131 10PY -0.00088 -0.00006 0.00000 0.00000 0.00000 132 10PZ 0.00000 0.00000 0.00752 0.00149 0.00000 133 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 11YY 0.00000 0.00004 0.00000 0.00000 0.00000 135 11ZZ 0.00000 0.00004 0.00000 0.00000 0.00000 136 11XY 0.00000 -0.00001 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 -0.00001 -0.00001 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX -0.00018 0.00137 0.00000 0.00000 0.00000 140 12YY -0.00001 -0.00002 0.00000 0.00000 0.00000 141 12ZZ 0.00003 0.00001 0.00000 0.00000 0.00000 142 12XY -0.00009 0.00007 0.00000 0.00000 0.00000 143 12XZ 0.00000 0.00000 0.00048 0.00012 0.00000 144 12YZ 0.00000 0.00000 0.00014 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3S 0.00000 0.00000 0.00000 0.00000 0.00000 148 4S 0.00000 0.00000 0.00000 0.00000 0.00000 149 5S 0.00000 0.00000 0.00000 0.00000 0.00000 150 6S 0.00000 -0.00001 0.00000 0.00000 0.00001 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 158 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX 0.00014 -0.00003 0.00000 0.00000 0.00010 161 10PY 0.00000 0.00000 0.00000 0.00000 0.00004 162 10PZ 0.00000 0.00000 -0.00003 0.00000 0.00000 163 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 164 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 165 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 21 22 23 24 25 21 2S 2.23905 22 2PX 0.00000 2.03263 23 2PY 0.00000 0.00000 2.01751 24 2PZ 0.00000 0.00000 0.00000 2.05250 25 3S -0.02476 0.00000 0.00000 0.00000 0.71719 26 3PX 0.00000 -0.01513 0.00000 0.00000 0.00000 27 3PY 0.00000 0.00000 -0.01152 0.00000 0.00000 28 3PZ 0.00000 0.00000 0.00000 -0.01701 0.00000 29 4S -0.00947 0.00000 0.00000 0.00000 0.02077 30 4PX 0.00000 -0.00066 0.00000 0.00000 0.00000 31 4PY 0.00000 0.00000 -0.00071 0.00000 0.00000 32 4PZ 0.00000 0.00000 0.00000 0.00001 0.00000 33 5XX -0.00472 0.00000 0.00000 0.00000 -0.02081 34 5YY -0.00511 0.00000 0.00000 0.00000 -0.04082 35 5ZZ -0.00594 0.00000 0.00000 0.00000 -0.03416 36 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 37 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 38 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 39 3 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00017 40 2S 0.00003 0.00004 0.00001 0.00008 -0.00681 41 2PX 0.00004 0.00002 0.00002 0.00007 -0.00235 42 2PY 0.00001 0.00002 0.00000 0.00002 -0.00063 43 2PZ 0.00002 0.00005 0.00001 0.00005 -0.00298 44 3S -0.00356 -0.00227 -0.00057 -0.00468 0.04160 45 3PX -0.01008 -0.00138 -0.00172 -0.00800 0.05439 46 3PY -0.00267 -0.00171 -0.00043 -0.00211 0.01442 47 3PZ -0.00655 -0.00536 -0.00141 -0.00454 0.05371 48 4S 0.00230 0.00157 0.00039 -0.00153 -0.06636 49 4PX -0.00405 0.00011 -0.00049 -0.00215 0.00939 50 4PY -0.00108 -0.00049 -0.00064 -0.00057 0.00264 51 4PZ -0.00141 0.00008 -0.00003 -0.00029 -0.00490 52 5XX 0.00007 0.00024 0.00008 0.00011 -0.00167 53 5YY 0.00005 0.00006 -0.00001 -0.00002 -0.00360 54 5ZZ -0.00045 -0.00067 -0.00016 -0.00005 0.01020 55 5XY -0.00002 0.00008 -0.00001 0.00010 0.00023 56 5XZ -0.00085 0.00024 -0.00005 0.00011 0.00243 57 5YZ -0.00023 -0.00005 -0.00002 0.00003 0.00065 58 4 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00017 59 2S 0.00003 0.00004 0.00001 0.00008 -0.00681 60 2PX 0.00004 0.00002 0.00002 0.00007 -0.00235 61 2PY 0.00001 0.00002 0.00000 0.00002 -0.00063 62 2PZ 0.00002 0.00005 0.00001 0.00005 -0.00298 63 3S -0.00356 -0.00228 -0.00057 -0.00468 0.04160 64 3PX -0.01008 -0.00139 -0.00173 -0.00800 0.05441 65 3PY -0.00267 -0.00171 -0.00043 -0.00211 0.01443 66 3PZ -0.00655 -0.00536 -0.00142 -0.00454 0.05370 67 4S 0.00230 0.00157 0.00039 -0.00153 -0.06637 68 4PX -0.00405 0.00011 -0.00049 -0.00215 0.00939 69 4PY -0.00108 -0.00049 -0.00063 -0.00057 0.00264 70 4PZ -0.00141 0.00008 -0.00003 -0.00029 -0.00490 71 5XX 0.00007 0.00024 0.00008 0.00011 -0.00167 72 5YY 0.00005 0.00006 -0.00001 -0.00002 -0.00360 73 5ZZ -0.00045 -0.00067 -0.00016 -0.00005 0.01019 74 5XY -0.00002 0.00008 -0.00001 0.00010 0.00023 75 5XZ -0.00085 0.00024 -0.00005 0.00011 0.00243 76 5YZ -0.00023 -0.00005 -0.00002 0.00003 0.00065 77 5 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2S 0.00000 0.00000 0.00000 0.00000 0.00000 79 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 80 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 81 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 3S 0.00000 0.00000 0.00000 0.00000 0.00003 83 3PX 0.00000 0.00000 0.00000 0.00000 -0.00014 84 3PY 0.00000 0.00000 0.00000 0.00000 0.00002 85 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 86 4S 0.00000 0.00000 0.00000 0.00000 0.00037 87 4PX -0.00001 0.00000 0.00001 0.00000 -0.00088 88 4PY -0.00002 -0.00001 0.00001 0.00000 0.00065 89 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 91 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 92 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 94 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2S 0.00000 0.00000 0.00000 0.00000 0.00003 98 2PX 0.00000 0.00000 0.00000 0.00000 0.00002 99 2PY 0.00000 0.00000 0.00000 0.00000 -0.00082 100 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 3S -0.00001 0.00000 -0.00012 0.00000 -0.00179 102 3PX -0.00001 -0.00002 -0.00004 0.00000 -0.00097 103 3PY -0.00070 -0.00007 -0.00148 0.00000 0.03191 104 3PZ 0.00000 0.00000 0.00000 -0.00003 0.00000 105 4S 0.00017 -0.00001 -0.00006 0.00000 -0.00890 106 4PX -0.00006 -0.00018 -0.00012 0.00000 -0.00174 107 4PY -0.00463 -0.00020 -0.00377 0.00000 0.03734 108 4PZ 0.00000 0.00000 0.00000 -0.00019 0.00000 109 5XX 0.00000 0.00000 0.00000 0.00000 -0.00042 110 5YY -0.00002 0.00000 -0.00004 0.00000 0.00251 111 5ZZ 0.00000 0.00000 0.00000 0.00000 -0.00040 112 5XY 0.00000 0.00000 0.00000 0.00000 0.00001 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 7 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00000 0.00000 0.00000 0.00000 0.00000 117 3S 0.00000 0.00000 0.00000 0.00000 0.00000 118 4S 0.00000 0.00000 0.00000 0.00000 0.00000 119 5S 0.00000 0.00000 0.00000 0.00000 0.00000 120 6S 0.00000 0.00000 0.00000 0.00000 0.00036 121 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 122 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX 0.00000 0.00000 0.00000 0.00000 -0.00009 128 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 129 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 10PX -0.00002 0.00000 0.00000 0.00000 -0.00059 131 10PY 0.00000 0.00000 0.00000 0.00000 0.00005 132 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00000 0.00000 0.00000 0.00000 -0.00009 140 12YY 0.00000 0.00000 0.00000 0.00000 -0.00001 141 12ZZ 0.00000 0.00000 0.00000 0.00000 -0.00001 142 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 0.00000 -0.00007 147 3S 0.00000 0.00000 0.00000 0.00000 0.00014 148 4S 0.00000 0.00000 0.00000 0.00000 0.00052 149 5S 0.00000 -0.00004 -0.00001 0.00000 -0.00029 150 6S 0.00019 0.00024 0.00004 0.00000 -0.01063 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00001 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00001 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 0.00000 -0.00067 155 8PY 0.00000 0.00000 0.00000 0.00000 -0.00045 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX -0.00021 -0.00041 -0.00011 0.00000 0.01231 158 9PY -0.00006 -0.00015 0.00000 0.00000 0.00825 159 9PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 160 10PX -0.00422 -0.00276 -0.00093 0.00000 0.02566 161 10PY -0.00126 -0.00124 0.00000 0.00000 0.01996 162 10PZ 0.00000 0.00000 0.00000 -0.00017 0.00000 163 11XX 0.00000 0.00000 0.00000 0.00000 -0.00039 164 11YY 0.00000 0.00000 0.00000 0.00000 -0.00012 165 11ZZ 0.00000 0.00000 0.00000 0.00000 -0.00003 166 11XY 0.00000 0.00000 0.00000 0.00000 -0.00006 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX -0.00019 -0.00030 -0.00009 0.00000 0.00357 170 12YY -0.00001 -0.00004 0.00000 0.00000 0.00070 171 12ZZ 0.00000 0.00000 0.00000 0.00000 -0.00033 172 12XY -0.00013 -0.00016 0.00000 0.00000 0.00212 173 12XZ 0.00000 0.00000 0.00000 -0.00001 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 26 27 28 29 30 26 3PX 0.34709 27 3PY 0.00000 0.32171 28 3PZ 0.00000 0.00000 0.27187 29 4S 0.00000 0.00000 0.00000 0.30095 30 4PX 0.01575 0.00000 0.00000 0.00000 0.12672 31 4PY 0.00000 0.00558 0.00000 0.00000 0.00000 32 4PZ 0.00000 0.00000 0.00283 0.00000 0.00000 33 5XX 0.00000 0.00000 0.00000 -0.01226 0.00000 34 5YY 0.00000 0.00000 0.00000 0.01077 0.00000 35 5ZZ 0.00000 0.00000 0.00000 0.00078 0.00000 36 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 37 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 38 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 39 3 Cl 1S 0.00013 0.00003 0.00027 -0.00006 -0.00002 40 2S -0.00497 -0.00126 -0.00972 0.00206 0.00077 41 2PX -0.00021 -0.00077 -0.00338 0.00016 -0.00010 42 2PY -0.00077 -0.00051 -0.00089 0.00002 0.00002 43 2PZ -0.00288 -0.00076 -0.00087 -0.00001 0.00005 44 3S 0.02459 0.00583 0.05605 -0.01119 -0.00378 45 3PX -0.00234 0.01466 0.06256 0.00405 -0.00103 46 3PY 0.01450 0.01708 0.01644 0.00162 0.00034 47 3PZ 0.04415 0.01157 0.00584 -0.00142 -0.00132 48 4S -0.04272 -0.01120 -0.01478 -0.00046 -0.00180 49 4PX -0.00424 0.00190 0.00600 -0.00413 0.00387 50 4PY 0.00192 0.00100 0.00158 -0.00049 -0.00054 51 4PZ -0.00957 -0.00204 -0.00748 0.00345 0.00166 52 5XX -0.00475 0.00019 0.00230 0.00063 0.00013 53 5YY -0.00198 -0.00123 -0.00028 0.00056 0.00088 54 5ZZ 0.01218 0.00302 0.00167 -0.00144 -0.00110 55 5XY 0.00000 0.00083 0.00041 -0.00001 0.00002 56 5XZ 0.00007 0.00095 0.00076 0.00010 -0.00005 57 5YZ 0.00096 0.00129 0.00020 0.00003 0.00001 58 4 Cl 1S 0.00013 0.00003 0.00027 -0.00006 -0.00002 59 2S -0.00497 -0.00126 -0.00972 0.00206 0.00077 60 2PX -0.00021 -0.00077 -0.00338 0.00016 -0.00010 61 2PY -0.00077 -0.00051 -0.00089 0.00002 0.00002 62 2PZ -0.00288 -0.00076 -0.00087 -0.00001 0.00005 63 3S 0.02459 0.00584 0.05604 -0.01119 -0.00378 64 3PX -0.00233 0.01467 0.06256 0.00405 -0.00103 65 3PY 0.01451 0.01707 0.01644 0.00162 0.00034 66 3PZ 0.04414 0.01158 0.00582 -0.00142 -0.00132 67 4S -0.04273 -0.01121 -0.01477 -0.00048 -0.00181 68 4PX -0.00424 0.00190 0.00600 -0.00413 0.00387 69 4PY 0.00192 0.00100 0.00158 -0.00049 -0.00054 70 4PZ -0.00957 -0.00204 -0.00749 0.00345 0.00166 71 5XX -0.00475 0.00020 0.00231 0.00063 0.00013 72 5YY -0.00198 -0.00123 -0.00028 0.00056 0.00088 73 5ZZ 0.01218 0.00302 0.00166 -0.00144 -0.00110 74 5XY 0.00000 0.00083 0.00041 -0.00001 0.00002 75 5XZ 0.00007 0.00095 0.00076 0.00010 -0.00005 76 5YZ 0.00096 0.00129 0.00020 0.00003 0.00001 77 5 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2S 0.00000 0.00000 0.00000 -0.00005 0.00004 79 2PX 0.00000 0.00000 0.00000 0.00004 0.00001 80 2PY 0.00000 0.00000 0.00000 -0.00002 -0.00001 81 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 3S 0.00005 0.00002 0.00000 0.00035 0.00001 83 3PX -0.00002 -0.00024 0.00000 -0.00339 -0.00085 84 3PY 0.00013 -0.00026 0.00000 0.00084 0.00037 85 3PZ 0.00000 0.00000 0.00003 0.00000 0.00000 86 4S 0.00042 0.00038 0.00000 -0.00111 -0.00094 87 4PX 0.00005 -0.00127 0.00000 -0.00753 -0.00111 88 4PY 0.00125 -0.00076 0.00000 0.00136 0.00030 89 4PZ 0.00000 0.00000 0.00030 0.00000 0.00000 90 5XX 0.00000 0.00000 0.00000 -0.00003 0.00000 91 5YY 0.00000 -0.00001 0.00000 0.00008 0.00004 92 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 93 5XY 0.00000 -0.00001 0.00000 -0.00005 -0.00001 94 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 6 Cl 1S 0.00000 0.00003 0.00000 -0.00004 0.00000 97 2S -0.00003 -0.00100 0.00000 0.00140 -0.00005 98 2PX -0.00010 -0.00010 0.00000 -0.00008 -0.00062 99 2PY -0.00014 -0.00295 0.00000 0.00006 0.00001 100 2PZ 0.00000 0.00000 -0.00015 0.00000 0.00000 101 3S 0.00013 0.00941 0.00000 -0.00637 0.00014 102 3PX 0.00435 0.00323 0.00000 0.00428 0.02847 103 3PY 0.00440 0.08764 0.00000 -0.00124 0.00004 104 3PZ 0.00000 0.00000 0.00614 0.00000 0.00000 105 4S -0.00025 -0.01607 0.00000 0.00201 -0.00054 106 4PX 0.00637 0.00248 0.00000 0.00672 0.04533 107 4PY 0.00349 0.05851 0.00000 -0.00215 0.00020 108 4PZ 0.00000 0.00000 0.00905 0.00000 0.00000 109 5XX -0.00003 -0.00070 0.00000 0.00024 -0.00006 110 5YY 0.00029 0.00488 0.00000 -0.00041 0.00006 111 5ZZ -0.00004 -0.00084 0.00000 -0.00010 0.00003 112 5XY 0.00019 0.00023 0.00000 0.00004 0.00028 113 5XZ 0.00000 0.00000 0.00001 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00022 0.00000 0.00000 115 7 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00000 0.00000 0.00000 0.00007 -0.00009 117 3S 0.00000 0.00000 0.00000 -0.00014 0.00015 118 4S 0.00000 0.00000 0.00000 -0.00042 0.00039 119 5S 0.00000 0.00000 0.00000 0.00079 0.00081 120 6S 0.00119 -0.00001 0.00000 -0.00231 0.00010 121 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 122 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00000 0.00000 0.00000 0.00008 0.00007 125 8PY 0.00000 0.00000 0.00000 -0.00001 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX -0.00028 -0.00001 0.00000 -0.00238 -0.00213 128 9PY 0.00000 0.00000 0.00000 0.00014 0.00012 129 9PZ 0.00000 0.00000 0.00001 0.00000 0.00000 130 10PX -0.00110 -0.00010 0.00000 -0.00960 -0.00633 131 10PY 0.00005 0.00003 0.00000 0.00050 0.00033 132 10PZ 0.00000 0.00000 0.00029 0.00000 0.00000 133 11XX 0.00000 0.00000 0.00000 0.00026 -0.00010 134 11YY 0.00000 0.00000 0.00000 0.00001 -0.00037 135 11ZZ 0.00000 0.00000 0.00000 0.00020 -0.00006 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX -0.00023 0.00000 0.00000 0.00052 -0.00053 140 12YY -0.00002 0.00000 0.00000 0.00066 0.00001 141 12ZZ -0.00004 0.00000 0.00000 0.00046 -0.00011 142 12XY 0.00000 0.00000 0.00000 0.00001 0.00000 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 -0.00004 -0.00010 146 2S 0.00014 0.00006 0.00000 0.00135 0.00312 147 3S -0.00040 -0.00016 0.00000 -0.00235 -0.00586 148 4S -0.00117 -0.00048 0.00000 -0.00644 -0.01604 149 5S 0.00760 0.00218 0.00000 -0.00421 0.00728 150 6S -0.02781 -0.00746 0.00000 -0.00032 -0.02582 151 7PX 0.00005 0.00001 0.00000 -0.00001 0.00000 152 7PY 0.00002 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX -0.00275 -0.00090 0.00000 -0.00075 0.00046 155 8PY -0.00111 0.00000 0.00000 0.00064 -0.00074 156 8PZ 0.00000 0.00000 -0.00018 0.00000 0.00000 157 9PX 0.04126 0.01449 0.00000 0.01673 -0.00637 158 9PY 0.01789 0.00000 0.00000 -0.01218 0.01326 159 9PZ 0.00000 0.00000 0.00352 0.00000 0.00000 160 10PX 0.04782 0.02125 0.00000 0.03987 -0.00812 161 10PY 0.02658 0.00024 0.00000 -0.03031 0.02525 162 10PZ 0.00000 0.00000 0.00898 0.00000 0.00000 163 11XX 0.00001 -0.00002 0.00000 0.00167 0.00674 164 11YY 0.00038 0.00022 0.00000 0.00379 0.00491 165 11ZZ 0.00061 0.00020 0.00000 0.00220 0.00611 166 11XY -0.00011 0.00000 0.00000 -0.00001 0.00000 167 11XZ 0.00000 0.00000 -0.00002 0.00000 0.00000 168 11YZ 0.00000 0.00000 -0.00001 0.00000 0.00000 169 12XX 0.00824 0.00367 0.00000 0.00578 0.00652 170 12YY 0.00372 0.00024 0.00000 0.00050 0.01210 171 12ZZ 0.00177 0.00061 0.00000 0.00208 0.00926 172 12XY 0.00203 0.00000 0.00000 -0.00038 0.00017 173 12XZ 0.00000 0.00000 0.00028 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00001 0.00000 0.00000 31 32 33 34 35 31 4PY 0.05318 32 4PZ 0.00000 0.03634 33 5XX 0.00000 0.00000 0.03284 34 5YY 0.00000 0.00000 -0.00478 0.04248 35 5ZZ 0.00000 0.00000 -0.00245 -0.00186 0.01890 36 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 37 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 38 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 39 3 Cl 1S -0.00001 -0.00005 -0.00002 -0.00001 0.00003 40 2S 0.00030 0.00149 0.00077 0.00055 -0.00090 41 2PX 0.00002 0.00008 0.00004 0.00012 -0.00074 42 2PY 0.00002 0.00002 -0.00031 -0.00045 -0.00020 43 2PZ 0.00001 -0.00006 -0.00084 0.00013 0.00028 44 3S -0.00159 -0.00951 -0.00727 -0.00652 0.00708 45 3PX 0.00019 -0.00138 -0.00003 -0.00369 0.01049 46 3PY -0.00034 -0.00029 0.00537 0.00607 0.00281 47 3PZ -0.00041 0.00320 0.01367 -0.00259 -0.00317 48 4S -0.00015 -0.00280 -0.01300 0.00100 0.01745 49 4PX -0.00064 -0.00115 -0.00145 -0.00078 0.00288 50 4PY -0.00007 -0.00032 0.00244 -0.00060 0.00083 51 4PZ 0.00069 -0.00021 0.00070 0.00445 -0.00054 52 5XX 0.00024 0.00012 -0.00044 0.00012 0.00132 53 5YY 0.00011 0.00005 -0.00070 0.00037 0.00070 54 5ZZ -0.00036 -0.00072 0.00216 -0.00075 -0.00134 55 5XY 0.00004 0.00000 0.00000 0.00002 0.00006 56 5XZ 0.00001 0.00003 0.00004 -0.00017 0.00008 57 5YZ -0.00001 0.00001 0.00046 0.00062 0.00002 58 4 Cl 1S -0.00001 -0.00005 -0.00002 -0.00001 0.00003 59 2S 0.00030 0.00149 0.00077 0.00055 -0.00090 60 2PX 0.00002 0.00008 0.00004 0.00012 -0.00074 61 2PY 0.00002 0.00002 -0.00031 -0.00045 -0.00020 62 2PZ 0.00001 -0.00006 -0.00084 0.00013 0.00028 63 3S -0.00159 -0.00950 -0.00727 -0.00652 0.00707 64 3PX 0.00019 -0.00138 -0.00003 -0.00369 0.01048 65 3PY -0.00035 -0.00029 0.00537 0.00608 0.00281 66 3PZ -0.00041 0.00320 0.01368 -0.00258 -0.00316 67 4S -0.00015 -0.00280 -0.01301 0.00100 0.01745 68 4PX -0.00064 -0.00115 -0.00145 -0.00078 0.00288 69 4PY -0.00007 -0.00032 0.00244 -0.00060 0.00083 70 4PZ 0.00069 -0.00021 0.00071 0.00445 -0.00054 71 5XX 0.00024 0.00012 -0.00044 0.00012 0.00132 72 5YY 0.00011 0.00005 -0.00070 0.00037 0.00070 73 5ZZ -0.00036 -0.00072 0.00216 -0.00075 -0.00134 74 5XY 0.00004 0.00000 0.00000 0.00002 0.00006 75 5XZ 0.00001 0.00003 0.00004 -0.00017 0.00008 76 5YZ -0.00001 0.00001 0.00046 0.00062 0.00002 77 5 Cl 1S 0.00001 0.00000 0.00000 0.00000 0.00000 78 2S -0.00020 0.00000 0.00000 0.00000 0.00000 79 2PX 0.00002 0.00000 0.00000 0.00000 0.00000 80 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 81 2PZ 0.00000 0.00001 0.00000 0.00000 0.00000 82 3S 0.00081 0.00000 0.00000 0.00000 0.00000 83 3PX -0.00133 0.00000 0.00000 0.00000 0.00000 84 3PY 0.00009 0.00000 0.00000 -0.00002 0.00000 85 3PZ 0.00000 -0.00028 0.00000 0.00000 0.00000 86 4S -0.00006 0.00000 0.00006 -0.00012 -0.00001 87 4PX -0.00238 0.00000 0.00012 -0.00020 0.00005 88 4PY -0.00019 0.00000 0.00015 -0.00052 0.00008 89 4PZ 0.00000 -0.00070 0.00000 0.00000 0.00000 90 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 91 5YY 0.00003 0.00000 0.00000 0.00000 0.00000 92 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 5XY -0.00001 0.00000 0.00000 0.00000 0.00000 94 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 6 Cl 1S -0.00008 0.00000 0.00000 0.00001 0.00000 97 2S 0.00216 0.00000 0.00001 -0.00051 0.00000 98 2PX 0.00001 0.00000 0.00000 -0.00005 0.00000 99 2PY 0.00008 0.00000 0.00002 -0.00088 0.00000 100 2PZ 0.00000 -0.00033 0.00000 0.00000 0.00000 101 3S -0.00562 0.00000 -0.00039 0.00700 -0.00029 102 3PX -0.00075 0.00000 0.00008 0.00199 -0.00003 103 3PY -0.00234 0.00000 -0.00266 0.02656 -0.00147 104 3PZ 0.00000 0.01322 0.00000 0.00000 0.00000 105 4S -0.01154 0.00000 -0.00059 0.00486 -0.00070 106 4PX -0.00070 0.00000 -0.00002 0.00195 -0.00016 107 4PY -0.00206 0.00000 -0.00771 0.02042 -0.00513 108 4PZ 0.00000 0.02193 0.00000 0.00000 0.00000 109 5XX 0.00017 0.00000 0.00002 -0.00016 0.00000 110 5YY -0.00013 0.00000 -0.00008 0.00100 -0.00005 111 5ZZ 0.00015 0.00000 0.00001 -0.00018 0.00002 112 5XY -0.00001 0.00000 0.00002 0.00011 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00013 0.00000 0.00000 0.00000 115 7 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S -0.00001 0.00000 0.00000 0.00000 0.00000 117 3S 0.00002 0.00000 0.00000 0.00000 0.00000 118 4S 0.00006 0.00000 0.00000 0.00000 0.00000 119 5S -0.00002 0.00000 0.00000 0.00000 0.00000 120 6S 0.00008 0.00000 -0.00003 0.00000 0.00000 121 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 122 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 8PY -0.00003 0.00000 0.00000 0.00000 0.00000 126 8PZ 0.00000 0.00001 0.00000 0.00000 0.00000 127 9PX 0.00003 0.00000 -0.00002 0.00000 0.00000 128 9PY 0.00068 0.00000 0.00000 0.00000 0.00000 129 9PZ 0.00000 -0.00026 0.00000 0.00000 0.00000 130 10PX 0.00013 0.00000 -0.00094 0.00011 0.00014 131 10PY 0.00232 0.00000 -0.00001 0.00000 0.00000 132 10PZ 0.00000 -0.00100 0.00000 0.00000 0.00000 133 11XX -0.00002 0.00000 0.00000 0.00000 0.00000 134 11YY -0.00002 0.00000 0.00000 0.00000 0.00000 135 11ZZ -0.00002 0.00000 0.00000 0.00000 0.00000 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX -0.00006 0.00000 -0.00001 0.00000 0.00000 140 12YY -0.00002 0.00000 0.00000 0.00000 0.00000 141 12ZZ -0.00003 0.00000 0.00000 0.00000 0.00000 142 12XY 0.00005 0.00000 0.00000 0.00000 0.00000 143 12XZ 0.00000 -0.00001 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S -0.00004 0.00000 0.00000 0.00000 0.00000 146 2S 0.00128 0.00000 0.00002 0.00000 0.00000 147 3S -0.00234 0.00000 -0.00007 0.00001 0.00000 148 4S -0.00642 0.00000 -0.00032 0.00003 0.00000 149 5S 0.00036 0.00000 0.00174 -0.00018 -0.00011 150 6S -0.00482 0.00000 0.00305 -0.00013 -0.00056 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00001 0.00000 0.00000 0.00000 154 8PX -0.00044 0.00000 -0.00015 -0.00006 0.00000 155 8PY -0.00047 0.00000 -0.00023 0.00002 0.00000 156 8PZ 0.00000 -0.00075 0.00000 0.00000 0.00000 157 9PX 0.00816 0.00000 0.00271 0.00156 -0.00057 158 9PY 0.00905 0.00000 0.00500 -0.00030 -0.00014 159 9PZ 0.00000 0.01283 0.00000 0.00000 0.00000 160 10PX 0.01514 0.00000 0.00536 0.00423 -0.00434 161 10PY 0.02706 0.00000 0.00920 -0.00223 -0.00088 162 10PZ 0.00000 0.03339 0.00000 0.00000 0.00000 163 11XX 0.00209 0.00000 0.00012 -0.00002 0.00000 164 11YY 0.00279 0.00000 0.00007 0.00000 0.00000 165 11ZZ 0.00229 0.00000 0.00006 -0.00001 0.00000 166 11XY -0.00001 0.00000 -0.00001 0.00000 0.00000 167 11XZ 0.00000 -0.00002 0.00000 0.00000 0.00000 168 11YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 169 12XX 0.00492 0.00000 0.00046 0.00005 -0.00018 170 12YY 0.00149 0.00000 0.00023 -0.00005 -0.00001 171 12ZZ 0.00265 0.00000 0.00005 -0.00004 0.00003 172 12XY 0.00028 0.00000 0.00041 -0.00004 -0.00009 173 12XZ 0.00000 0.00056 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00014 0.00000 0.00000 0.00000 36 37 38 39 40 36 5XY 0.03144 37 5XZ 0.00000 0.03555 38 5YZ 0.00000 0.00000 0.02507 39 3 Cl 1S 0.00002 0.00017 0.00004 2.16066 40 2S -0.00072 -0.00562 -0.00150 -0.16532 2.39686 41 2PX -0.00027 -0.00079 -0.00101 0.00000 0.00000 42 2PY -0.00023 -0.00100 -0.00028 0.00000 0.00000 43 2PZ -0.00089 -0.00182 -0.00048 0.00000 0.00000 44 3S 0.00195 0.02206 0.00588 0.00045 -0.14102 45 3PX 0.00140 0.00371 0.01164 0.00000 0.00000 46 3PY 0.00678 0.01158 0.00824 0.00000 0.00000 47 3PZ 0.00904 0.01414 0.00375 0.00000 0.00000 48 4S -0.00234 -0.00213 -0.00053 0.00126 -0.03367 49 4PX -0.00041 0.00001 0.00157 0.00000 0.00000 50 4PY 0.00167 0.00157 0.00532 0.00000 0.00000 51 4PZ -0.00076 -0.00076 -0.00020 0.00000 0.00000 52 5XX -0.00052 0.00030 0.00040 0.00007 -0.00712 53 5YY -0.00014 -0.00005 -0.00005 0.00006 -0.00489 54 5ZZ 0.00224 0.00137 0.00037 0.00007 -0.00693 55 5XY -0.00002 0.00013 -0.00004 0.00000 0.00000 56 5XZ 0.00017 0.00022 0.00036 0.00000 0.00000 57 5YZ 0.00061 0.00036 0.00014 0.00000 0.00000 58 4 Cl 1S 0.00002 0.00017 0.00004 0.00000 0.00000 59 2S -0.00072 -0.00562 -0.00150 0.00000 0.00000 60 2PX -0.00027 -0.00079 -0.00101 0.00000 0.00000 61 2PY -0.00023 -0.00100 -0.00028 0.00000 0.00000 62 2PZ -0.00089 -0.00182 -0.00048 0.00000 0.00000 63 3S 0.00195 0.02205 0.00588 0.00000 0.00003 64 3PX 0.00141 0.00372 0.01164 0.00000 0.00000 65 3PY 0.00678 0.01159 0.00823 0.00000 0.00000 66 3PZ 0.00905 0.01413 0.00375 0.00000 0.00021 67 4S -0.00235 -0.00212 -0.00053 0.00002 -0.00082 68 4PX -0.00041 0.00001 0.00158 0.00000 0.00000 69 4PY 0.00167 0.00157 0.00531 0.00000 0.00000 70 4PZ -0.00076 -0.00076 -0.00020 -0.00003 0.00118 71 5XX -0.00052 0.00030 0.00040 0.00000 0.00000 72 5YY -0.00014 -0.00005 -0.00005 0.00000 0.00000 73 5ZZ 0.00225 0.00136 0.00037 0.00000 0.00000 74 5XY -0.00002 0.00013 -0.00004 0.00000 0.00000 75 5XZ 0.00017 0.00022 0.00036 0.00000 0.00000 76 5YZ 0.00061 0.00036 0.00014 0.00000 0.00000 77 5 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2S 0.00000 0.00000 0.00000 0.00000 0.00000 79 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 80 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 81 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 3S 0.00000 0.00000 0.00000 0.00000 0.00000 83 3PX -0.00001 0.00000 0.00000 0.00000 0.00000 84 3PY -0.00002 0.00000 0.00000 0.00000 0.00000 85 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 86 4S 0.00001 0.00000 0.00000 0.00000 -0.00001 87 4PX -0.00016 0.00000 0.00000 0.00000 0.00002 88 4PY -0.00021 0.00000 0.00000 0.00000 0.00004 89 4PZ 0.00000 0.00004 -0.00007 0.00000 0.00003 90 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 91 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 92 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 94 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2S -0.00002 0.00000 0.00000 0.00000 0.00000 98 2PX -0.00009 0.00000 0.00000 0.00000 0.00000 99 2PY -0.00002 0.00000 0.00000 0.00000 0.00000 100 2PZ 0.00000 0.00000 -0.00012 0.00000 0.00000 101 3S 0.00035 0.00000 0.00000 0.00000 0.00000 102 3PX 0.00537 0.00000 0.00000 0.00000 0.00000 103 3PY 0.00076 0.00000 0.00000 0.00000 0.00000 104 3PZ 0.00000 0.00020 0.00635 0.00000 0.00000 105 4S 0.00032 0.00000 0.00000 0.00000 -0.00001 106 4PX 0.00708 0.00000 0.00000 0.00000 0.00002 107 4PY 0.00078 0.00000 0.00000 0.00000 0.00004 108 4PZ 0.00000 0.00028 0.00886 0.00000 0.00003 109 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 110 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 111 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 5XY 0.00015 0.00000 0.00000 0.00000 0.00000 113 5XZ 0.00000 0.00000 0.00001 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00022 0.00000 0.00000 115 7 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00000 0.00000 0.00000 0.00000 0.00000 117 3S 0.00000 0.00000 0.00000 0.00000 0.00000 118 4S 0.00000 0.00000 0.00000 0.00000 0.00000 119 5S 0.00000 0.00000 0.00000 0.00000 0.00000 120 6S -0.00001 0.00000 0.00000 0.00000 -0.00001 121 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 122 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 128 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 129 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 10PX -0.00003 0.00000 0.00000 0.00000 0.00006 131 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 132 10PZ 0.00000 -0.00003 0.00000 0.00000 0.00002 133 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 140 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 141 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00001 0.00000 0.00000 0.00000 0.00000 147 3S -0.00005 0.00000 0.00000 0.00000 0.00000 148 4S -0.00021 0.00000 0.00000 0.00000 0.00000 149 5S 0.00156 0.00000 0.00000 0.00000 0.00000 150 6S 0.00102 0.00000 0.00000 0.00000 -0.00001 151 7PX 0.00001 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX -0.00062 0.00000 0.00000 0.00000 0.00000 155 8PY -0.00002 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 -0.00010 -0.00002 0.00000 0.00000 157 9PX 0.01130 0.00000 0.00000 0.00000 0.00000 158 9PY 0.00027 0.00000 0.00000 0.00000 0.00000 159 9PZ 0.00000 0.00296 0.00058 0.00000 0.00000 160 10PX 0.01015 0.00000 0.00000 0.00000 0.00006 161 10PY -0.00006 0.00000 0.00000 0.00000 0.00000 162 10PZ 0.00000 0.00752 0.00149 0.00000 0.00002 163 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 164 11YY 0.00004 0.00000 0.00000 0.00000 0.00000 165 11ZZ 0.00004 0.00000 0.00000 0.00000 0.00000 166 11XY -0.00001 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 -0.00001 -0.00001 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00137 0.00000 0.00000 0.00000 0.00000 170 12YY -0.00002 0.00000 0.00000 0.00000 0.00000 171 12ZZ 0.00001 0.00000 0.00000 0.00000 0.00000 172 12XY 0.00007 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00048 0.00012 0.00000 0.00000 174 12YZ 0.00000 0.00014 0.00000 0.00000 0.00000 41 42 43 44 45 41 2PX 2.13265 42 2PY 0.00000 2.12913 43 2PZ 0.00000 0.00000 2.14552 44 3S 0.00000 0.00000 0.00000 1.15412 45 3PX -0.11881 0.00000 0.00000 0.00000 1.10693 46 3PY 0.00000 -0.11901 0.00000 0.00000 0.00000 47 3PZ 0.00000 0.00000 -0.13012 0.00000 0.00000 48 4S 0.00000 0.00000 0.00000 0.17075 0.00000 49 4PX -0.00613 0.00000 0.00000 0.00000 0.10250 50 4PY 0.00000 -0.00958 0.00000 0.00000 0.00000 51 4PZ 0.00000 0.00000 -0.00703 0.00000 0.00000 52 5XX 0.00000 0.00000 0.00000 0.01578 0.00000 53 5YY 0.00000 0.00000 0.00000 -0.00682 0.00000 54 5ZZ 0.00000 0.00000 0.00000 0.00875 0.00000 55 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 56 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 57 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 59 2S 0.00000 0.00000 0.00000 0.00003 0.00000 60 2PX 0.00000 0.00000 0.00000 0.00000 0.00001 61 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 62 2PZ 0.00000 0.00000 0.00000 0.00007 0.00000 63 3S 0.00000 0.00000 0.00007 -0.00123 0.00000 64 3PX 0.00001 0.00000 0.00000 0.00000 -0.00087 65 3PY 0.00000 0.00002 0.00000 0.00000 0.00000 66 3PZ 0.00000 0.00000 0.00041 -0.00974 0.00000 67 4S 0.00000 0.00000 0.00081 0.00992 0.00000 68 4PX 0.00000 0.00000 0.00000 0.00000 -0.00194 69 4PY 0.00000 0.00029 0.00000 0.00000 0.00000 70 4PZ 0.00000 0.00000 0.00268 -0.00964 0.00000 71 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 72 5YY 0.00000 0.00000 0.00000 0.00001 0.00000 73 5ZZ 0.00000 0.00000 -0.00001 -0.00026 0.00000 74 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 75 5XZ 0.00000 0.00000 0.00000 0.00000 0.00025 76 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 5 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2S 0.00000 0.00000 0.00000 0.00000 0.00000 79 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 80 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 81 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 3S 0.00000 0.00000 0.00000 0.00000 -0.00001 83 3PX 0.00000 0.00000 0.00000 -0.00002 0.00000 84 3PY 0.00000 0.00000 0.00000 -0.00006 -0.00006 85 3PZ 0.00000 0.00000 0.00000 -0.00002 -0.00001 86 4S 0.00000 0.00001 0.00000 0.00013 -0.00004 87 4PX 0.00000 0.00003 0.00000 -0.00035 0.00000 88 4PY 0.00001 0.00007 -0.00001 -0.00089 -0.00061 89 4PZ 0.00001 0.00003 0.00000 -0.00051 -0.00025 90 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 91 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 92 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 94 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 99 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 100 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 3S 0.00000 0.00000 0.00000 0.00000 -0.00001 102 3PX 0.00000 0.00000 0.00000 -0.00002 0.00000 103 3PY 0.00000 0.00000 0.00000 -0.00006 -0.00006 104 3PZ 0.00000 0.00000 0.00000 -0.00002 -0.00001 105 4S 0.00000 0.00001 0.00000 0.00013 -0.00004 106 4PX 0.00000 0.00003 0.00000 -0.00035 0.00000 107 4PY 0.00001 0.00007 -0.00001 -0.00089 -0.00061 108 4PZ 0.00001 0.00003 0.00000 -0.00051 -0.00025 109 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 110 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 111 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 7 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00000 0.00000 0.00000 0.00000 0.00000 117 3S 0.00000 0.00000 0.00000 0.00000 0.00000 118 4S 0.00000 0.00000 0.00000 0.00000 0.00000 119 5S 0.00000 0.00000 0.00000 0.00000 -0.00001 120 6S 0.00001 0.00000 0.00000 0.00020 -0.00070 121 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 122 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX 0.00000 0.00000 0.00000 -0.00003 -0.00015 128 9PY 0.00000 0.00000 0.00000 0.00000 -0.00001 129 9PZ 0.00000 0.00000 0.00000 -0.00001 -0.00003 130 10PX 0.00008 0.00001 0.00000 -0.00140 -0.00469 131 10PY 0.00000 0.00000 0.00000 -0.00001 -0.00013 132 10PZ 0.00002 0.00000 0.00000 -0.00048 -0.00131 133 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00000 0.00000 0.00000 -0.00003 0.00000 140 12YY 0.00000 0.00000 0.00000 0.00000 0.00001 141 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 142 12XY 0.00000 0.00000 0.00000 0.00000 0.00001 143 12XZ 0.00000 0.00000 0.00000 -0.00001 -0.00001 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3S 0.00000 0.00000 0.00000 0.00000 0.00000 148 4S 0.00000 0.00000 0.00000 0.00000 0.00000 149 5S 0.00000 0.00000 0.00000 0.00000 -0.00001 150 6S 0.00001 0.00000 0.00000 0.00020 -0.00070 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00000 0.00000 0.00000 -0.00003 -0.00015 158 9PY 0.00000 0.00000 0.00000 0.00000 -0.00001 159 9PZ 0.00000 0.00000 0.00000 -0.00001 -0.00003 160 10PX 0.00008 0.00001 0.00000 -0.00140 -0.00469 161 10PY 0.00000 0.00000 0.00000 -0.00001 -0.00013 162 10PZ 0.00002 0.00000 0.00000 -0.00048 -0.00131 163 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 164 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 165 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 0.00000 -0.00003 0.00000 170 12YY 0.00000 0.00000 0.00000 0.00000 0.00001 171 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 172 12XY 0.00000 0.00000 0.00000 0.00000 0.00001 173 12XZ 0.00000 0.00000 0.00000 -0.00001 -0.00001 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 47 48 49 50 46 3PY 1.10650 47 3PZ 0.00000 1.20763 48 4S 0.00000 0.00000 0.27436 49 4PX 0.00000 0.00000 0.00000 0.04100 50 4PY 0.18010 0.00000 0.00000 0.00000 0.09788 51 4PZ 0.00000 0.16308 0.00000 0.00000 0.00000 52 5XX 0.00000 0.00000 0.01294 0.00000 0.00000 53 5YY 0.00000 0.00000 0.00843 0.00000 0.00000 54 5ZZ 0.00000 0.00000 -0.02666 0.00000 0.00000 55 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 56 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 57 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4 Cl 1S 0.00000 0.00000 0.00002 0.00000 0.00000 59 2S 0.00000 0.00021 -0.00082 0.00000 0.00000 60 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 61 2PY 0.00002 0.00000 0.00000 0.00000 0.00029 62 2PZ 0.00000 0.00041 0.00081 0.00000 0.00000 63 3S 0.00000 -0.00974 0.00992 0.00000 0.00000 64 3PX 0.00000 0.00000 0.00000 -0.00194 0.00000 65 3PY -0.00243 0.00000 0.00000 0.00000 -0.01183 66 3PZ 0.00000 -0.03704 -0.01516 0.00000 0.00000 67 4S 0.00000 -0.01516 0.04259 0.00000 0.00000 68 4PX 0.00000 0.00000 0.00000 -0.00308 0.00000 69 4PY -0.01183 0.00000 0.00000 0.00000 -0.01678 70 4PZ 0.00000 -0.06252 0.02521 0.00000 0.00000 71 5XX 0.00000 -0.00071 0.00192 0.00000 0.00000 72 5YY 0.00000 -0.00039 0.00105 0.00000 0.00000 73 5ZZ 0.00000 0.00293 -0.00473 0.00000 0.00000 74 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 75 5XZ 0.00000 0.00000 0.00000 0.00005 0.00000 76 5YZ 0.00032 0.00000 0.00000 0.00000 -0.00022 77 5 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2S 0.00000 0.00000 0.00001 -0.00001 0.00001 79 2PX 0.00000 0.00000 0.00000 0.00000 0.00003 80 2PY 0.00000 0.00000 0.00000 0.00000 0.00005 81 2PZ 0.00000 0.00000 0.00001 0.00000 0.00001 82 3S -0.00004 0.00000 -0.00011 0.00011 -0.00037 83 3PX -0.00008 -0.00001 -0.00040 -0.00001 -0.00144 84 3PY -0.00022 0.00001 0.00034 -0.00015 -0.00228 85 3PZ -0.00008 0.00000 -0.00046 -0.00026 -0.00043 86 4S -0.00087 0.00012 -0.00109 0.00002 -0.00049 87 4PX -0.00145 -0.00003 -0.00135 0.00002 -0.00338 88 4PY -0.00313 0.00036 -0.00015 -0.00026 -0.00421 89 4PZ -0.00133 0.00000 -0.00150 -0.00056 -0.00129 90 5XX 0.00000 0.00000 0.00000 0.00000 0.00001 91 5YY 0.00000 0.00000 0.00002 0.00000 -0.00006 92 5ZZ 0.00000 0.00000 0.00001 0.00000 0.00002 93 5XY 0.00000 0.00000 -0.00001 0.00000 -0.00002 94 5XZ 0.00000 0.00000 0.00000 0.00000 0.00001 95 5YZ 0.00000 0.00000 -0.00001 -0.00001 0.00002 96 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2S 0.00000 0.00000 0.00001 -0.00001 0.00001 98 2PX 0.00000 0.00000 0.00000 0.00000 0.00003 99 2PY 0.00000 0.00000 0.00000 0.00000 0.00005 100 2PZ 0.00000 0.00000 0.00001 0.00000 0.00001 101 3S -0.00004 0.00000 -0.00011 0.00011 -0.00037 102 3PX -0.00008 -0.00001 -0.00040 -0.00001 -0.00144 103 3PY -0.00022 0.00001 0.00034 -0.00015 -0.00229 104 3PZ -0.00008 0.00000 -0.00046 -0.00026 -0.00043 105 4S -0.00087 0.00012 -0.00109 0.00002 -0.00049 106 4PX -0.00145 -0.00003 -0.00135 0.00002 -0.00338 107 4PY -0.00314 0.00036 -0.00015 -0.00026 -0.00421 108 4PZ -0.00133 0.00000 -0.00150 -0.00056 -0.00129 109 5XX 0.00000 0.00000 0.00000 0.00000 0.00001 110 5YY 0.00000 0.00000 0.00002 0.00000 -0.00006 111 5ZZ 0.00000 0.00000 0.00001 0.00000 0.00002 112 5XY 0.00000 0.00000 -0.00001 0.00000 -0.00002 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00001 114 5YZ 0.00000 0.00000 -0.00001 -0.00001 0.00002 115 7 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00000 0.00000 0.00000 -0.00003 0.00000 117 3S 0.00000 0.00000 0.00000 0.00006 0.00001 118 4S 0.00000 0.00000 0.00002 0.00020 0.00002 119 5S 0.00000 0.00000 0.00000 -0.00012 -0.00006 120 6S -0.00007 0.00014 -0.00158 0.00002 0.00005 121 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 122 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00000 0.00000 0.00000 0.00011 0.00001 125 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 8PZ 0.00000 0.00000 0.00001 0.00002 0.00000 127 9PX -0.00001 0.00000 -0.00015 -0.00264 -0.00029 128 9PY 0.00000 0.00000 0.00013 0.00014 -0.00002 129 9PZ 0.00000 0.00000 -0.00029 -0.00042 0.00004 130 10PX -0.00042 0.00027 -0.00212 -0.00865 -0.00106 131 10PY -0.00009 0.00005 0.00061 0.00065 -0.00021 132 10PZ -0.00007 0.00000 -0.00162 -0.00176 0.00010 133 11XX 0.00000 0.00000 0.00000 -0.00009 -0.00001 134 11YY 0.00000 0.00000 -0.00001 -0.00008 0.00000 135 11ZZ 0.00000 0.00000 0.00000 -0.00007 -0.00001 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00000 -0.00001 0.00003 -0.00073 -0.00012 140 12YY 0.00000 0.00000 0.00007 -0.00010 0.00000 141 12ZZ 0.00000 0.00000 0.00008 -0.00014 -0.00002 142 12XY 0.00000 0.00001 0.00000 0.00000 0.00000 143 12XZ 0.00000 0.00000 -0.00004 -0.00002 0.00002 144 12YZ 0.00000 0.00000 0.00000 -0.00001 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 -0.00003 0.00000 147 3S 0.00000 0.00000 0.00000 0.00006 0.00001 148 4S 0.00000 0.00000 0.00002 0.00020 0.00002 149 5S 0.00000 0.00000 0.00000 -0.00012 -0.00006 150 6S -0.00007 0.00014 -0.00158 0.00002 0.00005 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 0.00011 0.00001 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00001 0.00002 0.00000 157 9PX -0.00001 0.00000 -0.00015 -0.00264 -0.00029 158 9PY 0.00000 0.00000 0.00013 0.00014 -0.00002 159 9PZ 0.00000 0.00000 -0.00029 -0.00042 0.00004 160 10PX -0.00042 0.00027 -0.00212 -0.00865 -0.00106 161 10PY -0.00009 0.00005 0.00061 0.00065 -0.00021 162 10PZ -0.00007 0.00000 -0.00162 -0.00177 0.00010 163 11XX 0.00000 0.00000 0.00000 -0.00009 -0.00001 164 11YY 0.00000 0.00000 -0.00001 -0.00008 0.00000 165 11ZZ 0.00000 0.00000 0.00000 -0.00007 -0.00001 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 -0.00001 0.00003 -0.00073 -0.00012 170 12YY 0.00000 0.00000 0.00007 -0.00010 0.00000 171 12ZZ 0.00000 0.00000 0.00008 -0.00014 -0.00002 172 12XY 0.00000 0.00001 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 -0.00004 -0.00002 0.00002 174 12YZ 0.00000 0.00000 0.00000 -0.00001 0.00000 51 52 53 54 55 51 4PZ 0.11763 52 5XX 0.00000 0.00586 53 5YY 0.00000 0.00040 0.00364 54 5ZZ 0.00000 -0.00138 -0.00115 0.01340 55 5XY 0.00000 0.00000 0.00000 0.00000 0.00213 56 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 57 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4 Cl 1S -0.00003 0.00000 0.00000 0.00000 0.00000 59 2S 0.00118 0.00000 0.00000 0.00000 0.00000 60 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 61 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 62 2PZ 0.00268 0.00000 0.00000 -0.00001 0.00000 63 3S -0.00964 0.00000 0.00001 -0.00026 0.00000 64 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 65 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 66 3PZ -0.06252 -0.00071 -0.00039 0.00293 0.00000 67 4S 0.02521 0.00192 0.00105 -0.00473 0.00000 68 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 69 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 70 4PZ -0.03137 -0.00026 0.00042 -0.00361 0.00000 71 5XX -0.00026 0.00001 0.00000 -0.00004 0.00000 72 5YY 0.00042 0.00000 0.00000 -0.00003 0.00000 73 5ZZ -0.00361 -0.00004 -0.00003 0.00072 0.00000 74 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 75 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 5 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2S 0.00001 0.00000 0.00000 0.00000 0.00000 79 2PX -0.00001 0.00000 0.00000 0.00000 0.00000 80 2PY -0.00001 0.00000 0.00000 0.00000 0.00000 81 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 3S -0.00012 0.00000 0.00000 0.00000 0.00000 83 3PX 0.00033 0.00000 0.00001 0.00000 0.00000 84 3PY 0.00083 0.00000 0.00002 0.00000 0.00001 85 3PZ -0.00003 0.00000 0.00000 0.00000 0.00000 86 4S -0.00034 0.00000 -0.00005 0.00004 -0.00003 87 4PX 0.00066 -0.00003 0.00018 -0.00004 0.00000 88 4PY 0.00122 -0.00005 0.00026 -0.00007 0.00013 89 4PZ -0.00048 -0.00001 0.00009 -0.00004 0.00004 90 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 91 5YY 0.00004 0.00000 0.00000 0.00000 0.00000 92 5ZZ -0.00001 0.00000 0.00000 0.00000 0.00000 93 5XY 0.00001 0.00000 0.00000 0.00000 0.00000 94 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2S 0.00001 0.00000 0.00000 0.00000 0.00000 98 2PX -0.00001 0.00000 0.00000 0.00000 0.00000 99 2PY -0.00001 0.00000 0.00000 0.00000 0.00000 100 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 3S -0.00012 0.00000 0.00000 0.00000 0.00000 102 3PX 0.00033 0.00000 0.00001 0.00000 0.00000 103 3PY 0.00083 0.00000 0.00002 0.00000 0.00001 104 3PZ -0.00003 0.00000 0.00000 0.00000 0.00000 105 4S -0.00034 0.00000 -0.00005 0.00004 -0.00003 106 4PX 0.00066 -0.00003 0.00018 -0.00004 0.00000 107 4PY 0.00122 -0.00005 0.00026 -0.00007 0.00013 108 4PZ -0.00048 -0.00002 0.00009 -0.00004 0.00004 109 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 110 5YY 0.00004 0.00000 0.00000 0.00000 0.00000 111 5ZZ -0.00001 0.00000 0.00000 0.00000 0.00000 112 5XY 0.00001 0.00000 0.00000 0.00000 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 7 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00001 0.00000 0.00000 0.00000 0.00000 117 3S -0.00002 0.00000 0.00000 0.00000 0.00000 118 4S -0.00005 0.00000 0.00000 0.00000 0.00000 119 5S -0.00004 0.00000 0.00000 0.00000 0.00000 120 6S -0.00063 -0.00010 0.00001 0.00004 0.00000 121 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 122 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX -0.00003 0.00000 0.00000 0.00000 0.00000 125 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX 0.00090 0.00001 0.00000 0.00000 0.00000 128 9PY -0.00001 0.00000 0.00000 0.00000 0.00000 129 9PZ -0.00002 0.00000 0.00000 0.00000 0.00000 130 10PX 0.00262 0.00058 -0.00008 -0.00015 0.00007 131 10PY -0.00010 0.00004 -0.00001 0.00000 0.00002 132 10PZ -0.00061 0.00015 -0.00003 -0.00003 0.00001 133 11XX 0.00003 0.00000 0.00000 0.00000 0.00000 134 11YY 0.00002 0.00000 0.00000 0.00000 0.00000 135 11ZZ 0.00002 0.00000 0.00000 0.00000 0.00000 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00036 0.00001 0.00000 0.00000 0.00000 140 12YY 0.00005 0.00000 0.00000 0.00000 0.00000 141 12ZZ 0.00003 0.00000 0.00000 0.00000 0.00000 142 12XY 0.00001 0.00000 0.00000 0.00000 0.00000 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00001 0.00000 0.00000 0.00000 0.00000 147 3S -0.00002 0.00000 0.00000 0.00000 0.00000 148 4S -0.00005 0.00000 0.00000 0.00000 0.00000 149 5S -0.00004 0.00000 0.00000 0.00000 0.00000 150 6S -0.00063 -0.00010 0.00001 0.00004 0.00000 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX -0.00003 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00090 0.00001 0.00000 0.00000 0.00000 158 9PY -0.00001 0.00000 0.00000 0.00000 0.00000 159 9PZ -0.00002 0.00000 0.00000 0.00000 0.00000 160 10PX 0.00262 0.00058 -0.00008 -0.00015 0.00007 161 10PY -0.00010 0.00004 -0.00001 0.00000 0.00002 162 10PZ -0.00061 0.00015 -0.00003 -0.00003 0.00001 163 11XX 0.00003 0.00000 0.00000 0.00000 0.00000 164 11YY 0.00002 0.00000 0.00000 0.00000 0.00000 165 11ZZ 0.00002 0.00000 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00036 0.00001 0.00000 0.00000 0.00000 170 12YY 0.00005 0.00000 0.00000 0.00000 0.00000 171 12ZZ 0.00003 0.00000 0.00000 0.00000 0.00000 172 12XY 0.00001 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 56 57 58 59 60 56 5XZ 0.00898 57 5YZ 0.00000 0.00858 58 4 Cl 1S 0.00000 0.00000 2.16066 59 2S 0.00000 0.00000 -0.16532 2.39686 60 2PX 0.00000 0.00000 0.00000 0.00000 2.13265 61 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 62 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 63 3S 0.00000 0.00000 0.00045 -0.14102 0.00000 64 3PX 0.00025 0.00000 0.00000 0.00000 -0.11881 65 3PY 0.00000 0.00032 0.00000 0.00000 0.00000 66 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 67 4S 0.00000 0.00000 0.00126 -0.03367 0.00000 68 4PX 0.00005 0.00000 0.00000 0.00000 -0.00613 69 4PY 0.00000 -0.00022 0.00000 0.00000 0.00000 70 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 71 5XX 0.00000 0.00000 0.00007 -0.00712 0.00000 72 5YY 0.00000 0.00000 0.00006 -0.00489 0.00000 73 5ZZ 0.00000 0.00000 0.00007 -0.00693 0.00000 74 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 75 5XZ 0.00006 0.00000 0.00000 0.00000 0.00000 76 5YZ 0.00000 0.00008 0.00000 0.00000 0.00000 77 5 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2S 0.00000 0.00000 0.00000 0.00000 0.00000 79 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 80 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 81 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 3S 0.00000 0.00000 0.00000 0.00000 0.00000 83 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 84 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 85 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 86 4S 0.00000 -0.00003 0.00000 -0.00001 0.00000 87 4PX 0.00000 -0.00003 0.00000 0.00002 0.00000 88 4PY 0.00000 -0.00004 0.00000 0.00004 0.00001 89 4PZ 0.00000 0.00000 0.00000 0.00003 0.00001 90 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 91 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 92 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 94 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 99 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 100 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 3S 0.00000 0.00000 0.00000 0.00000 0.00000 102 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 103 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 104 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4S 0.00000 -0.00003 0.00000 -0.00001 0.00000 106 4PX 0.00000 -0.00003 0.00000 0.00002 0.00000 107 4PY 0.00000 -0.00004 0.00000 0.00004 0.00001 108 4PZ 0.00000 0.00000 0.00000 0.00003 0.00001 109 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 110 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 111 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 7 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00000 0.00000 0.00000 0.00000 0.00000 117 3S 0.00000 0.00000 0.00000 0.00000 0.00000 118 4S 0.00000 0.00000 0.00000 0.00000 0.00000 119 5S 0.00000 0.00000 0.00000 0.00000 0.00000 120 6S -0.00002 0.00000 0.00000 -0.00001 0.00001 121 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 122 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 128 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 129 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 10PX -0.00004 -0.00001 0.00000 0.00006 0.00008 131 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 132 10PZ 0.00000 0.00000 0.00000 0.00002 0.00002 133 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 140 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 141 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3S 0.00000 0.00000 0.00000 0.00000 0.00000 148 4S 0.00000 0.00000 0.00000 0.00000 0.00000 149 5S 0.00000 0.00000 0.00000 0.00000 0.00000 150 6S -0.00002 0.00000 0.00000 -0.00001 0.00001 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 158 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX -0.00004 -0.00001 0.00000 0.00006 0.00008 161 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 10PZ 0.00000 0.00000 0.00000 0.00002 0.00002 163 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 164 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 165 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 62 63 64 65 61 2PY 2.12913 62 2PZ 0.00000 2.14552 63 3S 0.00000 0.00000 1.15413 64 3PX 0.00000 0.00000 0.00000 1.10690 65 3PY -0.11901 0.00000 0.00000 0.00000 1.10652 66 3PZ 0.00000 -0.13012 0.00000 0.00000 0.00000 67 4S 0.00000 0.00000 0.17075 0.00000 0.00000 68 4PX 0.00000 0.00000 0.00000 0.10250 0.00000 69 4PY -0.00958 0.00000 0.00000 0.00000 0.18010 70 4PZ 0.00000 -0.00703 0.00000 0.00000 0.00000 71 5XX 0.00000 0.00000 0.01578 0.00000 0.00000 72 5YY 0.00000 0.00000 -0.00683 0.00000 0.00000 73 5ZZ 0.00000 0.00000 0.00875 0.00000 0.00000 74 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 75 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 5 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2S 0.00000 0.00000 0.00000 0.00000 0.00000 79 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 80 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 81 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 3S 0.00000 0.00000 0.00000 -0.00001 -0.00004 83 3PX 0.00000 0.00000 -0.00002 0.00000 -0.00008 84 3PY 0.00000 0.00000 -0.00006 -0.00006 -0.00022 85 3PZ 0.00000 0.00000 -0.00002 -0.00001 -0.00008 86 4S 0.00001 0.00000 0.00013 -0.00004 -0.00087 87 4PX 0.00003 0.00000 -0.00035 0.00000 -0.00145 88 4PY 0.00007 -0.00001 -0.00089 -0.00061 -0.00314 89 4PZ 0.00003 0.00000 -0.00051 -0.00025 -0.00133 90 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 91 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 92 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 94 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 99 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 100 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 3S 0.00000 0.00000 0.00000 -0.00001 -0.00004 102 3PX 0.00000 0.00000 -0.00002 0.00000 -0.00008 103 3PY 0.00000 0.00000 -0.00006 -0.00006 -0.00022 104 3PZ 0.00000 0.00000 -0.00002 -0.00001 -0.00008 105 4S 0.00001 0.00000 0.00013 -0.00004 -0.00087 106 4PX 0.00003 0.00000 -0.00035 0.00000 -0.00145 107 4PY 0.00007 -0.00001 -0.00089 -0.00061 -0.00314 108 4PZ 0.00003 0.00000 -0.00051 -0.00025 -0.00133 109 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 110 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 111 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 7 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00000 0.00000 0.00000 0.00000 0.00000 117 3S 0.00000 0.00000 0.00000 0.00000 0.00000 118 4S 0.00000 0.00000 0.00000 0.00000 0.00000 119 5S 0.00000 0.00000 0.00000 -0.00001 0.00000 120 6S 0.00000 0.00000 0.00020 -0.00070 -0.00007 121 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 122 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX 0.00000 0.00000 -0.00003 -0.00015 -0.00001 128 9PY 0.00000 0.00000 0.00000 -0.00001 0.00000 129 9PZ 0.00000 0.00000 -0.00001 -0.00003 0.00000 130 10PX 0.00001 0.00000 -0.00140 -0.00469 -0.00042 131 10PY 0.00000 0.00000 -0.00001 -0.00013 -0.00009 132 10PZ 0.00000 0.00000 -0.00048 -0.00131 -0.00007 133 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00000 0.00000 -0.00003 0.00000 0.00000 140 12YY 0.00000 0.00000 0.00000 0.00001 0.00000 141 12ZZ 0.00000 0.00000 0.00000 0.00001 0.00000 142 12XY 0.00000 0.00000 0.00000 0.00001 0.00000 143 12XZ 0.00000 0.00000 -0.00001 -0.00001 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3S 0.00000 0.00000 0.00000 0.00000 0.00000 148 4S 0.00000 0.00000 0.00000 0.00000 0.00000 149 5S 0.00000 0.00000 0.00000 -0.00001 0.00000 150 6S 0.00000 0.00000 0.00020 -0.00069 -0.00007 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00000 0.00000 -0.00003 -0.00015 -0.00001 158 9PY 0.00000 0.00000 0.00000 -0.00001 0.00000 159 9PZ 0.00000 0.00000 -0.00001 -0.00003 0.00000 160 10PX 0.00001 0.00000 -0.00140 -0.00469 -0.00042 161 10PY 0.00000 0.00000 -0.00001 -0.00013 -0.00009 162 10PZ 0.00000 0.00000 -0.00048 -0.00131 -0.00007 163 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 164 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 165 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 -0.00003 0.00000 0.00000 170 12YY 0.00000 0.00000 0.00000 0.00001 0.00000 171 12ZZ 0.00000 0.00000 0.00000 0.00001 0.00000 172 12XY 0.00000 0.00000 0.00000 0.00001 0.00000 173 12XZ 0.00000 0.00000 -0.00001 -0.00001 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 67 68 69 70 66 3PZ 1.20762 67 4S 0.00000 0.27436 68 4PX 0.00000 0.00000 0.04100 69 4PY 0.00000 0.00000 0.00000 0.09788 70 4PZ 0.16307 0.00000 0.00000 0.00000 0.11763 71 5XX 0.00000 0.01294 0.00000 0.00000 0.00000 72 5YY 0.00000 0.00843 0.00000 0.00000 0.00000 73 5ZZ 0.00000 -0.02666 0.00000 0.00000 0.00000 74 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 75 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 5 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2S 0.00000 0.00001 -0.00001 0.00001 0.00001 79 2PX 0.00000 0.00000 0.00000 0.00003 -0.00001 80 2PY 0.00000 0.00000 0.00000 0.00005 -0.00001 81 2PZ 0.00000 0.00001 0.00000 0.00001 0.00000 82 3S 0.00000 -0.00011 0.00011 -0.00037 -0.00012 83 3PX -0.00001 -0.00040 -0.00001 -0.00144 0.00033 84 3PY 0.00001 0.00034 -0.00015 -0.00229 0.00083 85 3PZ 0.00000 -0.00046 -0.00026 -0.00043 -0.00003 86 4S 0.00012 -0.00109 0.00002 -0.00049 -0.00034 87 4PX -0.00003 -0.00135 0.00002 -0.00338 0.00066 88 4PY 0.00036 -0.00015 -0.00026 -0.00421 0.00122 89 4PZ 0.00000 -0.00150 -0.00056 -0.00128 -0.00048 90 5XX 0.00000 0.00000 0.00000 0.00001 0.00000 91 5YY 0.00000 0.00002 0.00000 -0.00006 0.00004 92 5ZZ 0.00000 0.00001 0.00000 0.00002 -0.00001 93 5XY 0.00000 -0.00001 0.00000 -0.00002 0.00001 94 5XZ 0.00000 0.00000 0.00000 0.00001 0.00000 95 5YZ 0.00000 -0.00001 -0.00001 0.00002 0.00000 96 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2S 0.00000 0.00001 -0.00001 0.00001 0.00001 98 2PX 0.00000 0.00000 0.00000 0.00003 -0.00001 99 2PY 0.00000 0.00000 0.00000 0.00005 -0.00001 100 2PZ 0.00000 0.00001 0.00000 0.00001 0.00000 101 3S 0.00000 -0.00011 0.00011 -0.00037 -0.00012 102 3PX -0.00001 -0.00040 -0.00001 -0.00144 0.00033 103 3PY 0.00001 0.00034 -0.00015 -0.00229 0.00083 104 3PZ 0.00000 -0.00046 -0.00026 -0.00043 -0.00003 105 4S 0.00012 -0.00109 0.00002 -0.00049 -0.00034 106 4PX -0.00003 -0.00135 0.00002 -0.00338 0.00066 107 4PY 0.00036 -0.00015 -0.00026 -0.00421 0.00122 108 4PZ 0.00000 -0.00150 -0.00056 -0.00128 -0.00048 109 5XX 0.00000 0.00000 0.00000 0.00001 0.00000 110 5YY 0.00000 0.00002 0.00000 -0.00006 0.00004 111 5ZZ 0.00000 0.00001 0.00000 0.00002 -0.00001 112 5XY 0.00000 -0.00001 0.00000 -0.00002 0.00001 113 5XZ 0.00000 0.00000 0.00000 0.00001 0.00000 114 5YZ 0.00000 -0.00001 -0.00001 0.00002 0.00000 115 7 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00000 0.00000 -0.00003 0.00000 0.00001 117 3S 0.00000 0.00000 0.00006 0.00001 -0.00002 118 4S 0.00000 0.00002 0.00020 0.00002 -0.00005 119 5S 0.00000 0.00000 -0.00012 -0.00006 -0.00004 120 6S 0.00014 -0.00158 0.00002 0.00005 -0.00063 121 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 122 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00000 0.00000 0.00011 0.00001 -0.00003 125 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 8PZ 0.00000 0.00001 0.00002 0.00000 0.00000 127 9PX 0.00000 -0.00015 -0.00264 -0.00029 0.00090 128 9PY 0.00000 0.00013 0.00014 -0.00002 -0.00001 129 9PZ 0.00000 -0.00029 -0.00042 0.00004 -0.00002 130 10PX 0.00027 -0.00212 -0.00864 -0.00106 0.00262 131 10PY 0.00005 0.00061 0.00065 -0.00021 -0.00010 132 10PZ 0.00000 -0.00162 -0.00177 0.00010 -0.00061 133 11XX 0.00000 0.00000 -0.00009 -0.00001 0.00003 134 11YY 0.00000 -0.00001 -0.00008 0.00000 0.00002 135 11ZZ 0.00000 0.00000 -0.00007 -0.00001 0.00002 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX -0.00001 0.00003 -0.00073 -0.00012 0.00036 140 12YY 0.00000 0.00007 -0.00010 0.00000 0.00005 141 12ZZ 0.00000 0.00008 -0.00014 -0.00002 0.00003 142 12XY 0.00001 0.00000 0.00000 0.00000 0.00001 143 12XZ 0.00000 -0.00004 -0.00002 0.00002 0.00000 144 12YZ 0.00000 0.00000 -0.00001 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 -0.00003 0.00000 0.00001 147 3S 0.00000 0.00000 0.00006 0.00001 -0.00002 148 4S 0.00000 0.00002 0.00020 0.00002 -0.00005 149 5S 0.00000 0.00000 -0.00012 -0.00006 -0.00004 150 6S 0.00014 -0.00158 0.00002 0.00005 -0.00063 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00011 0.00001 -0.00003 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00001 0.00002 0.00000 0.00000 157 9PX 0.00000 -0.00015 -0.00264 -0.00029 0.00090 158 9PY 0.00000 0.00013 0.00014 -0.00002 -0.00001 159 9PZ 0.00000 -0.00029 -0.00042 0.00004 -0.00002 160 10PX 0.00027 -0.00212 -0.00864 -0.00106 0.00262 161 10PY 0.00005 0.00061 0.00065 -0.00021 -0.00010 162 10PZ 0.00000 -0.00162 -0.00177 0.00010 -0.00061 163 11XX 0.00000 0.00000 -0.00009 -0.00001 0.00003 164 11YY 0.00000 -0.00001 -0.00008 0.00000 0.00002 165 11ZZ 0.00000 0.00000 -0.00007 -0.00001 0.00002 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX -0.00001 0.00003 -0.00073 -0.00012 0.00036 170 12YY 0.00000 0.00007 -0.00010 0.00000 0.00005 171 12ZZ 0.00000 0.00008 -0.00014 -0.00002 0.00003 172 12XY 0.00001 0.00000 0.00000 0.00000 0.00001 173 12XZ 0.00000 -0.00004 -0.00002 0.00002 0.00000 174 12YZ 0.00000 0.00000 -0.00001 0.00000 0.00000 71 72 73 74 75 71 5XX 0.00586 72 5YY 0.00040 0.00364 73 5ZZ -0.00138 -0.00115 0.01340 74 5XY 0.00000 0.00000 0.00000 0.00213 75 5XZ 0.00000 0.00000 0.00000 0.00000 0.00898 76 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 5 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2S 0.00000 0.00000 0.00000 0.00000 0.00000 79 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 80 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 81 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 3S 0.00000 0.00000 0.00000 0.00000 0.00000 83 3PX 0.00000 0.00001 0.00000 0.00000 0.00000 84 3PY 0.00000 0.00002 0.00000 0.00001 0.00000 85 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 86 4S 0.00000 -0.00005 0.00004 -0.00003 0.00000 87 4PX -0.00003 0.00018 -0.00004 0.00000 0.00000 88 4PY -0.00005 0.00026 -0.00007 0.00013 0.00000 89 4PZ -0.00002 0.00009 -0.00004 0.00004 0.00000 90 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 91 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 92 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 94 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 99 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 100 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 3S 0.00000 0.00000 0.00000 0.00000 0.00000 102 3PX 0.00000 0.00001 0.00000 0.00000 0.00000 103 3PY 0.00000 0.00002 0.00000 0.00001 0.00000 104 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4S 0.00000 -0.00005 0.00004 -0.00003 0.00000 106 4PX -0.00003 0.00018 -0.00004 0.00000 0.00000 107 4PY -0.00005 0.00026 -0.00007 0.00013 0.00000 108 4PZ -0.00002 0.00009 -0.00004 0.00004 0.00000 109 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 110 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 111 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 7 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00000 0.00000 0.00000 0.00000 0.00000 117 3S 0.00000 0.00000 0.00000 0.00000 0.00000 118 4S 0.00000 0.00000 0.00000 0.00000 0.00000 119 5S 0.00000 0.00000 0.00000 0.00000 0.00000 120 6S -0.00010 0.00001 0.00004 0.00000 -0.00002 121 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 122 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX 0.00001 0.00000 0.00000 0.00000 0.00000 128 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 129 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 10PX 0.00058 -0.00008 -0.00015 0.00007 -0.00004 131 10PY 0.00004 -0.00001 0.00000 0.00002 0.00000 132 10PZ 0.00015 -0.00003 -0.00003 0.00001 0.00000 133 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00001 0.00000 0.00000 0.00000 0.00000 140 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 141 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3S 0.00000 0.00000 0.00000 0.00000 0.00000 148 4S 0.00000 0.00000 0.00000 0.00000 0.00000 149 5S 0.00000 0.00000 0.00000 0.00000 0.00000 150 6S -0.00010 0.00001 0.00004 0.00000 -0.00002 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00001 0.00000 0.00000 0.00000 0.00000 158 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX 0.00058 -0.00008 -0.00015 0.00007 -0.00004 161 10PY 0.00004 -0.00001 0.00000 0.00002 0.00000 162 10PZ 0.00015 -0.00003 -0.00003 0.00001 0.00000 163 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 164 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 165 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00001 0.00000 0.00000 0.00000 0.00000 170 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 77 78 79 80 76 5YZ 0.00858 77 5 Cl 1S 0.00000 2.16061 78 2S 0.00000 -0.16509 2.39039 79 2PX 0.00000 0.00000 0.00000 2.11781 80 2PY 0.00000 0.00000 0.00000 0.00000 2.09516 81 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 3S 0.00000 0.00052 -0.14845 0.00000 0.00000 83 3PX 0.00000 0.00000 0.00000 -0.10923 0.00000 84 3PY 0.00000 0.00000 0.00000 0.00000 -0.08939 85 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 86 4S -0.00003 0.00251 -0.07821 0.00000 0.00000 87 4PX -0.00003 0.00000 0.00000 -0.01611 0.00000 88 4PY -0.00004 0.00000 0.00000 0.00000 -0.01114 89 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 5XX 0.00000 0.00006 -0.00361 0.00000 0.00000 91 5YY 0.00000 0.00006 -0.00469 0.00000 0.00000 92 5ZZ 0.00000 0.00006 -0.00367 0.00000 0.00000 93 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 94 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 99 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 100 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 3S 0.00000 0.00000 0.00000 0.00000 0.00000 102 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 103 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 104 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4S -0.00003 0.00000 0.00000 0.00000 0.00000 106 4PX -0.00003 0.00000 0.00000 0.00000 0.00000 107 4PY -0.00004 0.00000 0.00000 0.00000 0.00000 108 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 109 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 110 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 111 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 7 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00000 0.00000 0.00000 0.00000 0.00000 117 3S 0.00000 0.00000 0.00000 0.00000 0.00000 118 4S 0.00000 0.00000 0.00000 0.00000 0.00000 119 5S 0.00000 0.00000 0.00000 0.00000 0.00000 120 6S 0.00000 0.00000 0.00000 0.00000 0.00000 121 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 122 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 128 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 129 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 10PX -0.00001 0.00000 0.00000 0.00000 0.00001 131 10PY 0.00000 0.00000 0.00001 0.00001 0.00002 132 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 140 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 141 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3S 0.00000 0.00000 0.00000 0.00000 0.00000 148 4S 0.00000 0.00000 0.00000 0.00000 0.00000 149 5S 0.00000 0.00000 0.00000 0.00000 0.00000 150 6S 0.00000 0.00000 0.00000 0.00000 0.00000 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 158 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX -0.00001 0.00000 0.00000 0.00000 0.00000 161 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 164 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 165 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 82 83 84 85 81 2PZ 2.11767 82 3S 0.00000 1.20131 83 3PX 0.00000 0.00000 1.00734 84 3PY 0.00000 0.00000 0.00000 0.84400 85 3PZ -0.10862 0.00000 0.00000 0.00000 0.99634 86 4S 0.00000 0.43259 0.00000 0.00000 0.00000 87 4PX 0.00000 0.00000 0.32620 0.00000 0.00000 88 4PY 0.00000 0.00000 0.00000 0.21801 0.00000 89 4PZ -0.01675 0.00000 0.00000 0.00000 0.34406 90 5XX 0.00000 -0.01433 0.00000 0.00000 0.00000 91 5YY 0.00000 -0.00451 0.00000 0.00000 0.00000 92 5ZZ 0.00000 -0.01368 0.00000 0.00000 0.00000 93 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 94 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 99 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 100 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 3S 0.00000 0.00000 0.00000 0.00000 0.00000 102 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 103 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 104 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4S 0.00000 0.00000 0.00000 0.00000 0.00000 106 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 107 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 108 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 109 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 110 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 111 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 7 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00000 0.00000 0.00000 0.00000 0.00000 117 3S 0.00000 0.00000 0.00000 0.00000 0.00000 118 4S 0.00000 0.00000 0.00000 0.00000 0.00000 119 5S 0.00000 0.00000 0.00000 0.00000 0.00000 120 6S 0.00000 0.00002 -0.00035 -0.00001 0.00000 121 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 122 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 128 9PY 0.00000 0.00000 0.00000 -0.00001 0.00000 129 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 10PX 0.00000 -0.00005 -0.00008 -0.00041 0.00000 131 10PY 0.00000 -0.00030 -0.00081 -0.00140 0.00000 132 10PZ 0.00000 0.00000 0.00000 0.00000 -0.00011 133 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 140 12YY 0.00000 0.00000 0.00003 0.00000 0.00000 141 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3S 0.00000 0.00000 0.00000 0.00000 0.00000 148 4S 0.00000 0.00000 0.00000 0.00000 0.00000 149 5S 0.00000 0.00000 0.00000 0.00000 0.00000 150 6S 0.00000 0.00000 0.00000 0.00000 0.00000 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 158 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX 0.00000 0.00000 -0.00001 0.00000 0.00000 161 10PY 0.00000 0.00000 -0.00001 0.00000 0.00000 162 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 164 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 165 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 86 87 88 89 90 86 4S 0.25113 87 4PX 0.00000 0.27413 88 4PY 0.00000 0.00000 0.14854 89 4PZ 0.00000 0.00000 0.00000 0.30746 90 5XX -0.00361 0.00000 0.00000 0.00000 0.00117 91 5YY -0.00355 0.00000 0.00000 0.00000 -0.00004 92 5ZZ -0.00318 0.00000 0.00000 0.00000 0.00035 93 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 94 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 99 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 100 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 3S 0.00000 0.00000 0.00000 0.00000 0.00000 102 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 103 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 104 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4S 0.00000 0.00000 0.00000 0.00000 0.00000 106 4PX 0.00000 0.00000 -0.00001 0.00000 0.00000 107 4PY 0.00000 -0.00001 -0.00003 0.00000 0.00000 108 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 109 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 110 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 111 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 7 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00000 0.00000 0.00000 0.00000 0.00000 117 3S 0.00000 0.00001 0.00001 0.00000 0.00000 118 4S -0.00001 0.00004 0.00003 0.00000 0.00000 119 5S 0.00002 0.00007 -0.00014 0.00000 0.00000 120 6S -0.00007 -0.00230 -0.00001 0.00000 0.00000 121 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 122 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00000 0.00000 0.00001 0.00000 0.00000 125 8PY 0.00001 0.00002 0.00003 0.00000 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX 0.00009 -0.00002 -0.00028 0.00000 0.00000 128 9PY -0.00034 -0.00056 -0.00104 0.00000 0.00000 129 9PZ 0.00000 0.00000 0.00000 -0.00009 0.00000 130 10PX 0.00074 -0.00015 -0.00134 0.00000 0.00000 131 10PY -0.00285 -0.00434 -0.00578 0.00000 0.00002 132 10PZ 0.00000 0.00000 0.00000 -0.00125 0.00000 133 11XX 0.00000 -0.00001 -0.00001 0.00000 0.00000 134 11YY 0.00001 -0.00002 -0.00001 0.00000 0.00000 135 11ZZ 0.00000 -0.00001 -0.00001 0.00000 0.00000 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00005 0.00005 -0.00006 0.00000 0.00000 140 12YY 0.00002 0.00032 -0.00005 0.00000 0.00000 141 12ZZ 0.00002 0.00005 -0.00005 0.00000 0.00000 142 12XY -0.00004 -0.00001 0.00000 0.00000 0.00000 143 12XZ 0.00000 0.00000 0.00000 -0.00001 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00001 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3S 0.00000 0.00000 0.00000 0.00000 0.00000 148 4S 0.00000 0.00000 0.00000 0.00000 0.00000 149 5S 0.00000 0.00000 0.00000 0.00000 0.00000 150 6S 0.00000 -0.00005 0.00001 0.00000 0.00000 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 158 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX 0.00000 -0.00007 0.00003 0.00000 0.00000 161 10PY -0.00002 -0.00010 0.00001 0.00000 0.00000 162 10PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 163 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 164 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 165 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 92 93 94 95 91 5YY 0.00325 92 5ZZ -0.00003 0.00109 93 5XY 0.00000 0.00000 0.00091 94 5XZ 0.00000 0.00000 0.00000 0.00005 95 5YZ 0.00000 0.00000 0.00000 0.00000 0.00079 96 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 99 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 100 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 3S 0.00000 0.00000 0.00000 0.00000 0.00000 102 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 103 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 104 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4S 0.00000 0.00000 0.00000 0.00000 0.00000 106 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 107 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 108 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 109 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 110 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 111 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 7 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00000 0.00000 0.00000 0.00000 0.00000 117 3S 0.00000 0.00000 0.00000 0.00000 0.00000 118 4S 0.00000 0.00000 0.00000 0.00000 0.00000 119 5S 0.00000 0.00000 0.00000 0.00000 0.00000 120 6S 0.00000 0.00000 -0.00001 0.00000 0.00000 121 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 122 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 128 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 129 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 131 10PY 0.00002 0.00000 0.00003 0.00000 0.00000 132 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 140 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 141 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3S 0.00000 0.00000 0.00000 0.00000 0.00000 148 4S 0.00000 0.00000 0.00000 0.00000 0.00000 149 5S 0.00000 0.00000 0.00000 0.00000 0.00000 150 6S 0.00000 0.00000 0.00000 0.00000 0.00000 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 158 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 164 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 165 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 97 98 99 100 96 6 Cl 1S 2.16061 97 2S -0.16509 2.39039 98 2PX 0.00000 0.00000 2.11781 99 2PY 0.00000 0.00000 0.00000 2.09516 100 2PZ 0.00000 0.00000 0.00000 0.00000 2.11767 101 3S 0.00052 -0.14845 0.00000 0.00000 0.00000 102 3PX 0.00000 0.00000 -0.10923 0.00000 0.00000 103 3PY 0.00000 0.00000 0.00000 -0.08939 0.00000 104 3PZ 0.00000 0.00000 0.00000 0.00000 -0.10862 105 4S 0.00251 -0.07821 0.00000 0.00000 0.00000 106 4PX 0.00000 0.00000 -0.01611 0.00000 0.00000 107 4PY 0.00000 0.00000 0.00000 -0.01114 0.00000 108 4PZ 0.00000 0.00000 0.00000 0.00000 -0.01675 109 5XX 0.00006 -0.00361 0.00000 0.00000 0.00000 110 5YY 0.00006 -0.00469 0.00000 0.00000 0.00000 111 5ZZ 0.00006 -0.00367 0.00000 0.00000 0.00000 112 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 7 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00000 0.00000 0.00000 0.00000 0.00000 117 3S 0.00000 0.00000 0.00000 0.00000 0.00000 118 4S 0.00000 0.00000 0.00000 0.00000 0.00000 119 5S 0.00000 0.00000 0.00000 0.00000 0.00000 120 6S 0.00000 0.00000 0.00000 0.00000 0.00000 121 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 122 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 128 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 129 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 131 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 132 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 140 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 141 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3S 0.00000 0.00000 0.00000 0.00000 0.00000 148 4S 0.00000 0.00000 0.00000 0.00000 0.00000 149 5S 0.00000 0.00000 0.00000 0.00000 0.00000 150 6S 0.00000 0.00000 0.00000 0.00000 0.00000 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 158 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX 0.00000 0.00000 0.00000 0.00001 0.00000 161 10PY 0.00000 0.00001 0.00001 0.00002 0.00000 162 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 164 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 165 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 102 103 104 105 101 3S 1.20131 102 3PX 0.00000 1.00733 103 3PY 0.00000 0.00000 0.84400 104 3PZ 0.00000 0.00000 0.00000 0.99634 105 4S 0.43259 0.00000 0.00000 0.00000 0.25112 106 4PX 0.00000 0.32620 0.00000 0.00000 0.00000 107 4PY 0.00000 0.00000 0.21802 0.00000 0.00000 108 4PZ 0.00000 0.00000 0.00000 0.34406 0.00000 109 5XX -0.01433 0.00000 0.00000 0.00000 -0.00361 110 5YY -0.00451 0.00000 0.00000 0.00000 -0.00355 111 5ZZ -0.01368 0.00000 0.00000 0.00000 -0.00318 112 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 7 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00000 0.00000 0.00000 0.00000 0.00000 117 3S 0.00000 0.00000 0.00000 0.00000 0.00000 118 4S 0.00000 0.00000 0.00000 0.00000 0.00000 119 5S 0.00000 0.00000 0.00000 0.00000 0.00000 120 6S 0.00000 0.00000 0.00000 0.00000 0.00000 121 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 122 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 128 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 129 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 10PX 0.00000 -0.00001 0.00000 0.00000 0.00000 131 10PY 0.00000 -0.00001 0.00000 0.00000 -0.00002 132 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 140 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 141 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3S 0.00000 0.00000 0.00000 0.00000 0.00000 148 4S 0.00000 0.00000 0.00000 0.00000 -0.00001 149 5S 0.00000 0.00000 0.00000 0.00000 0.00002 150 6S 0.00002 -0.00035 -0.00001 0.00000 -0.00007 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00001 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00000 0.00000 0.00000 0.00000 0.00009 158 9PY 0.00000 0.00000 -0.00001 0.00000 -0.00034 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX -0.00005 -0.00008 -0.00041 0.00000 0.00074 161 10PY -0.00030 -0.00081 -0.00140 0.00000 -0.00285 162 10PZ 0.00000 0.00000 0.00000 -0.00011 0.00000 163 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 164 11YY 0.00000 0.00000 0.00000 0.00000 0.00001 165 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 0.00000 0.00000 0.00005 170 12YY 0.00000 0.00003 0.00000 0.00000 0.00002 171 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00002 172 12XY 0.00000 0.00000 0.00000 0.00000 -0.00004 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 107 108 109 110 106 4PX 0.27414 107 4PY 0.00000 0.14854 108 4PZ 0.00000 0.00000 0.30746 109 5XX 0.00000 0.00000 0.00000 0.00117 110 5YY 0.00000 0.00000 0.00000 -0.00004 0.00325 111 5ZZ 0.00000 0.00000 0.00000 0.00035 -0.00003 112 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 7 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00000 0.00000 0.00000 0.00000 0.00000 117 3S 0.00000 0.00000 0.00000 0.00000 0.00000 118 4S 0.00000 0.00000 0.00000 0.00000 0.00000 119 5S 0.00000 0.00000 0.00000 0.00000 0.00000 120 6S -0.00005 0.00001 0.00000 0.00000 0.00000 121 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 122 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 128 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 129 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 10PX -0.00007 0.00003 0.00000 0.00000 0.00000 131 10PY -0.00010 0.00001 0.00000 0.00000 0.00000 132 10PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 133 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 140 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 141 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3S 0.00001 0.00001 0.00000 0.00000 0.00000 148 4S 0.00004 0.00002 0.00000 0.00000 0.00000 149 5S 0.00007 -0.00014 0.00000 0.00000 0.00000 150 6S -0.00230 -0.00001 0.00000 0.00000 0.00000 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00001 0.00000 0.00000 0.00000 155 8PY 0.00002 0.00003 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX -0.00002 -0.00028 0.00000 0.00000 0.00000 158 9PY -0.00056 -0.00103 0.00000 0.00000 0.00000 159 9PZ 0.00000 0.00000 -0.00009 0.00000 0.00000 160 10PX -0.00015 -0.00133 0.00000 0.00000 0.00000 161 10PY -0.00434 -0.00577 0.00000 0.00002 0.00002 162 10PZ 0.00000 0.00000 -0.00125 0.00000 0.00000 163 11XX -0.00001 -0.00001 0.00000 0.00000 0.00000 164 11YY -0.00002 -0.00001 0.00000 0.00000 0.00000 165 11ZZ -0.00001 -0.00001 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00005 -0.00006 0.00000 0.00000 0.00000 170 12YY 0.00032 -0.00005 0.00000 0.00000 0.00000 171 12ZZ 0.00005 -0.00005 0.00000 0.00000 0.00000 172 12XY -0.00001 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 -0.00001 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00001 0.00000 0.00000 111 112 113 114 115 111 5ZZ 0.00109 112 5XY 0.00000 0.00091 113 5XZ 0.00000 0.00000 0.00005 114 5YZ 0.00000 0.00000 0.00000 0.00079 115 7 Br 1S 0.00000 0.00000 0.00000 0.00000 2.39617 116 2S 0.00000 0.00000 0.00000 0.00000 -0.50323 117 3S 0.00000 0.00000 0.00000 0.00000 0.07237 118 4S 0.00000 0.00000 0.00000 0.00000 0.06063 119 5S 0.00000 0.00000 0.00000 0.00000 0.00352 120 6S 0.00000 0.00000 0.00000 0.00000 0.00275 121 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 122 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 128 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 129 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 131 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 132 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 11XX 0.00000 0.00000 0.00000 0.00000 -0.00972 134 11YY 0.00000 0.00000 0.00000 0.00000 -0.00973 135 11ZZ 0.00000 0.00000 0.00000 0.00000 -0.00973 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00000 0.00000 0.00000 0.00000 -0.00001 140 12YY 0.00000 0.00000 0.00000 0.00000 -0.00001 141 12ZZ 0.00000 0.00000 0.00000 0.00000 -0.00001 142 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3S 0.00000 0.00000 0.00000 0.00000 0.00000 148 4S 0.00000 0.00000 0.00000 0.00000 0.00000 149 5S 0.00000 0.00000 0.00000 0.00000 0.00000 150 6S 0.00000 -0.00001 0.00000 0.00000 0.00000 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 158 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 10PY 0.00000 0.00003 0.00000 0.00000 0.00000 162 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 164 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 165 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 117 118 119 120 116 2S 4.75205 117 3S -1.88700 2.01328 118 4S -1.79387 2.63297 4.46513 119 5S -0.08652 0.03296 -0.03750 0.99676 120 6S -0.08001 0.10114 0.21757 0.55979 0.63977 121 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 122 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 128 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 129 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 131 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 132 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 11XX 0.59243 -0.72966 -1.22924 -0.08749 -0.11547 134 11YY 0.59270 -0.73044 -1.23100 -0.08186 -0.12229 135 11ZZ 0.59274 -0.73040 -1.23125 -0.08156 -0.12249 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00184 -0.01044 -0.05393 -0.01140 -0.08634 140 12YY 0.00183 -0.01032 -0.05308 -0.01807 -0.08782 141 12ZZ 0.00183 -0.01030 -0.05299 -0.01872 -0.08577 142 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3S 0.00000 0.00000 0.00000 0.00000 0.00000 148 4S 0.00000 0.00000 0.00000 0.00000 0.00000 149 5S 0.00000 0.00000 0.00000 0.00000 0.00000 150 6S 0.00000 0.00000 0.00000 0.00000 0.00000 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 158 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 164 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 165 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 122 123 124 125 121 7PX 2.30158 122 7PY 0.00000 2.30399 123 7PZ 0.00000 0.00000 2.30482 124 8PX -0.30686 0.00000 0.00000 2.43921 125 8PY 0.00000 -0.30945 0.00000 0.00000 2.46069 126 8PZ 0.00000 0.00000 -0.31031 0.00000 0.00000 127 9PX 0.00133 0.00000 0.00000 -0.10415 0.00000 128 9PY 0.00000 0.00175 0.00000 0.00000 -0.11908 129 9PZ 0.00000 0.00000 0.00187 0.00000 0.00000 130 10PX 0.00076 0.00000 0.00000 -0.03011 0.00000 131 10PY 0.00000 0.00084 0.00000 0.00000 -0.03641 132 10PZ 0.00000 0.00000 0.00088 0.00000 0.00000 133 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 140 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 141 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3S 0.00000 0.00000 0.00000 0.00000 0.00000 148 4S 0.00000 0.00000 0.00000 0.00000 0.00000 149 5S 0.00000 0.00000 0.00000 0.00000 0.00000 150 6S 0.00000 0.00000 0.00000 0.00000 0.00000 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 158 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 164 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 165 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 127 128 129 130 126 8PZ 2.46729 127 9PX 0.00000 0.61152 128 9PY 0.00000 0.00000 0.68388 129 9PZ -0.12266 0.00000 0.00000 0.69526 130 10PX 0.00000 0.29195 0.00000 0.00000 0.32906 131 10PY 0.00000 0.00000 0.36353 0.00000 0.00000 132 10PZ -0.03965 0.00000 0.00000 0.39750 0.00000 133 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 140 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 141 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3S 0.00000 0.00000 0.00000 0.00000 0.00000 148 4S 0.00000 0.00000 0.00000 0.00000 0.00000 149 5S 0.00000 0.00000 0.00000 0.00000 0.00000 150 6S 0.00000 0.00000 0.00000 0.00000 0.00000 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 158 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX 0.00000 0.00000 0.00000 0.00000 -0.00004 161 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 164 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 165 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 132 133 134 135 131 10PY 0.44826 132 10PZ 0.00000 0.52328 133 11XX 0.00000 0.00000 2.71396 134 11YY 0.00000 0.00000 -0.08615 2.71557 135 11ZZ 0.00000 0.00000 -0.08617 -0.08609 2.71566 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00000 0.00000 0.05514 0.01439 0.01443 140 12YY 0.00000 0.00000 0.01397 0.05557 0.01441 141 12ZZ 0.00000 0.00000 0.01395 0.01436 0.05556 142 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3S 0.00000 0.00000 0.00000 0.00000 0.00000 148 4S 0.00000 0.00000 0.00000 0.00000 0.00000 149 5S 0.00000 0.00000 0.00000 0.00000 0.00000 150 6S 0.00000 0.00000 0.00000 0.00000 0.00000 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 158 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 164 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 165 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 137 138 139 140 136 11XY 1.98214 137 11XZ 0.00000 1.98231 138 11YZ 0.00000 0.00000 1.98262 139 12XX 0.00000 0.00000 0.00000 0.08763 140 12YY 0.00000 0.00000 0.00000 0.02725 0.08346 141 12ZZ 0.00000 0.00000 0.00000 0.02708 0.02701 142 12XY 0.00856 0.00000 0.00000 0.00000 0.00000 143 12XZ 0.00000 0.00838 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00825 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3S 0.00000 0.00000 0.00000 0.00000 0.00000 148 4S 0.00000 0.00000 0.00000 0.00000 0.00000 149 5S 0.00000 0.00000 0.00000 0.00000 0.00000 150 6S 0.00000 0.00000 0.00000 0.00000 0.00000 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 158 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 164 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 165 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 142 143 144 145 141 12ZZ 0.08197 142 12XY 0.00000 0.00282 143 12XZ 0.00000 0.00000 0.00258 144 12YZ 0.00000 0.00000 0.00000 0.00120 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 2.39617 146 2S 0.00000 0.00000 0.00000 0.00000 -0.50323 147 3S 0.00000 0.00000 0.00000 0.00000 0.07237 148 4S 0.00000 0.00000 0.00000 0.00000 0.06063 149 5S 0.00000 0.00000 0.00000 0.00000 0.00352 150 6S 0.00000 0.00000 0.00000 0.00000 0.00275 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 158 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 11XX 0.00000 0.00000 0.00000 0.00000 -0.00972 164 11YY 0.00000 0.00000 0.00000 0.00000 -0.00973 165 11ZZ 0.00000 0.00000 0.00000 0.00000 -0.00973 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 0.00000 0.00000 -0.00001 170 12YY 0.00000 0.00000 0.00000 0.00000 -0.00001 171 12ZZ 0.00000 0.00000 0.00000 0.00000 -0.00001 172 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 147 148 149 150 146 2S 4.75205 147 3S -1.88700 2.01328 148 4S -1.79387 2.63297 4.46513 149 5S -0.08652 0.03296 -0.03750 0.99677 150 6S -0.08001 0.10114 0.21757 0.55979 0.63978 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 158 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 11XX 0.59243 -0.72966 -1.22924 -0.08749 -0.11547 164 11YY 0.59270 -0.73044 -1.23100 -0.08186 -0.12229 165 11ZZ 0.59274 -0.73040 -1.23125 -0.08156 -0.12249 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00184 -0.01044 -0.05393 -0.01140 -0.08635 170 12YY 0.00183 -0.01032 -0.05308 -0.01807 -0.08782 171 12ZZ 0.00183 -0.01030 -0.05299 -0.01872 -0.08577 172 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 152 153 154 155 151 7PX 2.30158 152 7PY 0.00000 2.30399 153 7PZ 0.00000 0.00000 2.30482 154 8PX -0.30686 0.00000 0.00000 2.43921 155 8PY 0.00000 -0.30945 0.00000 0.00000 2.46068 156 8PZ 0.00000 0.00000 -0.31031 0.00000 0.00000 157 9PX 0.00133 0.00000 0.00000 -0.10415 0.00000 158 9PY 0.00000 0.00175 0.00000 0.00000 -0.11907 159 9PZ 0.00000 0.00000 0.00187 0.00000 0.00000 160 10PX 0.00076 0.00000 0.00000 -0.03011 0.00000 161 10PY 0.00000 0.00084 0.00000 0.00000 -0.03641 162 10PZ 0.00000 0.00000 0.00088 0.00000 0.00000 163 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 164 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 165 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 157 158 159 160 156 8PZ 2.46729 157 9PX 0.00000 0.61155 158 9PY 0.00000 0.00000 0.68386 159 9PZ -0.12266 0.00000 0.00000 0.69527 160 10PX 0.00000 0.29196 0.00000 0.00000 0.32908 161 10PY 0.00000 0.00000 0.36351 0.00000 0.00000 162 10PZ -0.03965 0.00000 0.00000 0.39750 0.00000 163 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 164 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 165 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 162 163 164 165 161 10PY 0.44823 162 10PZ 0.00000 0.52327 163 11XX 0.00000 0.00000 2.71396 164 11YY 0.00000 0.00000 -0.08615 2.71557 165 11ZZ 0.00000 0.00000 -0.08617 -0.08609 2.71566 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 0.05514 0.01439 0.01443 170 12YY 0.00000 0.00000 0.01397 0.05557 0.01441 171 12ZZ 0.00000 0.00000 0.01395 0.01436 0.05556 172 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 167 168 169 170 166 11XY 1.98214 167 11XZ 0.00000 1.98231 168 11YZ 0.00000 0.00000 1.98262 169 12XX 0.00000 0.00000 0.00000 0.08763 170 12YY 0.00000 0.00000 0.00000 0.02725 0.08346 171 12ZZ 0.00000 0.00000 0.00000 0.02708 0.02701 172 12XY 0.00856 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00838 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00825 0.00000 0.00000 171 172 173 174 171 12ZZ 0.08197 172 12XY 0.00000 0.00282 173 12XZ 0.00000 0.00000 0.00258 174 12YZ 0.00000 0.00000 0.00000 0.00120 Gross orbital populations: 1 1 1 Al 1S 1.99885 2 2S 1.99098 3 2PX 1.98580 4 2PY 1.98657 5 2PZ 1.98884 6 3S 0.91136 7 3PX 0.56758 8 3PY 0.58574 9 3PZ 0.50278 10 4S -0.01364 11 4PX 0.13350 12 4PY 0.06734 13 4PZ 0.08963 14 5XX 0.04914 15 5YY 0.06633 16 5ZZ 0.02143 17 5XY 0.12282 18 5XZ 0.13562 19 5YZ 0.11058 20 2 Al 1S 1.99885 21 2S 1.99098 22 2PX 1.98580 23 2PY 1.98657 24 2PZ 1.98884 25 3S 0.91136 26 3PX 0.56758 27 3PY 0.58574 28 3PZ 0.50278 29 4S -0.01366 30 4PX 0.13350 31 4PY 0.06731 32 4PZ 0.08962 33 5XX 0.04914 34 5YY 0.06632 35 5ZZ 0.02143 36 5XY 0.12284 37 5XZ 0.13563 38 5YZ 0.11057 39 3 Cl 1S 1.99864 40 2S 1.98804 41 2PX 1.98988 42 2PY 1.99087 43 2PZ 1.99029 44 3S 1.41242 45 3PX 1.33937 46 3PY 1.33346 47 3PZ 1.38524 48 4S 0.17486 49 4PX 0.11559 50 4PY 0.23754 51 4PZ 0.17077 52 5XX 0.02639 53 5YY -0.00900 54 5ZZ 0.03285 55 5XY 0.00627 56 5XZ 0.01811 57 5YZ 0.01871 58 4 Cl 1S 1.99864 59 2S 1.98804 60 2PX 1.98988 61 2PY 1.99087 62 2PZ 1.99029 63 3S 1.41243 64 3PX 1.33935 65 3PY 1.33347 66 3PZ 1.38523 67 4S 0.17487 68 4PX 0.11560 69 4PY 0.23754 70 4PZ 0.17077 71 5XX 0.02639 72 5YY -0.00900 73 5ZZ 0.03285 74 5XY 0.00627 75 5XZ 0.01811 76 5YZ 0.01871 77 5 Cl 1S 1.99865 78 2S 1.98850 79 2PX 1.99158 80 2PY 1.99005 81 2PZ 1.99174 82 3S 1.45574 83 3PX 1.25979 84 3PY 1.11013 85 3PZ 1.25471 86 4S 0.55771 87 4PX 0.61922 88 4PY 0.42934 89 4PZ 0.66138 90 5XX -0.02094 91 5YY -0.00134 92 5ZZ -0.02035 93 5XY 0.00182 94 5XZ 0.00009 95 5YZ 0.00134 96 6 Cl 1S 1.99865 97 2S 1.98850 98 2PX 1.99158 99 2PY 1.99005 100 2PZ 1.99174 101 3S 1.45574 102 3PX 1.25979 103 3PY 1.11013 104 3PZ 1.25471 105 4S 0.55772 106 4PX 0.61923 107 4PY 0.42935 108 4PZ 0.66139 109 5XX -0.02094 110 5YY -0.00135 111 5ZZ -0.02035 112 5XY 0.00182 113 5XZ 0.00009 114 5YZ 0.00134 115 7 Br 1S 2.00284 116 2S 2.19060 117 3S 0.73322 118 4S 1.66337 119 5S 1.18684 120 6S 0.73913 121 7PX 1.99688 122 7PY 1.99715 123 7PZ 1.99728 124 8PX 1.99254 125 8PY 1.99339 126 8PZ 1.99369 127 9PX 0.89170 128 9PY 0.97044 129 9PZ 0.99006 130 10PX 0.69127 131 10PY 0.83802 132 10PZ 0.91986 133 11XX 1.05575 134 11YY 1.05658 135 11ZZ 1.05656 136 11XY 1.99049 137 11XZ 1.99064 138 11YZ 1.99085 139 12XX 0.09816 140 12YY 0.07403 141 12ZZ 0.07025 142 12XY 0.01574 143 12XZ 0.01225 144 12YZ 0.00971 145 8 Br 1S 2.00284 146 2S 2.19060 147 3S 0.73322 148 4S 1.66337 149 5S 1.18684 150 6S 0.73913 151 7PX 1.99688 152 7PY 1.99715 153 7PZ 1.99728 154 8PX 1.99255 155 8PY 1.99339 156 8PZ 1.99369 157 9PX 0.89172 158 9PY 0.97041 159 9PZ 0.99006 160 10PX 0.69130 161 10PY 0.83799 162 10PZ 0.91985 163 11XX 1.05575 164 11YY 1.05658 165 11ZZ 1.05656 166 11XY 1.99049 167 11XZ 1.99064 168 11YZ 1.99085 169 12XX 0.09816 170 12YY 0.07403 171 12ZZ 0.07025 172 12XY 0.01575 173 12XZ 0.01225 174 12YZ 0.00971 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Al 12.256905 -0.401474 0.325510 0.325528 0.389381 -0.016604 2 Al -0.401474 12.256844 0.325537 0.325544 -0.016613 0.389364 3 Cl 0.325510 0.325537 15.871499 -0.197662 -0.026380 -0.026401 4 Cl 0.325528 0.325544 -0.197662 15.871485 -0.026410 -0.026409 5 Cl 0.389381 -0.016613 -0.026380 -0.026410 16.972143 -0.000059 6 Cl -0.016604 0.389364 -0.026401 -0.026409 -0.000059 16.972176 7 Br 0.440447 -0.018438 -0.025906 -0.025898 -0.022671 -0.000221 8 Br -0.018440 0.440443 -0.025903 -0.025889 -0.000221 -0.022658 7 8 1 Al 0.440447 -0.018440 2 Al -0.018438 0.440443 3 Cl -0.025906 -0.025903 4 Cl -0.025898 -0.025889 5 Cl -0.022671 -0.000221 6 Cl -0.000221 -0.022658 7 Br 34.862035 -0.000043 8 Br -0.000043 34.862005 Mulliken charges: 1 1 Al -0.301253 2 Al -0.301208 3 Cl 0.779706 4 Cl 0.779710 5 Cl -0.269171 6 Cl -0.269188 7 Br -0.209305 8 Br -0.209292 Sum of Mulliken charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 Al -0.301253 2 Al -0.301208 3 Cl 0.779706 4 Cl 0.779710 5 Cl -0.269171 6 Cl -0.269188 7 Br -0.209305 8 Br -0.209292 Electronic spatial extent (au): = 4091.5420 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= -0.0003 Y= 0.0006 Z= -0.0005 Tot= 0.0008 Quadrupole moment (field-independent basis, Debye-Ang): XX= -126.1592 YY= -125.2038 ZZ= -101.2242 XY= 4.9906 XZ= -0.0001 YZ= -0.0002 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= -8.6302 YY= -7.6747 ZZ= 16.3049 XY= 4.9906 XZ= -0.0001 YZ= -0.0002 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -0.0005 YYY= -0.0086 ZZZ= -0.0092 XYY= 0.0028 XXY= -0.0037 XXZ= -0.0027 XZZ= 0.0008 YZZ= -0.0001 YYZ= -0.0081 XYZ= 0.0028 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -2702.5135 YYYY= -1482.8561 ZZZZ= -273.4576 XXXY= 130.9361 XXXZ= 0.0090 YYYX= 144.5024 YYYZ= -0.0064 ZZZX= 0.0019 ZZZY= -0.0012 XXYY= -699.1621 XXZZ= -491.4276 YYZZ= -283.8564 XXYZ= 0.0008 YYXZ= 0.0034 ZZXY= 31.9335 N-N= 1.892090713792D+03 E-N=-2.158175575890D+04 KE= 7.437876773133D+03 Orbital energies and kinetic energies (alpha): 1 2 1 O -482.913307 583.734869 2 O -482.913188 583.702613 3 O -101.638892 136.898395 4 O -101.638884 136.898993 5 O -101.538362 136.907008 6 O -101.538358 136.907008 7 O -61.875807 119.411879 8 O -61.874672 119.471936 9 O -56.392255 117.127716 10 O -56.392174 117.130889 11 O -56.390504 117.137352 12 O -56.390437 117.140004 13 O -56.390373 117.143479 14 O -56.390347 117.144406 15 O -56.147554 79.143010 16 O -56.147552 79.142952 17 O -9.611905 21.484453 18 O -9.611887 21.484271 19 O -9.455363 21.545526 20 O -9.455349 21.545951 21 O -8.583989 27.592388 22 O -8.583637 27.601961 23 O -7.366342 20.460171 24 O -7.366327 20.460841 25 O -7.365925 20.453235 26 O -7.365810 20.472078 27 O -7.359964 20.507755 28 O -7.359912 20.516219 29 O -7.215756 20.540894 30 O -7.215750 20.541096 31 O -7.211286 20.550325 32 O -7.211280 20.550760 33 O -7.211156 20.547539 34 O -7.211147 20.548692 35 O -6.532519 26.132360 36 O -6.532510 26.132959 37 O -6.526320 26.145808 38 O -6.526312 26.145910 39 O -6.526188 26.143402 40 O -6.526179 26.143980 41 O -4.298300 10.672618 42 O -4.297135 10.691296 43 O -2.859033 9.603018 44 O -2.855412 9.676992 45 O -2.854470 9.685878 46 O -2.851156 9.727917 47 O -2.834392 9.770848 48 O -2.833695 9.782364 49 O -2.648899 21.388406 50 O -2.648891 21.388406 51 O -2.647174 21.396355 52 O -2.647166 21.396355 53 O -2.647059 21.396184 54 O -2.647051 21.396190 55 O -2.642087 21.402899 56 O -2.642086 21.402982 57 O -2.642079 21.402906 58 O -2.642078 21.402987 59 O -1.184608 3.613721 60 O -1.028537 3.849524 61 O -0.814764 3.002701 62 O -0.809628 3.085344 63 O -0.766144 3.606278 64 O -0.760187 3.771135 65 O -0.675413 2.839094 66 O -0.666613 3.249594 67 O -0.641392 2.341155 68 O -0.613208 3.175532 69 O -0.524911 2.621736 70 O -0.467636 3.317719 71 O -0.415128 2.178182 72 O -0.388170 2.333601 73 O -0.373212 2.268963 74 O -0.350577 2.435718 75 O -0.337328 2.111616 76 O -0.336685 2.158599 77 O -0.329414 2.271954 78 O -0.328436 2.279283 79 O -0.310261 2.308472 80 O -0.304336 2.408415 81 O -0.301366 2.408358 82 O -0.301323 2.426013 83 V -0.057553 2.329636 84 V -0.003240 2.044814 85 V -0.001028 1.490790 86 V -0.000551 1.172419 87 V 0.019964 1.608197 88 V 0.030386 1.588021 89 V 0.043376 0.969975 90 V 0.048253 0.928414 91 V 0.066190 1.307500 92 V 0.071314 2.065357 93 V 0.103955 1.327544 94 V 0.137348 1.060588 95 V 0.144927 1.055761 96 V 0.156688 1.550249 97 V 0.167353 1.509766 98 V 0.199731 1.640649 99 V 0.227248 1.394860 100 V 0.237569 1.992016 101 V 0.239489 1.736403 102 V 0.256050 1.783920 103 V 0.263999 1.687068 104 V 0.276124 1.605133 105 V 0.333306 1.684244 106 V 0.341345 1.707760 107 V 0.351125 1.779847 108 V 0.369413 2.262890 109 V 0.378013 2.125697 110 V 0.400548 2.493642 111 V 0.416749 2.737342 112 V 0.442574 2.342827 113 V 0.449012 2.166934 114 V 0.460361 2.365316 115 V 0.462389 2.417595 116 V 0.466619 2.271498 117 V 0.475064 2.247256 118 V 0.486379 2.658264 119 V 0.493196 2.525275 120 V 0.497788 2.882361 121 V 0.512504 2.598951 122 V 0.524709 2.295557 123 V 0.535843 2.826287 124 V 0.552143 2.740251 125 V 0.557492 2.856074 126 V 0.563845 2.468328 127 V 0.575860 3.231696 128 V 0.608129 3.120688 129 V 0.613065 2.742914 130 V 0.619209 3.337969 131 V 0.660917 3.443990 132 V 0.664089 3.018658 133 V 0.669867 2.877656 134 V 0.698972 2.623642 135 V 0.703435 2.658091 136 V 0.716593 2.809768 137 V 0.729242 2.606743 138 V 0.787864 3.099964 139 V 0.822229 3.249077 140 V 0.848453 2.626630 141 V 0.860536 2.633950 142 V 0.868635 3.005070 143 V 0.876707 2.661433 144 V 0.885167 3.360483 145 V 0.896297 2.716870 146 V 0.905718 2.791862 147 V 0.908814 2.680390 148 V 0.956235 3.116253 149 V 0.970613 2.716337 150 V 0.974755 2.714029 151 V 1.001373 2.949876 152 V 1.044603 2.963788 153 V 1.085443 3.105522 154 V 1.129326 3.138041 155 V 1.130564 2.876468 156 V 1.184915 3.035249 157 V 1.244047 3.042554 158 V 1.315834 3.083272 159 V 1.463854 4.468422 160 V 1.573336 4.566413 161 V 1.629953 5.861094 162 V 1.688478 6.035330 163 V 1.769231 5.655789 164 V 1.780968 5.988269 165 V 1.944462 6.547085 166 V 1.984291 6.175187 167 V 4.143047 14.880288 168 V 4.273598 14.860807 169 V 4.273681 14.856801 170 V 4.319710 14.828870 171 V 8.743577 33.714438 172 V 8.809911 33.907359 173 V 75.586657 346.846226 174 V 76.829105 351.679010 Total kinetic energy from orbitals= 7.437876773133D+03 ******************************Gaussian NBO Version 3.1****************************** N A T U R A L A T O M I C O R B I T A L A N D N A T U R A L B O N D O R B I T A L A N A L Y S I S ******************************Gaussian NBO Version 3.1****************************** /RESON / : Allow strongly delocalized NBO set Analyzing the SCF density Job title: Title Card Required Storage needed: 91788 in NPA, 121720 in NBO ( 805305968 available) NATURAL POPULATIONS: Natural atomic orbital occupancies NAO Atom No lang Type(AO) Occupancy Energy ---------------------------------------------------------- 1 Al 1 S Cor( 1S) 2.00000 -55.47637 2 Al 1 S Cor( 2S) 1.99495 -4.82726 3 Al 1 S Val( 3S) 0.55673 -0.14902 4 Al 1 S Ryd( 4S) 0.00170 0.73092 5 Al 1 S Ryd( 5S) 0.00020 1.88554 6 Al 1 px Cor( 2p) 1.99828 -2.82844 7 Al 1 px Val( 3p) 0.43239 -0.05263 8 Al 1 px Ryd( 4p) 0.00422 0.23063 9 Al 1 py Cor( 2p) 1.99924 -2.82652 10 Al 1 py Val( 3p) 0.46352 -0.05110 11 Al 1 py Ryd( 4p) 0.00519 0.17388 12 Al 1 pz Cor( 2p) 1.99914 -2.82690 13 Al 1 pz Val( 3p) 0.37192 -0.05025 14 Al 1 pz Ryd( 4p) 0.00512 0.23003 15 Al 1 dxy Ryd( 3d) 0.02847 0.69747 16 Al 1 dxz Ryd( 3d) 0.00835 0.90835 17 Al 1 dyz Ryd( 3d) 0.01463 0.57835 18 Al 1 dx2y2 Ryd( 3d) 0.03005 0.62331 19 Al 1 dz2 Ryd( 3d) 0.01427 0.59238 20 Al 2 S Cor( 1S) 2.00000 -55.47638 21 Al 2 S Cor( 2S) 1.99495 -4.82726 22 Al 2 S Val( 3S) 0.55673 -0.14901 23 Al 2 S Ryd( 4S) 0.00170 0.73105 24 Al 2 S Ryd( 5S) 0.00020 1.88554 25 Al 2 px Cor( 2p) 1.99828 -2.82844 26 Al 2 px Val( 3p) 0.43238 -0.05262 27 Al 2 px Ryd( 4p) 0.00422 0.23065 28 Al 2 py Cor( 2p) 1.99924 -2.82652 29 Al 2 py Val( 3p) 0.46353 -0.05112 30 Al 2 py Ryd( 4p) 0.00519 0.17385 31 Al 2 pz Cor( 2p) 1.99914 -2.82690 32 Al 2 pz Val( 3p) 0.37192 -0.05025 33 Al 2 pz Ryd( 4p) 0.00512 0.23003 34 Al 2 dxy Ryd( 3d) 0.02848 0.69738 35 Al 2 dxz Ryd( 3d) 0.00835 0.90848 36 Al 2 dyz Ryd( 3d) 0.01463 0.57823 37 Al 2 dx2y2 Ryd( 3d) 0.03005 0.62339 38 Al 2 dz2 Ryd( 3d) 0.01427 0.59238 39 Cl 3 S Cor( 1S) 2.00000 -100.15367 40 Cl 3 S Cor( 2S) 1.99914 -10.35401 41 Cl 3 S Val( 3S) 1.64152 -1.43340 42 Cl 3 S Ryd( 4S) 0.00091 1.08151 43 Cl 3 S Ryd( 5S) 0.00006 4.09011 44 Cl 3 px Cor( 2p) 1.99969 -7.34143 45 Cl 3 px Val( 3p) 1.74102 -0.56999 46 Cl 3 px Ryd( 4p) 0.00087 0.63491 47 Cl 3 py Cor( 2p) 1.99974 -7.33956 48 Cl 3 py Val( 3p) 1.78190 -0.53346 49 Cl 3 py Ryd( 4p) 0.00140 0.52349 50 Cl 3 pz Cor( 2p) 1.99947 -7.34268 51 Cl 3 pz Val( 3p) 1.88547 -0.61349 52 Cl 3 pz Ryd( 4p) 0.00324 0.55003 53 Cl 3 dxy Ryd( 3d) 0.00480 0.75443 54 Cl 3 dxz Ryd( 3d) 0.02022 0.82432 55 Cl 3 dyz Ryd( 3d) 0.01773 0.78846 56 Cl 3 dx2y2 Ryd( 3d) 0.00387 0.78430 57 Cl 3 dz2 Ryd( 3d) 0.02400 0.79603 58 Cl 4 S Cor( 1S) 2.00000 -100.15367 59 Cl 4 S Cor( 2S) 1.99914 -10.35400 60 Cl 4 S Val( 3S) 1.64153 -1.43339 61 Cl 4 S Ryd( 4S) 0.00091 1.08148 62 Cl 4 S Ryd( 5S) 0.00006 4.09013 63 Cl 4 px Cor( 2p) 1.99969 -7.34142 64 Cl 4 px Val( 3p) 1.74101 -0.56998 65 Cl 4 px Ryd( 4p) 0.00087 0.63493 66 Cl 4 py Cor( 2p) 1.99974 -7.33955 67 Cl 4 py Val( 3p) 1.78191 -0.53344 68 Cl 4 py Ryd( 4p) 0.00140 0.52349 69 Cl 4 pz Cor( 2p) 1.99947 -7.34267 70 Cl 4 pz Val( 3p) 1.88547 -0.61348 71 Cl 4 pz Ryd( 4p) 0.00324 0.54999 72 Cl 4 dxy Ryd( 3d) 0.00480 0.75445 73 Cl 4 dxz Ryd( 3d) 0.02022 0.82434 74 Cl 4 dyz Ryd( 3d) 0.01773 0.78847 75 Cl 4 dx2y2 Ryd( 3d) 0.00387 0.78430 76 Cl 4 dz2 Ryd( 3d) 0.02400 0.79604 77 Cl 5 S Cor( 1S) 2.00000 -100.58452 78 Cl 5 S Cor( 2S) 1.99987 -10.15934 79 Cl 5 S Val( 3S) 1.91803 -0.99556 80 Cl 5 S Ryd( 4S) 0.00036 0.72422 81 Cl 5 S Ryd( 5S) 0.00001 4.25054 82 Cl 5 px Cor( 2p) 1.99999 -7.20744 83 Cl 5 px Val( 3p) 1.94276 -0.32421 84 Cl 5 px Ryd( 4p) 0.00031 0.60262 85 Cl 5 py Cor( 2p) 1.99996 -7.21132 86 Cl 5 py Val( 3p) 1.68578 -0.33006 87 Cl 5 py Ryd( 4p) 0.00106 0.51836 88 Cl 5 pz Cor( 2p) 1.99999 -7.20749 89 Cl 5 pz Val( 3p) 1.94844 -0.32621 90 Cl 5 pz Ryd( 4p) 0.00033 0.51799 91 Cl 5 dxy Ryd( 3d) 0.00112 0.90572 92 Cl 5 dxz Ryd( 3d) 0.00005 0.87335 93 Cl 5 dyz Ryd( 3d) 0.00089 0.89344 94 Cl 5 dx2y2 Ryd( 3d) 0.00193 0.99978 95 Cl 5 dz2 Ryd( 3d) 0.00066 0.91756 96 Cl 6 S Cor( 1S) 2.00000 -100.58454 97 Cl 6 S Cor( 2S) 1.99987 -10.15932 98 Cl 6 S Val( 3S) 1.91803 -0.99556 99 Cl 6 S Ryd( 4S) 0.00036 0.72426 100 Cl 6 S Ryd( 5S) 0.00001 4.25053 101 Cl 6 px Cor( 2p) 1.99999 -7.20745 102 Cl 6 px Val( 3p) 1.94277 -0.32421 103 Cl 6 px Ryd( 4p) 0.00031 0.60261 104 Cl 6 py Cor( 2p) 1.99996 -7.21133 105 Cl 6 py Val( 3p) 1.68578 -0.33006 106 Cl 6 py Ryd( 4p) 0.00106 0.51835 107 Cl 6 pz Cor( 2p) 1.99999 -7.20749 108 Cl 6 pz Val( 3p) 1.94845 -0.32622 109 Cl 6 pz Ryd( 4p) 0.00033 0.51798 110 Cl 6 dxy Ryd( 3d) 0.00112 0.90572 111 Cl 6 dxz Ryd( 3d) 0.00005 0.87335 112 Cl 6 dyz Ryd( 3d) 0.00089 0.89344 113 Cl 6 dx2y2 Ryd( 3d) 0.00193 0.99978 114 Cl 6 dz2 Ryd( 3d) 0.00066 0.91756 115 Br 7 S Cor( 1S) 2.00000 -476.55438 116 Br 7 S Cor( 2S) 1.99995 -58.01530 117 Br 7 S Cor( 3S) 1.99980 -18.50307 118 Br 7 S Val( 4S) 1.92473 -0.99950 119 Br 7 S Ryd( 5S) 0.00046 5.44107 120 Br 7 S Ryd( 6S) 0.00014 15.60319 121 Br 7 S Ryd( 8S) 0.00000 40.90797 122 Br 7 S Ryd( 7S) 0.00000 24.50896 123 Br 7 px Cor( 2p) 1.99999 -54.72193 124 Br 7 px Cor( 3p) 1.99994 -8.19513 125 Br 7 px Val( 4p) 1.69999 -0.30419 126 Br 7 px Ryd( 5p) 0.00065 0.82340 127 Br 7 py Cor( 2p) 1.99999 -54.72075 128 Br 7 py Cor( 3p) 1.99998 -8.19208 129 Br 7 py Val( 4p) 1.86948 -0.30049 130 Br 7 py Ryd( 5p) 0.00024 0.64171 131 Br 7 pz Cor( 2p) 2.00000 -54.72033 132 Br 7 pz Cor( 3p) 1.99999 -8.19122 133 Br 7 pz Val( 4p) 1.94265 -0.30324 134 Br 7 pz Ryd( 5p) 0.00018 0.56269 135 Br 7 dxy Cor( 3d) 1.99995 -2.64701 136 Br 7 dxy Ryd( 4d) 0.00222 0.64825 137 Br 7 dxz Cor( 3d) 1.99999 -2.64612 138 Br 7 dxz Ryd( 4d) 0.00176 0.52309 139 Br 7 dyz Cor( 3d) 2.00000 -2.64310 140 Br 7 dyz Ryd( 4d) 0.00032 0.48461 141 Br 7 dx2y2 Cor( 3d) 1.99997 -2.64702 142 Br 7 dx2y2 Ryd( 4d) 0.00202 0.58903 143 Br 7 dz2 Cor( 3d) 1.99998 -2.64379 144 Br 7 dz2 Ryd( 4d) 0.00067 0.54720 145 Br 8 S Cor( 1S) 2.00000 -476.55438 146 Br 8 S Cor( 2S) 1.99995 -58.01565 147 Br 8 S Cor( 3S) 1.99980 -18.50275 148 Br 8 S Val( 4S) 1.92473 -0.99950 149 Br 8 S Ryd( 5S) 0.00046 5.44260 150 Br 8 S Ryd( 6S) 0.00014 15.60277 151 Br 8 S Ryd( 8S) 0.00000 40.90635 152 Br 8 S Ryd( 7S) 0.00000 24.50945 153 Br 8 px Cor( 2p) 1.99999 -54.72172 154 Br 8 px Cor( 3p) 1.99994 -8.19536 155 Br 8 px Val( 4p) 1.70004 -0.30420 156 Br 8 px Ryd( 5p) 0.00065 0.82338 157 Br 8 py Cor( 2p) 1.99999 -54.72054 158 Br 8 py Cor( 3p) 1.99998 -8.19231 159 Br 8 py Val( 4p) 1.86942 -0.30049 160 Br 8 py Ryd( 5p) 0.00024 0.64174 161 Br 8 pz Cor( 2p) 2.00000 -54.72012 162 Br 8 pz Cor( 3p) 1.99999 -8.19145 163 Br 8 pz Val( 4p) 1.94265 -0.30325 164 Br 8 pz Ryd( 5p) 0.00018 0.56269 165 Br 8 dxy Cor( 3d) 1.99995 -2.64702 166 Br 8 dxy Ryd( 4d) 0.00222 0.64829 167 Br 8 dxz Cor( 3d) 1.99999 -2.64613 168 Br 8 dxz Ryd( 4d) 0.00176 0.52308 169 Br 8 dyz Cor( 3d) 2.00000 -2.64310 170 Br 8 dyz Ryd( 4d) 0.00032 0.48461 171 Br 8 dx2y2 Cor( 3d) 1.99997 -2.64703 172 Br 8 dx2y2 Ryd( 4d) 0.00202 0.58898 173 Br 8 dz2 Cor( 3d) 1.99998 -2.64380 174 Br 8 dz2 Ryd( 4d) 0.00067 0.54720 WARNING: 2 low occupancy (<1.9990e) core orbitals found on Al 1 2 low occupancy (<1.9990e) core orbitals found on Al 2 WARNING: Population inversion found on atom Br 7 Population inversion found on atom Br 8 Summary of Natural Population Analysis: Natural Population Natural ----------------------------------------------- Atom No Charge Core Valence Rydberg Total ----------------------------------------------------------------------- Al 1 1.07162 9.99160 1.82456 0.11221 11.92838 Al 2 1.07162 9.99160 1.82456 0.11221 11.92838 Cl 3 -0.12504 9.99803 7.04991 0.07710 17.12504 Cl 4 -0.12504 9.99803 7.04992 0.07710 17.12504 Cl 5 -0.50155 9.99982 7.49501 0.00672 17.50155 Cl 6 -0.50156 9.99982 7.49502 0.00672 17.50156 Br 7 -0.44503 27.99951 7.43685 0.00867 35.44503 Br 8 -0.44502 27.99951 7.43684 0.00867 35.44502 ======================================================================= * Total * 0.00000 115.97791 47.61268 0.40941 164.00000 Natural Population -------------------------------------------------------- Core 115.97791 ( 99.9810% of 116) Valence 47.61268 ( 99.1931% of 48) Natural Minimal Basis 163.59059 ( 99.7504% of 164) Natural Rydberg Basis 0.40941 ( 0.2496% of 164) -------------------------------------------------------- Atom No Natural Electron Configuration ---------------------------------------------------------------------------- Al 1 [core]3S( 0.56)3p( 1.27)3d( 0.10)4p( 0.01) Al 2 [core]3S( 0.56)3p( 1.27)3d( 0.10)4p( 0.01) Cl 3 [core]3S( 1.64)3p( 5.41)3d( 0.07)4p( 0.01) Cl 4 [core]3S( 1.64)3p( 5.41)3d( 0.07)4p( 0.01) Cl 5 [core]3S( 1.92)3p( 5.58) Cl 6 [core]3S( 1.92)3p( 5.58) Br 7 [core]4S( 1.92)4p( 5.51)4d( 0.01) Br 8 [core]4S( 1.92)4p( 5.51)4d( 0.01) NATURAL BOND ORBITAL ANALYSIS: Occupancies Lewis Structure Low High Occ. ------------------- ----------------- occ occ Cycle Thresh. Lewis Non-Lewis CR BD 3C LP (L) (NL) Dev ============================================================================= 1(1) 1.90 162.71433 1.28567 58 10 0 14 2 2 0.11 2(2) 1.90 162.71433 1.28567 58 10 0 14 2 2 0.11 3(1) 1.80 162.80356 1.19644 58 8 0 16 0 6 0.11 4(2) 1.80 162.80356 1.19644 58 8 0 16 0 6 0.11 5(1) 1.70 162.08817 1.91183 58 6 0 18 0 8 0.68 6(2) 1.70 162.08817 1.91183 58 6 0 18 0 8 0.68 7(1) 1.60 160.93141 3.06859 58 2 0 22 0 8 0.73 8(2) 1.60 160.93141 3.06859 58 2 0 22 0 8 0.73 9(1) 1.50 160.07480 3.92520 58 0 0 24 0 8 0.79 10(2) 1.50 160.07480 3.92520 58 0 0 24 0 8 0.79 11(1) 1.80 162.80356 1.19644 58 8 0 16 0 6 0.11 ----------------------------------------------------------------------------- Structure accepted: RESONANCE keyword permits strongly delocalized structure WARNING: 2 low occupancy (<1.9990e) core orbitals found on Al 1 2 low occupancy (<1.9990e) core orbitals found on Al 2 -------------------------------------------------------- Core 115.97824 ( 99.981% of 116) Valence Lewis 46.82532 ( 97.553% of 48) ================== ============================ Total Lewis 162.80356 ( 99.270% of 164) ----------------------------------------------------- Valence non-Lewis 0.89213 ( 0.544% of 164) Rydberg non-Lewis 0.30431 ( 0.186% of 164) ================== ============================ Total non-Lewis 1.19644 ( 0.730% of 164) -------------------------------------------------------- (Occupancy) Bond orbital/ Coefficients/ Hybrids --------------------------------------------------------------------------------- 1. (1.96948) BD ( 1)Al 1 -Cl 3 ( 15.54%) 0.3942*Al 1 s( 28.55%)p 2.45( 69.81%)d 0.06( 1.65%) -0.0001 -0.0005 0.5342 -0.0015 0.0092 -0.0006 -0.3993 -0.0248 0.0003 0.2096 0.0120 -0.0006 -0.7024 0.0240 -0.0731 0.0687 -0.0360 0.0522 0.0488 ( 84.46%) 0.9190*Cl 3 s( 44.62%)p 1.22( 54.60%)d 0.02( 0.78%) 0.0000 -0.0006 0.6680 -0.0047 0.0005 0.0001 0.6277 -0.0120 0.0000 -0.3163 0.0062 0.0000 0.2274 -0.0083 -0.0285 0.0678 -0.0342 0.0204 0.0276 2. (1.96947) BD ( 1)Al 1 -Cl 4 ( 15.54%) 0.3942*Al 1 s( 28.54%)p 2.45( 69.81%)d 0.06( 1.65%) -0.0001 -0.0005 0.5342 -0.0015 0.0092 -0.0006 -0.3992 -0.0248 0.0003 0.2096 0.0120 0.0006 0.7025 -0.0240 -0.0732 -0.0687 0.0360 0.0522 0.0489 ( 84.46%) 0.9190*Cl 4 s( 44.62%)p 1.22( 54.61%)d 0.02( 0.78%) 0.0000 -0.0006 0.6679 -0.0047 0.0005 0.0001 0.6278 -0.0120 0.0000 -0.3161 0.0062 0.0000 -0.2276 0.0084 -0.0284 -0.0679 0.0342 0.0204 0.0276 3. (1.97892) BD ( 1)Al 1 -Cl 5 ( 19.97%) 0.4469*Al 1 s( 21.46%)p 3.57( 76.68%)d 0.09( 1.86%) 0.0000 -0.0012 0.4632 -0.0049 -0.0077 0.0006 0.1440 -0.0093 -0.0001 -0.8632 0.0306 0.0000 0.0000 0.0000 0.0063 0.0000 -0.0001 -0.1263 -0.0509 ( 80.03%) 0.8946*Cl 5 s( 19.86%)p 4.03( 79.98%)d 0.01( 0.16%) 0.0000 0.0000 0.4456 0.0003 -0.0018 0.0000 -0.1110 0.0035 0.0000 0.8871 -0.0231 0.0000 -0.0003 0.0000 -0.0113 0.0000 0.0000 -0.0327 -0.0196 4. (1.97439) BD ( 1)Al 1 -Br 7 ( 22.29%) 0.4721*Al 1 s( 21.18%)p 3.64( 77.13%)d 0.08( 1.69%) 0.0000 0.0014 -0.4602 -0.0063 0.0038 -0.0005 -0.7923 0.0248 0.0004 -0.3780 0.0109 0.0000 0.0000 0.0000 -0.1193 0.0000 0.0000 -0.0298 0.0416 ( 77.71%) 0.8815*Br 7 s( 16.14%)p 5.18( 83.68%)d 0.01( 0.18%) 0.0000 0.0000 0.0000 -0.4017 -0.0049 0.0056 0.0006 0.0002 0.0000 -0.0001 0.8024 0.0169 0.0000 0.0000 0.4388 0.0088 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0286 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0232 0.0000 0.0200 5. (1.96947) BD ( 1)Al 2 -Cl 3 ( 15.54%) 0.3942*Al 2 s( 28.54%)p 2.45( 69.81%)d 0.06( 1.65%) -0.0001 -0.0005 0.5342 -0.0015 0.0092 0.0006 0.3993 0.0248 -0.0003 -0.2095 -0.0120 -0.0006 -0.7025 0.0240 -0.0731 -0.0687 0.0360 0.0522 0.0489 ( 84.46%) 0.9190*Cl 3 s( 44.62%)p 1.22( 54.61%)d 0.02( 0.78%) 0.0000 -0.0006 0.6679 -0.0047 0.0005 -0.0001 -0.6278 0.0120 0.0000 0.3161 -0.0062 0.0000 0.2276 -0.0084 -0.0284 -0.0679 0.0342 0.0205 0.0276 6. (1.96948) BD ( 1)Al 2 -Cl 4 ( 15.54%) 0.3942*Al 2 s( 28.55%)p 2.45( 69.81%)d 0.06( 1.65%) -0.0001 -0.0005 0.5342 -0.0015 0.0092 0.0006 0.3993 0.0248 -0.0003 -0.2096 -0.0120 0.0006 0.7024 -0.0240 -0.0732 0.0687 -0.0360 0.0522 0.0488 ( 84.46%) 0.9190*Cl 4 s( 44.62%)p 1.22( 54.60%)d 0.02( 0.78%) 0.0000 -0.0006 0.6680 -0.0047 0.0005 -0.0001 -0.6279 0.0120 0.0000 0.3160 -0.0062 0.0000 -0.2274 0.0083 -0.0285 0.0679 -0.0342 0.0205 0.0276 7. (1.97891) BD ( 1)Al 2 -Cl 6 ( 19.97%) 0.4469*Al 2 s( 21.46%)p 3.57( 76.68%)d 0.09( 1.86%) 0.0000 0.0012 -0.4632 0.0049 0.0077 0.0006 0.1441 -0.0093 -0.0001 -0.8631 0.0306 0.0000 -0.0001 0.0000 -0.0063 0.0000 0.0000 0.1263 0.0509 ( 80.03%) 0.8946*Cl 6 s( 19.86%)p 4.03( 79.98%)d 0.01( 0.16%) 0.0000 0.0000 -0.4456 -0.0003 0.0018 0.0000 -0.1110 0.0035 0.0000 0.8871 -0.0231 0.0000 0.0001 0.0000 0.0113 0.0000 0.0000 0.0327 0.0196 8. (1.97440) BD ( 1)Al 2 -Br 8 ( 22.29%) 0.4721*Al 2 s( 21.18%)p 3.64( 77.13%)d 0.08( 1.69%) 0.0000 -0.0014 0.4602 0.0063 -0.0038 -0.0005 -0.7922 0.0248 0.0004 -0.3781 0.0109 0.0000 -0.0001 0.0000 0.1193 0.0000 0.0000 0.0298 -0.0416 ( 77.71%) 0.8815*Br 8 s( 16.14%)p 5.18( 83.68%)d 0.01( 0.18%) 0.0000 0.0000 0.0000 0.4017 0.0049 -0.0056 -0.0006 -0.0002 0.0000 -0.0001 0.8023 0.0169 0.0000 0.0000 0.4390 0.0088 0.0000 0.0000 0.0002 0.0000 0.0000 0.0287 0.0000 0.0000 0.0000 0.0000 0.0000 0.0232 0.0000 -0.0200 9. (2.00000) CR ( 1)Al 1 s(100.00%) 1.0000 0.0000 0.0001 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 10. (1.99507) CR ( 2)Al 1 s(100.00%)p 0.00( 0.00%)d 0.00( 0.00%) 0.0000 1.0000 0.0017 0.0000 0.0000 0.0000 0.0009 -0.0001 0.0000 -0.0003 0.0000 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 -0.0001 -0.0001 11. (1.99830) CR ( 3)Al 1 s( 0.00%)p 1.00(100.00%)d 0.00( 0.00%) 0.0000 0.0000 0.0001 0.0000 0.0000 1.0000 -0.0009 0.0000 0.0000 0.0005 0.0000 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0001 0.0001 12. (1.99926) CR ( 4)Al 1 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0006 0.0000 1.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 -0.0001 13. (1.99916) CR ( 5)Al 1 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 -0.0008 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 14. (2.00000) CR ( 1)Al 2 s(100.00%) 1.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 15. (1.99507) CR ( 2)Al 2 s(100.00%)p 0.00( 0.00%)d 0.00( 0.00%) 0.0000 1.0000 0.0017 0.0000 0.0000 0.0000 -0.0009 0.0001 0.0000 0.0003 0.0000 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 -0.0001 -0.0001 16. (1.99830) CR ( 3)Al 2 s( 0.00%)p 1.00(100.00%)d 0.00( 0.00%) 0.0000 0.0000 0.0001 0.0000 0.0000 -1.0000 0.0009 0.0000 0.0000 -0.0005 0.0000 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0001 0.0001 17. (1.99926) CR ( 4)Al 2 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0006 0.0000 1.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0001 18. (1.99916) CR ( 5)Al 2 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 -0.0008 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 19. (2.00000) CR ( 1)Cl 3 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 20. (1.99913) CR ( 2)Cl 3 s(100.00%)p 0.00( 0.00%) 0.0000 1.0000 0.0006 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0007 0.0000 0.0000 0.0000 0.0000 0.0000 0.0001 21. (1.99969) CR ( 3)Cl 3 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 -0.0003 0.0000 0.0000 -0.0004 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 22. (1.99973) CR ( 4)Cl 3 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0003 0.0000 1.0000 -0.0008 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 23. (1.99947) CR ( 5)Cl 3 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 -0.0005 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 24. (2.00000) CR ( 1)Cl 4 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 25. (1.99913) CR ( 2)Cl 4 s(100.00%)p 0.00( 0.00%) 0.0000 1.0000 0.0006 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0007 0.0000 0.0000 0.0000 0.0000 0.0000 0.0001 26. (1.99969) CR ( 3)Cl 4 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 -0.0003 0.0000 0.0000 -0.0004 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 27. (1.99973) CR ( 4)Cl 4 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0003 0.0000 1.0000 -0.0008 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 28. (1.99947) CR ( 5)Cl 4 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -1.0000 0.0005 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 29. (2.00000) CR ( 1)Cl 5 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 30. (1.99987) CR ( 2)Cl 5 s(100.00%) 0.0000 1.0000 0.0001 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 31. (1.99999) CR ( 3)Cl 5 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 32. (1.99996) CR ( 4)Cl 5 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 33. (1.99999) CR ( 5)Cl 5 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 34. (2.00000) CR ( 1)Cl 6 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 35. (1.99987) CR ( 2)Cl 6 s(100.00%) 0.0000 1.0000 0.0001 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 36. (1.99999) CR ( 3)Cl 6 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 37. (1.99996) CR ( 4)Cl 6 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 38. (1.99999) CR ( 5)Cl 6 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 39. (2.00000) CR ( 1)Br 7 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 40. (1.99995) CR ( 2)Br 7 s(100.00%) 0.0000 1.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 41. (1.99980) CR ( 3)Br 7 s(100.00%)p 0.00( 0.00%) 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 42. (1.99999) CR ( 4)Br 7 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 43. (1.99994) CR ( 5)Br 7 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 44. (1.99999) CR ( 6)Br 7 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 45. (1.99998) CR ( 7)Br 7 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 46. (2.00000) CR ( 8)Br 7 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 47. (1.99999) CR ( 9)Br 7 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 48. (1.99995) CR (10)Br 7 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 49. (1.99999) CR (11)Br 7 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0002 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 50. (2.00000) CR (12)Br 7 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 51. (1.99997) CR (13)Br 7 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 52. (1.99998) CR (14)Br 7 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 53. (2.00000) CR ( 1)Br 8 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 54. (1.99995) CR ( 2)Br 8 s(100.00%) 0.0000 1.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 55. (1.99980) CR ( 3)Br 8 s(100.00%)p 0.00( 0.00%) 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 56. (1.99999) CR ( 4)Br 8 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 57. (1.99994) CR ( 5)Br 8 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 58. (1.99999) CR ( 6)Br 8 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 59. (1.99998) CR ( 7)Br 8 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 60. (2.00000) CR ( 8)Br 8 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 61. (1.99999) CR ( 9)Br 8 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 62. (1.99995) CR (10)Br 8 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 63. (1.99999) CR (11)Br 8 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0002 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 64. (2.00000) CR (12)Br 8 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 65. (1.99997) CR (13)Br 8 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 -0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 66. (1.99998) CR (14)Br 8 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 67. (1.93480) LP ( 1)Cl 3 s( 10.54%)p 8.44( 88.93%)d 0.05( 0.53%) 0.0000 0.0005 0.3244 0.0142 -0.0015 0.0000 -0.0001 0.0000 0.0000 0.0001 0.0000 -0.0006 -0.9430 -0.0107 0.0041 0.0000 0.0000 -0.0031 -0.0723 68. (1.81037) LP ( 2)Cl 3 s( 0.00%)p 1.00( 99.21%)d 0.01( 0.79%) 0.0000 0.0000 0.0001 0.0000 0.0000 0.0005 0.4480 0.0049 0.0009 0.8895 0.0095 0.0000 0.0001 0.0000 0.0000 0.0400 0.0796 0.0000 0.0000 69. (1.93480) LP ( 1)Cl 4 s( 10.54%)p 8.44( 88.93%)d 0.05( 0.53%) 0.0000 0.0005 0.3244 0.0142 -0.0015 0.0000 0.0001 0.0000 0.0000 -0.0001 0.0000 0.0006 0.9430 0.0107 0.0041 0.0000 0.0000 -0.0031 -0.0723 70. (1.81037) LP ( 2)Cl 4 s( 0.00%)p 1.00( 99.21%)d 0.01( 0.79%) 0.0000 0.0000 0.0001 0.0000 0.0000 0.0005 0.4479 0.0049 0.0009 0.8896 0.0095 0.0000 0.0000 0.0000 0.0000 -0.0400 -0.0796 0.0000 0.0000 71. (1.99470) LP ( 1)Cl 5 s( 80.13%)p 0.25( 19.86%)d 0.00( 0.01%) 0.0000 -0.0001 0.8951 -0.0004 0.0007 0.0000 0.0510 -0.0015 -0.0001 -0.4427 0.0074 0.0000 0.0000 0.0000 0.0021 0.0000 0.0000 0.0067 0.0044 72. (1.94956) LP ( 2)Cl 5 s( 0.00%)p 1.00( 99.96%)d 0.00( 0.04%) 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 -0.0043 0.0000 0.0000 -0.0003 0.0000 0.0000 0.9997 0.0113 -0.0001 -0.0045 0.0206 0.0000 0.0000 73. (1.94800) LP ( 3)Cl 5 s( 0.00%)p 1.00( 99.95%)d 0.00( 0.05%) 0.0000 0.0001 -0.0039 0.0047 -0.0005 0.0000 -0.9922 -0.0085 0.0000 -0.1221 -0.0001 0.0000 -0.0043 0.0000 -0.0200 0.0000 -0.0001 0.0079 -0.0012 74. (1.99470) LP ( 1)Cl 6 s( 80.13%)p 0.25( 19.86%)d 0.00( 0.01%) 0.0000 -0.0001 0.8951 -0.0004 0.0007 0.0000 -0.0510 0.0015 0.0001 0.4427 -0.0074 0.0000 0.0000 0.0000 0.0021 0.0000 0.0000 0.0067 0.0044 75. (1.94957) LP ( 2)Cl 6 s( 0.00%)p 1.00( 99.96%)d 0.00( 0.04%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0025 0.0000 0.0000 0.0002 0.0000 0.0000 0.9997 0.0113 -0.0001 0.0045 -0.0206 0.0000 0.0000 76. (1.94800) LP ( 3)Cl 6 s( 0.00%)p 1.00( 99.95%)d 0.00( 0.05%) 0.0000 0.0001 -0.0038 0.0047 -0.0005 0.0000 0.9922 0.0085 0.0000 0.1221 0.0001 0.0000 -0.0025 0.0000 -0.0200 0.0000 0.0001 0.0079 -0.0012 77. (1.99468) LP ( 1)Br 7 s( 83.84%)p 0.19( 16.15%)d 0.00( 0.00%) 0.0000 -0.0001 0.0001 0.9157 -0.0018 0.0018 0.0002 0.0001 0.0000 -0.0001 0.3532 0.0041 0.0000 -0.0001 0.1917 0.0016 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0031 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0019 0.0000 0.0028 78. (1.94483) LP ( 2)Br 7 s( 0.00%)p 1.00( 99.90%)d 0.00( 0.10%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0024 0.0000 0.0000 0.0000 -0.0044 0.0000 0.0001 0.0000 0.9994 -0.0087 0.0000 0.0001 0.0002 -0.0299 0.0001 -0.0123 0.0000 -0.0001 0.0000 0.0000 79. (1.94346) LP ( 3)Br 7 s( 0.01%)p 1.00( 99.90%)d 0.00( 0.10%) 0.0000 0.0000 -0.0001 0.0012 0.0071 0.0007 0.0002 0.0000 0.0000 0.0000 -0.4791 0.0042 0.0001 0.0000 0.8771 -0.0049 0.0000 0.0000 0.0050 0.0000 0.0001 -0.0210 0.0000 -0.0002 0.0000 -0.0001 -0.0002 0.0233 0.0000 -0.0022 80. (1.99468) LP ( 1)Br 8 s( 83.85%)p 0.19( 16.15%)d 0.00( 0.00%) 0.0000 -0.0001 0.0001 0.9157 -0.0018 0.0018 0.0002 0.0001 0.0000 0.0001 -0.3532 -0.0041 0.0000 0.0001 -0.1917 -0.0016 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0031 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0019 0.0000 0.0028 81. (1.94483) LP ( 2)Br 8 s( 0.00%)p 1.00( 99.90%)d 0.00( 0.10%) 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0013 0.0000 0.0000 0.0000 0.0020 0.0000 0.0001 0.0000 0.9994 -0.0087 0.0000 0.0000 -0.0002 0.0299 -0.0001 0.0123 0.0000 -0.0001 0.0000 0.0000 82. (1.94346) LP ( 3)Br 8 s( 0.01%)p 1.00( 99.90%)d 0.00( 0.10%) 0.0000 0.0000 -0.0001 0.0012 0.0071 0.0007 0.0002 0.0000 0.0000 0.0000 0.4793 -0.0042 -0.0001 0.0000 -0.8770 0.0049 0.0000 0.0000 0.0024 0.0000 0.0001 -0.0210 0.0000 0.0001 0.0000 0.0000 -0.0002 0.0233 0.0000 -0.0022 83. (0.04492) RY*( 1)Al 1 s( 0.01%)p99.99( 2.67%)d99.99( 97.31%) 0.0000 0.0000 0.0035 0.0083 0.0057 0.0000 -0.0560 0.0616 0.0000 -0.1209 0.0720 0.0000 0.0000 0.0000 0.5657 0.0000 0.0001 0.8079 0.0201 84. (0.02891) RY*( 2)Al 1 s( 2.10%)p 2.92( 6.13%)d43.71( 91.77%) 0.0000 0.0000 0.0078 0.1417 -0.0292 0.0000 -0.1068 -0.1818 0.0000 0.0523 0.1186 0.0000 0.0000 0.0001 0.7282 0.0001 -0.0002 -0.5161 0.3480 85. (0.01680) RY*( 3)Al 1 s( 0.00%)p 1.00( 1.86%)d52.78( 98.14%) 0.0000 0.0000 0.0000 0.0001 -0.0001 0.0000 -0.0002 -0.0002 0.0000 0.0001 0.0002 0.0000 -0.0132 -0.1357 0.0003 -0.5275 -0.8385 -0.0001 -0.0012 86. (0.01606) RY*( 4)Al 1 s( 2.82%)p 2.18( 6.16%)d32.25( 91.01%) 0.0000 0.0000 0.0061 0.1600 -0.0509 0.0000 -0.1165 -0.1632 0.0000 0.0651 0.1310 0.0000 0.0000 0.0002 0.2259 0.0007 0.0011 -0.1343 -0.9171 87. (0.01338) RY*( 5)Al 1 s( 0.00%)p 1.00( 43.21%)d 1.31( 56.79%) 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.1037 0.6491 -0.0002 0.5852 -0.4749 0.0002 -0.0001 88. (0.00402) RY*( 6)Al 1 s( 0.57%)p99.99( 97.98%)d 2.58( 1.46%) 0.0000 0.0000 -0.0058 0.0726 0.0185 0.0000 0.0327 0.3923 0.0000 0.0308 0.9077 0.0000 0.0000 -0.0001 -0.1061 0.0001 0.0001 -0.0318 0.0480 89. (0.00126) RY*( 7)Al 1 s( 41.28%)p 1.15( 47.45%)d 0.27( 11.26%) 0.0000 0.0000 -0.0410 0.6193 0.1660 0.0000 0.0579 -0.6553 0.0000 -0.0408 0.2002 0.0000 0.0000 0.0000 -0.2376 0.0000 -0.0001 0.1853 0.1479 90. (0.00045) RY*( 8)Al 1 s( 0.00%)p 1.00( 56.13%)d 0.78( 43.86%) 0.0000 0.0000 0.0001 0.0024 0.0006 0.0000 0.0000 0.0020 0.0000 0.0000 -0.0009 0.0000 -0.0474 0.7477 0.0001 -0.6081 0.2623 -0.0002 0.0000 91. (0.00039) RY*( 9)Al 1 s( 54.65%)p 0.82( 44.97%)d 0.01( 0.38%) 0.0000 0.0000 0.0335 0.7240 0.1456 0.0000 -0.0146 0.5926 0.0000 0.0010 -0.3134 0.0000 0.0002 -0.0025 0.0332 0.0020 -0.0009 -0.0496 -0.0145 92. (0.00012) RY*(10)Al 1 s( 98.83%)p 0.00( 0.01%)d 0.01( 1.16%) 0.0000 0.0000 -0.0020 -0.2028 0.9732 0.0000 -0.0054 0.0016 0.0000 0.0026 0.0054 0.0000 0.0000 -0.0001 0.0698 0.0001 0.0000 -0.0528 -0.0631 93. (0.04492) RY*( 1)Al 2 s( 0.01%)p99.99( 2.67%)d99.99( 97.31%) 0.0000 0.0000 0.0035 0.0084 0.0057 0.0000 0.0560 -0.0616 0.0000 0.1209 -0.0721 0.0000 0.0000 0.0000 0.5660 0.0001 0.0000 0.8077 0.0200 94. (0.02891) RY*( 2)Al 2 s( 2.10%)p 2.92( 6.13%)d43.72( 91.77%) 0.0000 0.0000 0.0077 0.1417 -0.0292 0.0000 0.1068 0.1819 0.0000 -0.0523 -0.1186 0.0000 0.0000 -0.0001 0.7280 0.0002 0.0000 -0.5164 0.3479 95. (0.01680) RY*( 3)Al 2 s( 0.00%)p 1.00( 1.86%)d52.81( 98.14%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 -0.0132 -0.1357 -0.0001 0.5273 0.8387 0.0000 -0.0002 96. (0.01607) RY*( 4)Al 2 s( 2.82%)p 2.19( 6.16%)d32.27( 91.02%) 0.0000 0.0000 0.0061 0.1599 -0.0509 0.0000 0.1165 0.1633 0.0000 -0.0652 -0.1309 0.0000 0.0000 0.0001 0.2258 -0.0002 -0.0001 -0.1345 -0.9171 97. (0.01338) RY*( 5)Al 2 s( 0.00%)p 1.00( 43.21%)d 1.31( 56.79%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0001 0.0000 -0.1037 -0.6491 -0.0001 0.5853 -0.4747 0.0000 -0.0002 98. (0.00401) RY*( 6)Al 2 s( 0.57%)p99.99( 97.98%)d 2.57( 1.46%) 0.0000 0.0000 -0.0058 0.0727 0.0186 0.0000 -0.0326 -0.3921 0.0000 -0.0308 -0.9077 0.0000 0.0000 -0.0001 -0.1061 0.0000 0.0000 -0.0317 0.0479 99. (0.00126) RY*( 7)Al 2 s( 41.29%)p 1.15( 47.45%)d 0.27( 11.26%) 0.0000 0.0000 -0.0410 0.6194 0.1660 0.0000 -0.0579 0.6553 0.0000 0.0408 -0.2000 0.0000 0.0000 0.0000 -0.2375 0.0000 0.0000 0.1854 0.1479 100. (0.00045) RY*( 8)Al 2 s( 0.00%)p 1.00( 56.13%)d 0.78( 43.87%) 0.0000 0.0000 0.0000 0.0004 0.0001 0.0000 0.0000 -0.0002 0.0000 0.0000 0.0002 0.0000 0.0474 -0.7477 0.0001 -0.6082 0.2622 0.0000 0.0000 101. (0.00039) RY*( 9)Al 2 s( 54.65%)p 0.82( 44.97%)d 0.01( 0.38%) 0.0000 0.0000 0.0335 0.7240 0.1456 0.0000 0.0146 -0.5927 0.0000 -0.0010 0.3134 0.0000 0.0000 0.0004 0.0332 0.0003 -0.0001 -0.0497 -0.0145 102. (0.00012) RY*(10)Al 2 s( 98.83%)p 0.00( 0.01%)d 0.01( 1.16%) 0.0000 0.0000 -0.0020 -0.2028 0.9732 0.0000 0.0054 -0.0016 0.0000 -0.0026 -0.0054 0.0000 0.0000 0.0000 0.0698 0.0000 0.0000 -0.0528 -0.0631 103. (0.01448) RY*( 1)Cl 3 s( 1.95%)p 9.72( 18.96%)d40.53( 79.09%) 0.0000 0.0000 -0.0114 0.1391 -0.0066 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0634 -0.4308 0.1048 0.0001 -0.0001 -0.1045 0.8769 104. (0.00373) RY*( 2)Cl 3 s( 0.00%)p 1.00( 32.91%)d 2.04( 67.09%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0325 -0.2561 0.0000 -0.0588 -0.5089 0.0000 0.0000 0.0000 0.0001 0.3908 0.7198 0.0002 0.0000 105. (0.00307) RY*( 3)Cl 3 s( 0.00%)p 0.00( 0.00%)d 1.00( 99.99%) 0.0000 0.0000 -0.0019 0.0035 0.0058 0.0000 0.0000 -0.0001 0.0000 0.0000 -0.0001 0.0000 0.0010 -0.0037 -0.6209 0.0001 0.0002 -0.7835 -0.0215 106. (0.00133) RY*( 4)Cl 3 s( 1.13%)p 0.11( 0.12%)d87.58( 98.75%) 0.0000 0.0000 -0.0467 -0.0127 0.0945 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0001 0.0000 -0.0339 -0.0074 -0.7704 -0.0001 -0.0002 0.6069 0.1604 107. (0.00060) RY*( 5)Cl 3 s( 0.00%)p 1.00( 2.19%)d44.57( 97.81%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0939 -0.1007 0.0000 0.0544 -0.0052 0.0000 0.0000 0.0000 0.0000 0.8521 -0.5019 0.0000 -0.0002 108. (0.00021) RY*( 6)Cl 3 s( 97.14%)p 0.00( 0.25%)d 0.03( 2.61%) 0.0000 0.0000 0.0029 0.9257 0.3384 0.0000 0.0000 0.0000 0.0000 0.0001 -0.0012 0.0000 0.0272 -0.0414 0.0004 -0.0004 -0.0006 0.0110 -0.1613 109. (0.00020) RY*( 7)Cl 3 s( 0.00%)p 1.00( 70.06%)d 0.43( 29.94%) 0.0000 0.0000 0.0000 0.0013 0.0004 0.0000 -0.0354 0.1193 0.0000 -0.0463 0.8264 0.0000 0.0000 0.0000 -0.0001 0.2911 0.4633 0.0002 -0.0001 110. (0.00009) RY*( 8)Cl 3 s( 0.00%)p 1.00( 96.78%)d 0.03( 3.22%) 111. (0.00007) RY*( 9)Cl 3 s( 1.40%)p57.99( 80.92%)d12.67( 17.68%) 112. (0.00002) RY*(10)Cl 3 s( 98.60%)p 0.00( 0.45%)d 0.01( 0.95%) 113. (0.01448) RY*( 1)Cl 4 s( 1.95%)p 9.72( 18.96%)d40.53( 79.08%) 0.0000 0.0000 -0.0114 0.1391 -0.0066 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0634 0.4308 0.1048 0.0000 -0.0001 -0.1044 0.8769 114. (0.00373) RY*( 2)Cl 4 s( 0.00%)p 1.00( 32.91%)d 2.04( 67.09%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0325 0.2561 0.0000 0.0588 0.5089 0.0000 0.0000 0.0001 0.0001 0.3907 0.7199 0.0001 0.0001 115. (0.00307) RY*( 3)Cl 4 s( 0.00%)p 0.00( 0.00%)d 1.00( 99.99%) 0.0000 0.0000 -0.0019 0.0035 0.0058 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0010 0.0038 -0.6210 0.0001 0.0002 -0.7835 -0.0214 116. (0.00133) RY*( 4)Cl 4 s( 1.13%)p 0.11( 0.12%)d87.57( 98.75%) 0.0000 0.0000 -0.0467 -0.0127 0.0945 0.0000 0.0000 -0.0001 0.0000 0.0000 -0.0001 0.0000 0.0339 0.0074 -0.7704 0.0001 0.0000 0.6069 0.1604 117. (0.00060) RY*( 5)Cl 4 s( 0.00%)p 1.00( 2.19%)d44.62( 97.81%) 0.0000 0.0000 0.0000 -0.0001 -0.0001 0.0000 0.0939 0.1006 0.0000 -0.0544 0.0050 0.0000 0.0000 0.0001 0.0000 0.8523 -0.5017 -0.0001 -0.0001 118. (0.00021) RY*( 6)Cl 4 s( 97.14%)p 0.00( 0.25%)d 0.03( 2.61%) 0.0000 0.0000 0.0029 0.9257 0.3384 0.0000 0.0001 -0.0005 0.0000 0.0001 -0.0010 0.0000 -0.0272 0.0414 0.0004 0.0005 0.0006 0.0110 -0.1613 119. (0.00020) RY*( 7)Cl 4 s( 0.00%)p 1.00( 70.08%)d 0.43( 29.92%) 0.0000 0.0000 0.0000 0.0013 0.0004 0.0000 -0.0353 0.1182 0.0000 -0.0463 0.8267 0.0000 0.0000 0.0001 -0.0001 -0.2906 -0.4634 0.0000 -0.0002 120. (0.00009) RY*( 8)Cl 4 s( 0.00%)p 1.00( 96.77%)d 0.03( 3.23%) 121. (0.00007) RY*( 9)Cl 4 s( 1.40%)p57.95( 80.92%)d12.66( 17.68%) 122. (0.00002) RY*(10)Cl 4 s( 98.60%)p 0.00( 0.45%)d 0.01( 0.95%) 123. (0.00045) RY*( 1)Cl 5 s( 57.01%)p 0.41( 23.44%)d 0.34( 19.55%) 0.0000 0.0000 0.0046 0.7540 0.0399 0.0000 0.0097 -0.2051 0.0000 0.0230 0.4379 0.0000 0.0000 0.0000 -0.2597 0.0001 0.0000 0.2874 0.2131 124. (0.00025) RY*( 2)Cl 5 s( 17.28%)p 3.77( 65.13%)d 1.02( 17.59%) 0.0000 0.0000 -0.0047 0.4124 -0.0517 0.0000 0.0071 0.6049 0.0000 -0.0245 -0.5336 0.0000 0.0000 -0.0005 -0.3922 0.0001 0.0003 -0.1047 -0.1053 125. (0.00012) RY*( 3)Cl 5 s( 0.00%)p 1.00( 64.37%)d 0.55( 35.63%) 0.0000 0.0000 0.0000 0.0004 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0006 0.0000 0.0034 0.8023 -0.0002 0.0389 -0.5956 -0.0003 -0.0001 126. (0.00008) RY*( 4)Cl 5 s( 3.66%)p15.30( 56.04%)d11.00( 40.30%) 127. (0.00006) RY*( 5)Cl 5 s( 22.37%)p 1.55( 34.68%)d 1.92( 42.95%) 128. (0.00003) RY*( 6)Cl 5 s( 0.00%)p 1.00( 31.86%)d 2.14( 68.14%) 129. (0.00002) RY*( 7)Cl 5 s( 14.28%)p 0.96( 13.78%)d 5.04( 71.94%) 130. (0.00000) RY*( 8)Cl 5 s( 84.20%)p 0.05( 3.88%)d 0.14( 11.92%) 131. (0.00001) RY*( 9)Cl 5 s( 0.00%)p 1.00( 3.82%)d25.21( 96.18%) 132. (0.00000) RY*(10)Cl 5 s( 1.21%)p 2.69( 3.25%)d79.20( 95.54%) 133. (0.00045) RY*( 1)Cl 6 s( 57.01%)p 0.41( 23.45%)d 0.34( 19.54%) 0.0000 0.0000 0.0046 0.7540 0.0399 0.0000 -0.0097 0.2051 0.0000 -0.0230 -0.4380 0.0000 0.0000 -0.0001 -0.2595 -0.0001 -0.0001 0.2874 0.2132 134. (0.00025) RY*( 2)Cl 6 s( 17.29%)p 3.77( 65.13%)d 1.02( 17.59%) 0.0000 0.0000 -0.0047 0.4125 -0.0516 0.0000 -0.0071 -0.6050 0.0000 0.0245 0.5335 0.0000 0.0000 0.0000 -0.3923 0.0000 -0.0001 -0.1045 -0.1053 135. (0.00012) RY*( 3)Cl 6 s( 0.00%)p 1.00( 64.37%)d 0.55( 35.63%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 -0.0001 0.0000 0.0034 0.8023 0.0000 -0.0390 0.5957 0.0001 0.0002 136. (0.00008) RY*( 4)Cl 6 s( 3.69%)p15.14( 55.89%)d10.95( 40.42%) 137. (0.00006) RY*( 5)Cl 6 s( 22.34%)p 1.56( 34.83%)d 1.92( 42.82%) 138. (0.00003) RY*( 6)Cl 6 s( 0.00%)p 1.00( 31.86%)d 2.14( 68.14%) 139. (0.00002) RY*( 7)Cl 6 s( 14.28%)p 0.96( 13.77%)d 5.04( 71.96%) 140. (0.00000) RY*( 8)Cl 6 s( 84.20%)p 0.05( 3.88%)d 0.14( 11.92%) 141. (0.00001) RY*( 9)Cl 6 s( 0.00%)p 1.00( 3.82%)d25.19( 96.18%) 142. (0.00000) RY*(10)Cl 6 s( 1.21%)p 2.69( 3.25%)d79.15( 95.54%) 143. (0.00047) RY*( 1)Br 7 s( 50.21%)p 0.40( 20.07%)d 0.59( 29.72%) 0.0000 0.0000 0.0000 0.0057 0.6877 0.1700 0.0149 0.0034 0.0000 0.0000 -0.0088 0.4349 0.0000 0.0000 -0.0262 0.1040 0.0000 0.0000 0.0000 0.0000 0.0000 -0.4627 0.0000 0.0000 0.0000 0.0001 0.0000 0.1421 0.0000 0.2508 144. (0.00021) RY*( 2)Br 7 s( 43.78%)p 1.08( 47.15%)d 0.21( 9.07%) 0.0000 0.0000 0.0000 -0.0025 0.6381 -0.1749 -0.0089 0.0029 0.0000 0.0000 0.0113 -0.6622 0.0000 0.0000 0.0142 0.1809 0.0000 0.0000 0.0000 0.0000 0.0000 0.1544 0.0000 0.0000 0.0000 0.0000 0.0000 -0.2088 0.0000 -0.1524 145. (0.00013) RY*( 3)Br 7 s( 46.28%)p 0.03( 1.29%)d 1.13( 52.43%) 0.0000 0.0000 0.0000 -0.0088 0.1160 0.6673 -0.0596 -0.0196 0.0000 0.0000 0.0260 -0.1102 0.0000 0.0000 0.0064 0.0026 0.0000 0.0000 0.0000 -0.0001 0.0000 0.3783 0.0000 -0.0001 0.0000 0.0001 0.0000 0.5819 0.0000 -0.2064 146. (0.00007) RY*( 4)Br 7 s( 7.69%)p 8.91( 68.55%)d 3.09( 23.75%) 147. (0.00005) RY*( 5)Br 7 s( 8.36%)p 5.01( 41.87%)d 5.95( 49.76%) 148. (0.00003) RY*( 6)Br 7 s( 0.00%)p 1.00( 0.09%)d99.99( 99.91%) 149. (0.00003) RY*( 7)Br 7 s( 0.00%)p 1.00( 0.02%)d99.99( 99.98%) 150. (0.00003) RY*( 8)Br 7 s( 0.00%)p 1.00(100.00%)d 0.00( 0.00%) 151. (0.00001) RY*( 9)Br 7 s( 2.85%)p 2.20( 6.25%)d31.95( 90.91%) 152. (0.00000) RY*(10)Br 7 s( 99.12%)p 0.00( 0.34%)d 0.01( 0.54%) 153. (0.00001) RY*(11)Br 7 s( 41.74%)p 0.35( 14.75%)d 1.04( 43.51%) 154. (0.00000) RY*(12)Br 7 s( 99.97%)p 0.00( 0.00%)d 0.00( 0.03%) 155. (0.00047) RY*( 1)Br 8 s( 50.21%)p 0.40( 20.07%)d 0.59( 29.73%) 0.0000 0.0000 0.0000 0.0057 0.6877 0.1700 0.0149 0.0034 0.0000 0.0000 0.0088 -0.4349 0.0000 0.0000 0.0262 -0.1040 0.0000 0.0000 0.0000 -0.0001 0.0000 -0.4628 0.0000 -0.0001 0.0000 -0.0001 0.0000 0.1422 0.0000 0.2508 156. (0.00021) RY*( 2)Br 8 s( 43.80%)p 1.08( 47.14%)d 0.21( 9.06%) 0.0000 0.0000 0.0000 -0.0025 0.6381 -0.1751 -0.0089 0.0029 0.0000 0.0000 -0.0113 0.6622 0.0000 0.0000 -0.0142 -0.1807 0.0000 0.0000 0.0000 -0.0002 0.0000 0.1543 0.0000 0.0000 0.0000 0.0001 0.0000 -0.2087 0.0000 -0.1524 157. (0.00013) RY*( 3)Br 8 s( 46.29%)p 0.03( 1.29%)d 1.13( 52.42%) 0.0000 0.0000 0.0000 -0.0088 0.1161 0.6674 -0.0596 -0.0196 0.0000 0.0000 -0.0260 0.1103 0.0000 0.0000 -0.0064 -0.0025 0.0000 0.0000 0.0000 0.0001 0.0000 0.3784 0.0000 0.0003 0.0000 0.0000 0.0000 0.5817 0.0000 -0.2065 158. (0.00007) RY*( 4)Br 8 s( 7.68%)p 8.93( 68.58%)d 3.09( 23.74%) 159. (0.00005) RY*( 5)Br 8 s( 8.36%)p 5.00( 41.84%)d 5.96( 49.79%) 160. (0.00003) RY*( 6)Br 8 s( 0.00%)p 1.00( 0.09%)d99.99( 99.91%) 161. (0.00003) RY*( 7)Br 8 s( 0.00%)p 1.00( 0.02%)d99.99( 99.98%) 162. (0.00003) RY*( 8)Br 8 s( 0.00%)p 1.00(100.00%)d 0.00( 0.00%) 163. (0.00001) RY*( 9)Br 8 s( 2.85%)p 2.20( 6.25%)d31.90( 90.90%) 164. (0.00000) RY*(10)Br 8 s( 99.12%)p 0.00( 0.34%)d 0.01( 0.54%) 165. (0.00001) RY*(11)Br 8 s( 41.73%)p 0.35( 14.75%)d 1.04( 43.52%) 166. (0.00000) RY*(12)Br 8 s( 99.97%)p 0.00( 0.00%)d 0.00( 0.03%) 167. (0.10000) BD*( 1)Al 1 -Cl 3 ( 84.46%) 0.9190*Al 1 s( 28.55%)p 2.45( 69.81%)d 0.06( 1.65%) -0.0001 -0.0005 0.5342 -0.0015 0.0092 -0.0006 -0.3993 -0.0248 0.0003 0.2096 0.0120 -0.0006 -0.7024 0.0240 -0.0731 0.0687 -0.0360 0.0522 0.0488 ( 15.54%) -0.3942*Cl 3 s( 44.62%)p 1.22( 54.60%)d 0.02( 0.78%) 0.0000 -0.0006 0.6680 -0.0047 0.0005 0.0001 0.6277 -0.0120 0.0000 -0.3163 0.0062 0.0000 0.2274 -0.0083 -0.0285 0.0678 -0.0342 0.0204 0.0276 168. (0.10000) BD*( 1)Al 1 -Cl 4 ( 84.46%) 0.9190*Al 1 s( 28.54%)p 2.45( 69.81%)d 0.06( 1.65%) -0.0001 -0.0005 0.5342 -0.0015 0.0092 -0.0006 -0.3992 -0.0248 0.0003 0.2096 0.0120 0.0006 0.7025 -0.0240 -0.0732 -0.0687 0.0360 0.0522 0.0489 ( 15.54%) -0.3942*Cl 4 s( 44.62%)p 1.22( 54.61%)d 0.02( 0.78%) 0.0000 -0.0006 0.6679 -0.0047 0.0005 0.0001 0.6278 -0.0120 0.0000 -0.3161 0.0062 0.0000 -0.2276 0.0084 -0.0284 -0.0679 0.0342 0.0204 0.0276 169. (0.12398) BD*( 1)Al 1 -Cl 5 ( 80.03%) 0.8946*Al 1 s( 21.46%)p 3.57( 76.68%)d 0.09( 1.86%) 0.0000 -0.0012 0.4632 -0.0049 -0.0077 0.0006 0.1440 -0.0093 -0.0001 -0.8632 0.0306 0.0000 0.0000 0.0000 0.0063 0.0000 -0.0001 -0.1263 -0.0509 ( 19.97%) -0.4469*Cl 5 s( 19.86%)p 4.03( 79.98%)d 0.01( 0.16%) 0.0000 0.0000 0.4456 0.0003 -0.0018 0.0000 -0.1110 0.0035 0.0000 0.8871 -0.0231 0.0000 -0.0003 0.0000 -0.0113 0.0000 0.0000 -0.0327 -0.0196 170. (0.12209) BD*( 1)Al 1 -Br 7 ( 77.71%) 0.8815*Al 1 s( 21.18%)p 3.64( 77.13%)d 0.08( 1.69%) 0.0000 0.0014 -0.4602 -0.0063 0.0038 -0.0005 -0.7923 0.0248 0.0004 -0.3780 0.0109 0.0000 0.0000 0.0000 -0.1193 0.0000 0.0000 -0.0298 0.0416 ( 22.29%) -0.4721*Br 7 s( 16.14%)p 5.18( 83.68%)d 0.01( 0.18%) 0.0000 0.0000 0.0000 -0.4017 -0.0049 0.0056 0.0006 0.0002 0.0000 -0.0001 0.8024 0.0169 0.0000 0.0000 0.4388 0.0088 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0286 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0232 0.0000 0.0200 171. (0.10000) BD*( 1)Al 2 -Cl 3 ( 84.46%) 0.9190*Al 2 s( 28.54%)p 2.45( 69.81%)d 0.06( 1.65%) -0.0001 -0.0005 0.5342 -0.0015 0.0092 0.0006 0.3993 0.0248 -0.0003 -0.2095 -0.0120 -0.0006 -0.7025 0.0240 -0.0731 -0.0687 0.0360 0.0522 0.0489 ( 15.54%) -0.3942*Cl 3 s( 44.62%)p 1.22( 54.61%)d 0.02( 0.78%) 0.0000 -0.0006 0.6679 -0.0047 0.0005 -0.0001 -0.6278 0.0120 0.0000 0.3161 -0.0062 0.0000 0.2276 -0.0084 -0.0284 -0.0679 0.0342 0.0205 0.0276 172. (0.10000) BD*( 1)Al 2 -Cl 4 ( 84.46%) 0.9190*Al 2 s( 28.55%)p 2.45( 69.81%)d 0.06( 1.65%) -0.0001 -0.0005 0.5342 -0.0015 0.0092 0.0006 0.3993 0.0248 -0.0003 -0.2096 -0.0120 0.0006 0.7024 -0.0240 -0.0732 0.0687 -0.0360 0.0522 0.0488 ( 15.54%) -0.3942*Cl 4 s( 44.62%)p 1.22( 54.60%)d 0.02( 0.78%) 0.0000 -0.0006 0.6680 -0.0047 0.0005 -0.0001 -0.6279 0.0120 0.0000 0.3160 -0.0062 0.0000 -0.2274 0.0083 -0.0285 0.0679 -0.0342 0.0205 0.0276 173. (0.12398) BD*( 1)Al 2 -Cl 6 ( 80.03%) 0.8946*Al 2 s( 21.46%)p 3.57( 76.68%)d 0.09( 1.86%) 0.0000 0.0012 -0.4632 0.0049 0.0077 0.0006 0.1441 -0.0093 -0.0001 -0.8631 0.0306 0.0000 -0.0001 0.0000 -0.0063 0.0000 0.0000 0.1263 0.0509 ( 19.97%) -0.4469*Cl 6 s( 19.86%)p 4.03( 79.98%)d 0.01( 0.16%) 0.0000 0.0000 -0.4456 -0.0003 0.0018 0.0000 -0.1110 0.0035 0.0000 0.8871 -0.0231 0.0000 0.0001 0.0000 0.0113 0.0000 0.0000 0.0327 0.0196 174. (0.12208) BD*( 1)Al 2 -Br 8 ( 77.71%) 0.8815*Al 2 s( 21.18%)p 3.64( 77.13%)d 0.08( 1.69%) 0.0000 -0.0014 0.4602 0.0063 -0.0038 -0.0005 -0.7922 0.0248 0.0004 -0.3781 0.0109 0.0000 -0.0001 0.0000 0.1193 0.0000 0.0000 0.0298 -0.0416 ( 22.29%) -0.4721*Br 8 s( 16.14%)p 5.18( 83.68%)d 0.01( 0.18%) 0.0000 0.0000 0.0000 0.4017 0.0049 -0.0056 -0.0006 -0.0002 0.0000 -0.0001 0.8023 0.0169 0.0000 0.0000 0.4390 0.0088 0.0000 0.0000 0.0002 0.0000 0.0000 0.0287 0.0000 0.0000 0.0000 0.0000 0.0000 0.0232 0.0000 -0.0200 NHO Directionality and "Bond Bending" (deviations from line of nuclear centers) [Thresholds for printing: angular deviation > 1.0 degree] hybrid p-character > 25.0% orbital occupancy > 0.10e Line of Centers Hybrid 1 Hybrid 2 --------------- ------------------- ------------------ NBO Theta Phi Theta Phi Dev Theta Phi Dev ======================================================================================== 1. BD ( 1)Al 1 -Cl 3 135.0 152.8 144.8 152.4 9.8 72.4 333.3 27.4 2. BD ( 1)Al 1 -Cl 4 45.0 152.8 35.2 152.4 9.8 107.6 333.3 27.4 3. BD ( 1)Al 1 -Cl 5 90.0 278.0 90.0 279.2 1.2 -- -- -- 4. BD ( 1)Al 1 -Br 7 90.0 27.5 90.0 25.5 2.0 90.0 208.7 1.1 5. BD ( 1)Al 2 -Cl 3 135.0 332.8 144.8 332.4 9.8 72.4 153.3 27.4 6. BD ( 1)Al 2 -Cl 4 45.0 332.8 35.2 332.4 9.8 107.6 153.3 27.4 7. BD ( 1)Al 2 -Cl 6 90.0 98.0 90.0 99.2 1.2 -- -- -- 8. BD ( 1)Al 2 -Br 8 90.0 207.5 90.0 205.5 2.0 90.0 28.7 1.1 67. LP ( 1)Cl 3 -- -- 180.0 0.0 -- -- -- -- 68. LP ( 2)Cl 3 -- -- 90.0 63.3 -- -- -- -- 69. LP ( 1)Cl 4 -- -- 0.0 0.0 -- -- -- -- 70. LP ( 2)Cl 4 -- -- 90.0 63.3 -- -- -- -- 72. LP ( 2)Cl 5 -- -- 0.2 184.0 -- -- -- -- 73. LP ( 3)Cl 5 -- -- 90.2 187.0 -- -- -- -- 75. LP ( 2)Cl 6 -- -- 0.1 4.4 -- -- -- -- 76. LP ( 3)Cl 6 -- -- 90.1 7.0 -- -- -- -- 78. LP ( 2)Br 7 -- -- 0.3 299.0 -- -- -- -- 79. LP ( 3)Br 7 -- -- 89.7 118.6 -- -- -- -- 81. LP ( 2)Br 8 -- -- 0.1 122.4 -- -- -- -- 82. LP ( 3)Br 8 -- -- 89.9 298.6 -- -- -- -- 168. BD*( 1)Al 1 -Cl 4 45.0 152.8 35.2 152.4 9.8 107.6 333.3 27.4 169. BD*( 1)Al 1 -Cl 5 90.0 278.0 90.0 279.2 1.2 -- -- -- 170. BD*( 1)Al 1 -Br 7 90.0 27.5 90.0 25.5 2.0 90.0 208.7 1.1 171. BD*( 1)Al 2 -Cl 3 135.0 332.8 144.8 332.4 9.8 72.4 153.3 27.4 173. BD*( 1)Al 2 -Cl 6 90.0 98.0 90.0 99.2 1.2 -- -- -- 174. BD*( 1)Al 2 -Br 8 90.0 207.5 90.0 205.5 2.0 90.0 28.7 1.1 Second Order Perturbation Theory Analysis of Fock Matrix in NBO Basis Threshold for printing: 0.50 kcal/mol E(2) E(j)-E(i) F(i,j) Donor NBO (i) Acceptor NBO (j) kcal/mol a.u. a.u. =================================================================================================== within unit 1 1. BD ( 1)Al 1 -Cl 3 / 86. RY*( 4)Al 1 0.64 1.88 0.031 1. BD ( 1)Al 1 -Cl 3 / 87. RY*( 5)Al 1 0.80 2.11 0.037 1. BD ( 1)Al 1 -Cl 3 / 96. RY*( 4)Al 2 0.84 1.88 0.036 1. BD ( 1)Al 1 -Cl 3 / 97. RY*( 5)Al 2 1.06 2.11 0.042 1. BD ( 1)Al 1 -Cl 3 /167. BD*( 1)Al 1 -Cl 3 1.53 1.51 0.044 1. BD ( 1)Al 1 -Cl 3 /168. BD*( 1)Al 1 -Cl 4 2.28 1.51 0.053 1. BD ( 1)Al 1 -Cl 3 /171. BD*( 1)Al 2 -Cl 3 10.17 1.51 0.113 1. BD ( 1)Al 1 -Cl 3 /172. BD*( 1)Al 2 -Cl 4 7.75 1.51 0.098 1. BD ( 1)Al 1 -Cl 3 /173. BD*( 1)Al 2 -Cl 6 3.01 1.33 0.058 1. BD ( 1)Al 1 -Cl 3 /174. BD*( 1)Al 2 -Br 8 3.38 1.30 0.061 2. BD ( 1)Al 1 -Cl 4 / 86. RY*( 4)Al 1 0.64 1.88 0.031 2. BD ( 1)Al 1 -Cl 4 / 87. RY*( 5)Al 1 0.80 2.11 0.037 2. BD ( 1)Al 1 -Cl 4 / 96. RY*( 4)Al 2 0.84 1.88 0.036 2. BD ( 1)Al 1 -Cl 4 / 97. RY*( 5)Al 2 1.06 2.11 0.042 2. BD ( 1)Al 1 -Cl 4 /167. BD*( 1)Al 1 -Cl 3 2.28 1.51 0.053 2. BD ( 1)Al 1 -Cl 4 /168. BD*( 1)Al 1 -Cl 4 1.53 1.51 0.044 2. BD ( 1)Al 1 -Cl 4 /171. BD*( 1)Al 2 -Cl 3 7.75 1.51 0.098 2. BD ( 1)Al 1 -Cl 4 /172. BD*( 1)Al 2 -Cl 4 10.17 1.51 0.113 2. BD ( 1)Al 1 -Cl 4 /173. BD*( 1)Al 2 -Cl 6 3.01 1.33 0.058 2. BD ( 1)Al 1 -Cl 4 /174. BD*( 1)Al 2 -Br 8 3.38 1.30 0.061 3. BD ( 1)Al 1 -Cl 5 / 84. RY*( 2)Al 1 0.90 1.33 0.031 3. BD ( 1)Al 1 -Cl 5 /167. BD*( 1)Al 1 -Cl 3 1.80 0.87 0.036 3. BD ( 1)Al 1 -Cl 5 /168. BD*( 1)Al 1 -Cl 4 1.81 0.87 0.036 3. BD ( 1)Al 1 -Cl 5 /170. BD*( 1)Al 1 -Br 7 0.61 0.66 0.018 3. BD ( 1)Al 1 -Cl 5 /171. BD*( 1)Al 2 -Cl 3 0.87 0.87 0.025 3. BD ( 1)Al 1 -Cl 5 /172. BD*( 1)Al 2 -Cl 4 0.87 0.87 0.025 4. BD ( 1)Al 1 -Br 7 / 84. RY*( 2)Al 1 1.14 1.28 0.034 4. BD ( 1)Al 1 -Br 7 /103. RY*( 1)Cl 3 0.53 1.16 0.022 4. BD ( 1)Al 1 -Br 7 /113. RY*( 1)Cl 4 0.53 1.16 0.022 4. BD ( 1)Al 1 -Br 7 /167. BD*( 1)Al 1 -Cl 3 2.00 0.82 0.037 4. BD ( 1)Al 1 -Br 7 /168. BD*( 1)Al 1 -Cl 4 2.00 0.82 0.037 4. BD ( 1)Al 1 -Br 7 /169. BD*( 1)Al 1 -Cl 5 0.65 0.63 0.019 4. BD ( 1)Al 1 -Br 7 /171. BD*( 1)Al 2 -Cl 3 1.08 0.82 0.027 4. BD ( 1)Al 1 -Br 7 /172. BD*( 1)Al 2 -Cl 4 1.08 0.82 0.027 5. BD ( 1)Al 2 -Cl 3 / 86. RY*( 4)Al 1 0.84 1.88 0.036 5. BD ( 1)Al 2 -Cl 3 / 87. RY*( 5)Al 1 1.06 2.11 0.042 5. BD ( 1)Al 2 -Cl 3 / 96. RY*( 4)Al 2 0.64 1.88 0.031 5. BD ( 1)Al 2 -Cl 3 / 97. RY*( 5)Al 2 0.80 2.11 0.037 5. BD ( 1)Al 2 -Cl 3 /167. BD*( 1)Al 1 -Cl 3 10.17 1.51 0.113 5. BD ( 1)Al 2 -Cl 3 /168. BD*( 1)Al 1 -Cl 4 7.75 1.51 0.098 5. BD ( 1)Al 2 -Cl 3 /169. BD*( 1)Al 1 -Cl 5 3.01 1.33 0.058 5. BD ( 1)Al 2 -Cl 3 /170. BD*( 1)Al 1 -Br 7 3.38 1.30 0.061 5. BD ( 1)Al 2 -Cl 3 /171. BD*( 1)Al 2 -Cl 3 1.53 1.51 0.044 5. BD ( 1)Al 2 -Cl 3 /172. BD*( 1)Al 2 -Cl 4 2.28 1.51 0.053 6. BD ( 1)Al 2 -Cl 4 / 86. RY*( 4)Al 1 0.84 1.88 0.036 6. BD ( 1)Al 2 -Cl 4 / 87. RY*( 5)Al 1 1.06 2.11 0.042 6. BD ( 1)Al 2 -Cl 4 / 96. RY*( 4)Al 2 0.64 1.88 0.031 6. BD ( 1)Al 2 -Cl 4 / 97. RY*( 5)Al 2 0.80 2.11 0.037 6. BD ( 1)Al 2 -Cl 4 /167. BD*( 1)Al 1 -Cl 3 7.75 1.51 0.098 6. BD ( 1)Al 2 -Cl 4 /168. BD*( 1)Al 1 -Cl 4 10.17 1.51 0.113 6. BD ( 1)Al 2 -Cl 4 /169. BD*( 1)Al 1 -Cl 5 3.01 1.33 0.058 6. BD ( 1)Al 2 -Cl 4 /170. BD*( 1)Al 1 -Br 7 3.38 1.30 0.061 6. BD ( 1)Al 2 -Cl 4 /171. BD*( 1)Al 2 -Cl 3 2.28 1.51 0.053 6. BD ( 1)Al 2 -Cl 4 /172. BD*( 1)Al 2 -Cl 4 1.53 1.51 0.044 7. BD ( 1)Al 2 -Cl 6 / 94. RY*( 2)Al 2 0.90 1.33 0.031 7. BD ( 1)Al 2 -Cl 6 /167. BD*( 1)Al 1 -Cl 3 0.87 0.87 0.025 7. BD ( 1)Al 2 -Cl 6 /168. BD*( 1)Al 1 -Cl 4 0.87 0.87 0.025 7. BD ( 1)Al 2 -Cl 6 /171. BD*( 1)Al 2 -Cl 3 1.81 0.87 0.036 7. BD ( 1)Al 2 -Cl 6 /172. BD*( 1)Al 2 -Cl 4 1.81 0.87 0.036 7. BD ( 1)Al 2 -Cl 6 /174. BD*( 1)Al 2 -Br 8 0.60 0.66 0.018 8. BD ( 1)Al 2 -Br 8 / 94. RY*( 2)Al 2 1.14 1.28 0.034 8. BD ( 1)Al 2 -Br 8 /103. RY*( 1)Cl 3 0.53 1.16 0.022 8. BD ( 1)Al 2 -Br 8 /113. RY*( 1)Cl 4 0.53 1.16 0.022 8. BD ( 1)Al 2 -Br 8 /167. BD*( 1)Al 1 -Cl 3 1.08 0.82 0.027 8. BD ( 1)Al 2 -Br 8 /168. BD*( 1)Al 1 -Cl 4 1.08 0.82 0.027 8. BD ( 1)Al 2 -Br 8 /171. BD*( 1)Al 2 -Cl 3 2.00 0.82 0.037 8. BD ( 1)Al 2 -Br 8 /172. BD*( 1)Al 2 -Cl 4 2.00 0.82 0.037 8. BD ( 1)Al 2 -Br 8 /173. BD*( 1)Al 2 -Cl 6 0.65 0.63 0.019 9. CR ( 1)Al 1 /171. BD*( 1)Al 2 -Cl 3 0.91 55.75 0.206 9. CR ( 1)Al 1 /172. BD*( 1)Al 2 -Cl 4 0.91 55.75 0.206 10. CR ( 2)Al 1 /167. BD*( 1)Al 1 -Cl 3 0.56 5.10 0.049 10. CR ( 2)Al 1 /168. BD*( 1)Al 1 -Cl 4 0.56 5.10 0.049 10. CR ( 2)Al 1 /169. BD*( 1)Al 1 -Cl 5 3.58 4.92 0.122 10. CR ( 2)Al 1 /170. BD*( 1)Al 1 -Br 7 3.60 4.89 0.122 10. CR ( 2)Al 1 /171. BD*( 1)Al 2 -Cl 3 5.57 5.10 0.154 10. CR ( 2)Al 1 /172. BD*( 1)Al 2 -Cl 4 5.57 5.10 0.154 10. CR ( 2)Al 1 /174. BD*( 1)Al 2 -Br 8 0.53 4.89 0.047 11. CR ( 3)Al 1 /167. BD*( 1)Al 1 -Cl 3 0.63 3.10 0.040 11. CR ( 3)Al 1 /168. BD*( 1)Al 1 -Cl 4 0.63 3.10 0.040 11. CR ( 3)Al 1 /170. BD*( 1)Al 1 -Br 7 1.08 2.89 0.051 12. CR ( 4)Al 1 /169. BD*( 1)Al 1 -Cl 5 1.06 2.91 0.051 14. CR ( 1)Al 2 /167. BD*( 1)Al 1 -Cl 3 0.91 55.75 0.206 14. CR ( 1)Al 2 /168. BD*( 1)Al 1 -Cl 4 0.91 55.75 0.206 15. CR ( 2)Al 2 /167. BD*( 1)Al 1 -Cl 3 5.57 5.10 0.154 15. CR ( 2)Al 2 /168. BD*( 1)Al 1 -Cl 4 5.57 5.10 0.154 15. CR ( 2)Al 2 /170. BD*( 1)Al 1 -Br 7 0.53 4.89 0.047 15. CR ( 2)Al 2 /171. BD*( 1)Al 2 -Cl 3 0.56 5.10 0.049 15. CR ( 2)Al 2 /172. BD*( 1)Al 2 -Cl 4 0.56 5.10 0.049 15. CR ( 2)Al 2 /173. BD*( 1)Al 2 -Cl 6 3.58 4.92 0.122 15. CR ( 2)Al 2 /174. BD*( 1)Al 2 -Br 8 3.60 4.89 0.122 16. CR ( 3)Al 2 /171. BD*( 1)Al 2 -Cl 3 0.63 3.10 0.040 16. CR ( 3)Al 2 /172. BD*( 1)Al 2 -Cl 4 0.63 3.10 0.040 16. CR ( 3)Al 2 /174. BD*( 1)Al 2 -Br 8 1.08 2.89 0.051 17. CR ( 4)Al 2 /173. BD*( 1)Al 2 -Cl 6 1.06 2.91 0.051 20. CR ( 2)Cl 3 / 84. RY*( 2)Al 1 0.89 11.10 0.089 20. CR ( 2)Cl 3 / 86. RY*( 4)Al 1 1.03 10.99 0.095 20. CR ( 2)Cl 3 / 87. RY*( 5)Al 1 1.44 11.22 0.114 20. CR ( 2)Cl 3 / 94. RY*( 2)Al 2 0.89 11.10 0.089 20. CR ( 2)Cl 3 / 96. RY*( 4)Al 2 1.03 10.99 0.095 20. CR ( 2)Cl 3 / 97. RY*( 5)Al 2 1.44 11.22 0.114 20. CR ( 2)Cl 3 /106. RY*( 4)Cl 3 1.48 11.08 0.114 20. CR ( 2)Cl 3 /167. BD*( 1)Al 1 -Cl 3 1.56 10.63 0.118 20. CR ( 2)Cl 3 /168. BD*( 1)Al 1 -Cl 4 1.14 10.63 0.101 20. CR ( 2)Cl 3 /171. BD*( 1)Al 2 -Cl 3 1.56 10.63 0.118 20. CR ( 2)Cl 3 /172. BD*( 1)Al 2 -Cl 4 1.14 10.63 0.101 23. CR ( 5)Cl 3 /168. BD*( 1)Al 1 -Cl 4 0.52 7.62 0.058 23. CR ( 5)Cl 3 /172. BD*( 1)Al 2 -Cl 4 0.52 7.62 0.058 25. CR ( 2)Cl 4 / 84. RY*( 2)Al 1 0.89 11.10 0.089 25. CR ( 2)Cl 4 / 86. RY*( 4)Al 1 1.03 10.99 0.095 25. CR ( 2)Cl 4 / 87. RY*( 5)Al 1 1.44 11.22 0.114 25. CR ( 2)Cl 4 / 94. RY*( 2)Al 2 0.89 11.10 0.089 25. CR ( 2)Cl 4 / 96. RY*( 4)Al 2 1.03 10.99 0.095 25. CR ( 2)Cl 4 / 97. RY*( 5)Al 2 1.44 11.22 0.114 25. CR ( 2)Cl 4 /116. RY*( 4)Cl 4 1.48 11.08 0.114 25. CR ( 2)Cl 4 /167. BD*( 1)Al 1 -Cl 3 1.14 10.63 0.101 25. CR ( 2)Cl 4 /168. BD*( 1)Al 1 -Cl 4 1.56 10.63 0.118 25. CR ( 2)Cl 4 /171. BD*( 1)Al 2 -Cl 3 1.14 10.63 0.101 25. CR ( 2)Cl 4 /172. BD*( 1)Al 2 -Cl 4 1.56 10.63 0.118 28. CR ( 5)Cl 4 /167. BD*( 1)Al 1 -Cl 3 0.52 7.62 0.058 28. CR ( 5)Cl 4 /171. BD*( 1)Al 2 -Cl 3 0.52 7.62 0.058 40. CR ( 2)Br 7 / 88. RY*( 6)Al 1 0.94 58.17 0.208 40. CR ( 2)Br 7 / 91. RY*( 9)Al 1 0.90 58.45 0.204 41. CR ( 3)Br 7 / 91. RY*( 9)Al 1 0.91 18.94 0.117 54. CR ( 2)Br 8 / 98. RY*( 6)Al 2 0.94 58.17 0.208 54. CR ( 2)Br 8 /101. RY*( 9)Al 2 0.90 58.45 0.204 55. CR ( 3)Br 8 /101. RY*( 9)Al 2 0.91 18.94 0.117 67. LP ( 1)Cl 3 / 84. RY*( 2)Al 1 5.02 1.43 0.076 67. LP ( 1)Cl 3 / 87. RY*( 5)Al 1 0.78 1.56 0.032 67. LP ( 1)Cl 3 / 94. RY*( 2)Al 2 5.02 1.43 0.076 67. LP ( 1)Cl 3 / 97. RY*( 5)Al 2 0.78 1.56 0.031 67. LP ( 1)Cl 3 /103. RY*( 1)Cl 3 1.51 1.31 0.040 67. LP ( 1)Cl 3 /106. RY*( 4)Cl 3 0.53 1.41 0.025 67. LP ( 1)Cl 3 /113. RY*( 1)Cl 4 0.96 1.31 0.032 67. LP ( 1)Cl 3 /168. BD*( 1)Al 1 -Cl 4 5.13 0.96 0.063 67. LP ( 1)Cl 3 /169. BD*( 1)Al 1 -Cl 5 0.75 0.78 0.022 67. LP ( 1)Cl 3 /170. BD*( 1)Al 1 -Br 7 0.76 0.75 0.022 67. LP ( 1)Cl 3 /172. BD*( 1)Al 2 -Cl 4 5.13 0.96 0.063 67. LP ( 1)Cl 3 /173. BD*( 1)Al 2 -Cl 6 0.76 0.78 0.022 67. LP ( 1)Cl 3 /174. BD*( 1)Al 2 -Br 8 0.76 0.75 0.022 68. LP ( 2)Cl 3 / 83. RY*( 1)Al 1 7.54 1.02 0.081 68. LP ( 2)Cl 3 / 85. RY*( 3)Al 1 3.37 0.99 0.054 68. LP ( 2)Cl 3 / 93. RY*( 1)Al 2 7.53 1.02 0.081 68. LP ( 2)Cl 3 / 95. RY*( 3)Al 2 3.37 0.99 0.054 68. LP ( 2)Cl 3 /104. RY*( 2)Cl 3 3.57 1.00 0.056 68. LP ( 2)Cl 3 /109. RY*( 7)Cl 3 0.82 1.29 0.030 68. LP ( 2)Cl 3 /169. BD*( 1)Al 1 -Cl 5 17.48 0.61 0.094 68. LP ( 2)Cl 3 /170. BD*( 1)Al 1 -Br 7 17.02 0.58 0.091 68. LP ( 2)Cl 3 /173. BD*( 1)Al 2 -Cl 6 17.47 0.61 0.094 68. LP ( 2)Cl 3 /174. BD*( 1)Al 2 -Br 8 17.03 0.58 0.091 69. LP ( 1)Cl 4 / 84. RY*( 2)Al 1 5.02 1.43 0.076 69. LP ( 1)Cl 4 / 87. RY*( 5)Al 1 0.78 1.56 0.031 69. LP ( 1)Cl 4 / 94. RY*( 2)Al 2 5.02 1.43 0.076 69. LP ( 1)Cl 4 / 97. RY*( 5)Al 2 0.78 1.56 0.032 69. LP ( 1)Cl 4 /103. RY*( 1)Cl 3 0.96 1.31 0.032 69. LP ( 1)Cl 4 /113. RY*( 1)Cl 4 1.51 1.31 0.040 69. LP ( 1)Cl 4 /116. RY*( 4)Cl 4 0.53 1.41 0.025 69. LP ( 1)Cl 4 /167. BD*( 1)Al 1 -Cl 3 5.13 0.96 0.063 69. LP ( 1)Cl 4 /169. BD*( 1)Al 1 -Cl 5 0.76 0.78 0.022 69. LP ( 1)Cl 4 /170. BD*( 1)Al 1 -Br 7 0.76 0.75 0.022 69. LP ( 1)Cl 4 /171. BD*( 1)Al 2 -Cl 3 5.13 0.96 0.063 69. LP ( 1)Cl 4 /173. BD*( 1)Al 2 -Cl 6 0.76 0.78 0.022 69. LP ( 1)Cl 4 /174. BD*( 1)Al 2 -Br 8 0.75 0.75 0.022 70. LP ( 2)Cl 4 / 83. RY*( 1)Al 1 7.53 1.02 0.081 70. LP ( 2)Cl 4 / 85. RY*( 3)Al 1 3.37 0.99 0.054 70. LP ( 2)Cl 4 / 93. RY*( 1)Al 2 7.54 1.02 0.081 70. LP ( 2)Cl 4 / 95. RY*( 3)Al 2 3.37 0.99 0.054 70. LP ( 2)Cl 4 /114. RY*( 2)Cl 4 3.57 1.00 0.056 70. LP ( 2)Cl 4 /119. RY*( 7)Cl 4 0.82 1.29 0.030 70. LP ( 2)Cl 4 /169. BD*( 1)Al 1 -Cl 5 17.48 0.61 0.094 70. LP ( 2)Cl 4 /170. BD*( 1)Al 1 -Br 7 17.02 0.58 0.091 70. LP ( 2)Cl 4 /173. BD*( 1)Al 2 -Cl 6 17.48 0.61 0.094 70. LP ( 2)Cl 4 /174. BD*( 1)Al 2 -Br 8 17.03 0.58 0.091 72. LP ( 2)Cl 5 / 85. RY*( 3)Al 1 1.13 0.79 0.027 72. LP ( 2)Cl 5 /167. BD*( 1)Al 1 -Cl 3 4.20 0.60 0.045 72. LP ( 2)Cl 5 /168. BD*( 1)Al 1 -Cl 4 4.25 0.60 0.046 73. LP ( 3)Cl 5 / 84. RY*( 2)Al 1 0.76 1.06 0.025 73. LP ( 3)Cl 5 /167. BD*( 1)Al 1 -Cl 3 2.00 0.60 0.031 73. LP ( 3)Cl 5 /168. BD*( 1)Al 1 -Cl 4 1.95 0.60 0.031 73. LP ( 3)Cl 5 /170. BD*( 1)Al 1 -Br 7 6.16 0.39 0.044 75. LP ( 2)Cl 6 / 95. RY*( 3)Al 2 1.13 0.79 0.027 75. LP ( 2)Cl 6 /171. BD*( 1)Al 2 -Cl 3 4.21 0.60 0.045 75. LP ( 2)Cl 6 /172. BD*( 1)Al 2 -Cl 4 4.23 0.60 0.046 76. LP ( 3)Cl 6 / 94. RY*( 2)Al 2 0.76 1.06 0.025 76. LP ( 3)Cl 6 /171. BD*( 1)Al 2 -Cl 3 1.99 0.60 0.031 76. LP ( 3)Cl 6 /172. BD*( 1)Al 2 -Cl 4 1.96 0.60 0.031 76. LP ( 3)Cl 6 /174. BD*( 1)Al 2 -Br 8 6.16 0.39 0.044 78. LP ( 2)Br 7 / 85. RY*( 3)Al 1 1.14 0.77 0.027 78. LP ( 2)Br 7 /167. BD*( 1)Al 1 -Cl 3 4.18 0.58 0.044 78. LP ( 2)Br 7 /168. BD*( 1)Al 1 -Cl 4 4.12 0.58 0.044 79. LP ( 3)Br 7 / 84. RY*( 2)Al 1 0.67 1.04 0.024 79. LP ( 3)Br 7 /167. BD*( 1)Al 1 -Cl 3 1.97 0.57 0.030 79. LP ( 3)Br 7 /168. BD*( 1)Al 1 -Cl 4 2.03 0.57 0.031 79. LP ( 3)Br 7 /169. BD*( 1)Al 1 -Cl 5 5.93 0.39 0.044 81. LP ( 2)Br 8 / 95. RY*( 3)Al 2 1.14 0.77 0.027 81. LP ( 2)Br 8 /171. BD*( 1)Al 2 -Cl 3 4.17 0.58 0.044 81. LP ( 2)Br 8 /172. BD*( 1)Al 2 -Cl 4 4.14 0.58 0.044 82. LP ( 3)Br 8 / 94. RY*( 2)Al 2 0.67 1.04 0.024 82. LP ( 3)Br 8 /171. BD*( 1)Al 2 -Cl 3 1.99 0.57 0.030 82. LP ( 3)Br 8 /172. BD*( 1)Al 2 -Cl 4 2.02 0.57 0.031 82. LP ( 3)Br 8 /173. BD*( 1)Al 2 -Cl 6 5.93 0.39 0.044 168. BD*( 1)Al 1 -Cl 4 / 84. RY*( 2)Al 1 4.95 0.47 0.169 168. BD*( 1)Al 1 -Cl 4 / 86. RY*( 4)Al 1 7.86 0.36 0.198 168. BD*( 1)Al 1 -Cl 4 / 87. RY*( 5)Al 1 6.39 0.59 0.231 168. BD*( 1)Al 1 -Cl 4 / 89. RY*( 7)Al 1 2.22 0.18 0.080 168. BD*( 1)Al 1 -Cl 4 / 90. RY*( 8)Al 1 2.73 0.05 0.048 168. BD*( 1)Al 1 -Cl 4 / 99. RY*( 7)Al 2 0.98 0.18 0.053 168. BD*( 1)Al 1 -Cl 4 /101. RY*( 9)Al 2 1.01 0.16 0.051 168. BD*( 1)Al 1 -Cl 4 /103. RY*( 1)Cl 3 1.58 0.35 0.087 168. BD*( 1)Al 1 -Cl 4 /107. RY*( 5)Cl 3 0.78 0.50 0.078 168. BD*( 1)Al 1 -Cl 4 /117. RY*( 5)Cl 4 2.32 0.50 0.135 168. BD*( 1)Al 1 -Cl 4 /148. RY*( 6)Br 7 0.61 0.25 0.049 169. BD*( 1)Al 1 -Cl 5 / 83. RY*( 1)Al 1 3.13 0.41 0.110 169. BD*( 1)Al 1 -Cl 5 / 84. RY*( 2)Al 1 0.72 0.65 0.070 169. BD*( 1)Al 1 -Cl 5 / 86. RY*( 4)Al 1 1.79 0.55 0.106 169. BD*( 1)Al 1 -Cl 5 / 88. RY*( 6)Al 1 1.19 0.06 0.031 169. BD*( 1)Al 1 -Cl 5 /123. RY*( 1)Cl 5 0.72 0.61 0.075 169. BD*( 1)Al 1 -Cl 5 /124. RY*( 2)Cl 5 0.58 0.48 0.060 169. BD*( 1)Al 1 -Cl 5 /167. BD*( 1)Al 1 -Cl 3 0.74 0.18 0.031 169. BD*( 1)Al 1 -Cl 5 /168. BD*( 1)Al 1 -Cl 4 0.74 0.18 0.031 170. BD*( 1)Al 1 -Br 7 / 83. RY*( 1)Al 1 1.78 0.44 0.086 170. BD*( 1)Al 1 -Br 7 / 84. RY*( 2)Al 1 0.64 0.68 0.068 170. BD*( 1)Al 1 -Br 7 / 86. RY*( 4)Al 1 1.35 0.57 0.095 170. BD*( 1)Al 1 -Br 7 / 88. RY*( 6)Al 1 0.98 0.09 0.033 170. BD*( 1)Al 1 -Br 7 /167. BD*( 1)Al 1 -Cl 3 0.75 0.21 0.034 170. BD*( 1)Al 1 -Br 7 /168. BD*( 1)Al 1 -Cl 4 0.75 0.21 0.034 170. BD*( 1)Al 1 -Br 7 /169. BD*( 1)Al 1 -Cl 5 3.91 0.03 0.025 170. BD*( 1)Al 1 -Br 7 /173. BD*( 1)Al 2 -Cl 6 0.93 0.03 0.012 171. BD*( 1)Al 2 -Cl 3 / 89. RY*( 7)Al 1 0.98 0.18 0.053 171. BD*( 1)Al 2 -Cl 3 / 91. RY*( 9)Al 1 1.01 0.16 0.051 171. BD*( 1)Al 2 -Cl 3 / 94. RY*( 2)Al 2 4.95 0.47 0.169 171. BD*( 1)Al 2 -Cl 3 / 96. RY*( 4)Al 2 7.85 0.36 0.198 171. BD*( 1)Al 2 -Cl 3 / 97. RY*( 5)Al 2 6.40 0.59 0.231 171. BD*( 1)Al 2 -Cl 3 / 99. RY*( 7)Al 2 2.22 0.18 0.080 171. BD*( 1)Al 2 -Cl 3 /100. RY*( 8)Al 2 2.72 0.05 0.048 171. BD*( 1)Al 2 -Cl 3 /107. RY*( 5)Cl 3 2.32 0.50 0.135 171. BD*( 1)Al 2 -Cl 3 /113. RY*( 1)Cl 4 1.58 0.35 0.087 171. BD*( 1)Al 2 -Cl 3 /117. RY*( 5)Cl 4 0.78 0.50 0.078 171. BD*( 1)Al 2 -Cl 3 /160. RY*( 6)Br 8 0.61 0.25 0.049 173. BD*( 1)Al 2 -Cl 6 / 93. RY*( 1)Al 2 3.13 0.41 0.110 173. BD*( 1)Al 2 -Cl 6 / 94. RY*( 2)Al 2 0.72 0.65 0.070 173. BD*( 1)Al 2 -Cl 6 / 96. RY*( 4)Al 2 1.79 0.55 0.106 173. BD*( 1)Al 2 -Cl 6 / 98. RY*( 6)Al 2 1.19 0.06 0.031 173. BD*( 1)Al 2 -Cl 6 /133. RY*( 1)Cl 6 0.72 0.61 0.076 173. BD*( 1)Al 2 -Cl 6 /134. RY*( 2)Cl 6 0.58 0.48 0.060 173. BD*( 1)Al 2 -Cl 6 /171. BD*( 1)Al 2 -Cl 3 0.74 0.18 0.031 173. BD*( 1)Al 2 -Cl 6 /172. BD*( 1)Al 2 -Cl 4 0.74 0.18 0.031 174. BD*( 1)Al 2 -Br 8 / 93. RY*( 1)Al 2 1.78 0.44 0.086 174. BD*( 1)Al 2 -Br 8 / 94. RY*( 2)Al 2 0.64 0.68 0.068 174. BD*( 1)Al 2 -Br 8 / 96. RY*( 4)Al 2 1.35 0.57 0.095 174. BD*( 1)Al 2 -Br 8 / 98. RY*( 6)Al 2 0.98 0.09 0.033 174. BD*( 1)Al 2 -Br 8 /169. BD*( 1)Al 1 -Cl 5 0.93 0.03 0.012 174. BD*( 1)Al 2 -Br 8 /171. BD*( 1)Al 2 -Cl 3 0.75 0.21 0.034 174. BD*( 1)Al 2 -Br 8 /172. BD*( 1)Al 2 -Cl 4 0.75 0.21 0.034 174. BD*( 1)Al 2 -Br 8 /173. BD*( 1)Al 2 -Cl 6 3.91 0.03 0.025 Natural Bond Orbitals (Summary): Principal Delocalizations NBO Occupancy Energy (geminal,vicinal,remote) ==================================================================================== Molecular unit 1 (Al2Cl4Br2) 1. BD ( 1)Al 1 -Cl 3 1.96948 -1.23982 171(g),172(v),174(v),173(v) 168(g),167(g),97(v),96(v) 87(g),86(g) 2. BD ( 1)Al 1 -Cl 4 1.96947 -1.23975 172(g),171(v),174(v),173(v) 167(g),168(g),97(v),96(v) 87(g),86(g) 3. BD ( 1)Al 1 -Cl 5 1.97892 -0.59456 168(g),167(g),172(v),171(v) 84(g),170(g) 4. BD ( 1)Al 1 -Br 7 1.97439 -0.54487 168(g),167(g),84(g),171(v) 172(v),169(g),103(v),113(v) 5. BD ( 1)Al 2 -Cl 3 1.96947 -1.23977 167(g),168(v),170(v),169(v) 172(g),171(g),87(v),86(v) 97(g),96(g) 6. BD ( 1)Al 2 -Cl 4 1.96948 -1.23981 168(g),167(v),170(v),169(v) 171(g),172(g),87(v),86(v) 97(g),96(g) 7. BD ( 1)Al 2 -Cl 6 1.97891 -0.59456 171(g),172(g),167(v),168(v) 94(g),174(g) 8. BD ( 1)Al 2 -Br 8 1.97440 -0.54487 171(g),172(g),94(g),167(v) 168(v),173(g),103(v),113(v) 9. CR ( 1)Al 1 2.00000 -55.47643 171(v),172(v) 10. CR ( 2)Al 1 1.99507 -4.82852 171(v),172(v),170(g),169(g) 167(g),168(g),174(r),173(r) 11. CR ( 3)Al 1 1.99830 -2.82833 170(g),167(g),168(g) 12. CR ( 4)Al 1 1.99926 -2.82652 169(g) 13. CR ( 5)Al 1 1.99916 -2.82680 172(v),171(v) 14. CR ( 1)Al 2 2.00000 -55.47643 167(v),168(v) 15. CR ( 2)Al 2 1.99507 -4.82852 168(v),167(v),174(g),173(g) 172(g),171(g),170(r),169(r) 16. CR ( 3)Al 2 1.99830 -2.82833 174(g),172(g),171(g) 17. CR ( 4)Al 2 1.99926 -2.82652 173(g) 18. CR ( 5)Al 2 1.99916 -2.82680 167(v),168(v) 19. CR ( 1)Cl 3 2.00000 -100.15369 20. CR ( 2)Cl 3 1.99913 -10.35665 167(g),171(g),106(g),87(v) 97(v),168(v),172(v),96(v) 86(v),94(v),84(v) 21. CR ( 3)Cl 3 1.99969 -7.34119 22. CR ( 4)Cl 3 1.99973 -7.33897 23. CR ( 5)Cl 3 1.99947 -7.34227 168(v),172(v),167(g),171(g) 24. CR ( 1)Cl 4 2.00000 -100.15369 25. CR ( 2)Cl 4 1.99913 -10.35663 172(g),168(g),116(g),87(v) 97(v),171(v),167(v),86(v) 96(v),84(v),94(v) 26. CR ( 3)Cl 4 1.99969 -7.34118 27. CR ( 4)Cl 4 1.99973 -7.33896 28. CR ( 5)Cl 4 1.99947 -7.34226 171(v),167(v),172(g),168(g) 29. CR ( 1)Cl 5 2.00000 -100.58452 30. CR ( 2)Cl 5 1.99987 -10.15968 31. CR ( 3)Cl 5 1.99999 -7.20743 32. CR ( 4)Cl 5 1.99996 -7.21130 33. CR ( 5)Cl 5 1.99999 -7.20748 34. CR ( 1)Cl 6 2.00000 -100.58455 35. CR ( 2)Cl 6 1.99987 -10.15966 36. CR ( 3)Cl 6 1.99999 -7.20744 37. CR ( 4)Cl 6 1.99996 -7.21130 38. CR ( 5)Cl 6 1.99999 -7.20748 39. CR ( 1)Br 7 2.00000 -476.55438 40. CR ( 2)Br 7 1.99995 -58.01576 88(v),91(v) 41. CR ( 3)Br 7 1.99980 -18.50308 91(v) 42. CR ( 4)Br 7 1.99999 -54.72193 43. CR ( 5)Br 7 1.99994 -8.19509 44. CR ( 6)Br 7 1.99999 -54.72075 45. CR ( 7)Br 7 1.99998 -8.19207 46. CR ( 8)Br 7 2.00000 -54.72033 47. CR ( 9)Br 7 1.99999 -8.19121 48. CR ( 10)Br 7 1.99995 -2.64701 49. CR ( 11)Br 7 1.99999 -2.64612 50. CR ( 12)Br 7 2.00000 -2.64310 51. CR ( 13)Br 7 1.99997 -2.64702 52. CR ( 14)Br 7 1.99998 -2.64379 53. CR ( 1)Br 8 2.00000 -476.55438 54. CR ( 2)Br 8 1.99995 -58.01611 98(v),101(v) 55. CR ( 3)Br 8 1.99980 -18.50276 101(v) 56. CR ( 4)Br 8 1.99999 -54.72172 57. CR ( 5)Br 8 1.99994 -8.19532 58. CR ( 6)Br 8 1.99999 -54.72054 59. CR ( 7)Br 8 1.99998 -8.19230 60. CR ( 8)Br 8 2.00000 -54.72012 61. CR ( 9)Br 8 1.99999 -8.19144 62. CR ( 10)Br 8 1.99995 -2.64702 63. CR ( 11)Br 8 1.99999 -2.64613 64. CR ( 12)Br 8 2.00000 -2.64310 65. CR ( 13)Br 8 1.99997 -2.64703 66. CR ( 14)Br 8 1.99998 -2.64380 67. LP ( 1)Cl 3 1.93480 -0.69005 172(v),168(v),94(v),84(v) 103(g),113(r),87(v),97(v) 173(v),170(v),174(v),169(v) 106(g) 68. LP ( 2)Cl 3 1.81037 -0.52074 169(v),173(v),174(v),170(v) 83(v),93(v),104(g),95(v) 85(v),109(g) 69. LP ( 1)Cl 4 1.93480 -0.69005 167(v),171(v),84(v),94(v) 113(g),103(r),97(v),87(v) 169(v),173(v),170(v),174(v) 116(g) 70. LP ( 2)Cl 4 1.81037 -0.52073 169(v),173(v),174(v),170(v) 93(v),83(v),114(g),85(v) 95(v),119(g) 71. LP ( 1)Cl 5 1.99470 -0.87246 72. LP ( 2)Cl 5 1.94956 -0.32636 168(v),167(v),85(v) 73. LP ( 3)Cl 5 1.94800 -0.32400 170(v),167(v),168(v),84(v) 74. LP ( 1)Cl 6 1.99470 -0.87246 75. LP ( 2)Cl 6 1.94957 -0.32637 172(v),171(v),95(v) 76. LP ( 3)Cl 6 1.94800 -0.32401 174(v),171(v),172(v),94(v) 77. LP ( 1)Br 7 1.99468 -0.89913 78. LP ( 2)Br 7 1.94483 -0.30327 167(v),168(v),85(v) 79. LP ( 3)Br 7 1.94346 -0.30077 169(v),168(v),167(v),84(v) 80. LP ( 1)Br 8 1.99468 -0.89914 81. LP ( 2)Br 8 1.94483 -0.30328 171(v),172(v),95(v) 82. LP ( 3)Br 8 1.94346 -0.30077 173(v),172(v),171(v),94(v) 83. RY*( 1)Al 1 0.04492 0.49900 84. RY*( 2)Al 1 0.02891 0.73970 85. RY*( 3)Al 1 0.01680 0.46553 86. RY*( 4)Al 1 0.01606 0.63733 87. RY*( 5)Al 1 0.01338 0.86549 88. RY*( 6)Al 1 0.00402 0.15232 89. RY*( 7)Al 1 0.00126 0.45777 90. RY*( 8)Al 1 0.00045 0.32644 91. RY*( 9)Al 1 0.00039 0.43485 92. RY*( 10)Al 1 0.00012 1.89447 93. RY*( 1)Al 2 0.04492 0.49899 94. RY*( 2)Al 2 0.02891 0.73971 95. RY*( 3)Al 2 0.01680 0.46552 96. RY*( 4)Al 2 0.01607 0.63732 97. RY*( 5)Al 2 0.01338 0.86548 98. RY*( 6)Al 2 0.00401 0.15233 99. RY*( 7)Al 2 0.00126 0.45783 100. RY*( 8)Al 2 0.00045 0.32646 101. RY*( 9)Al 2 0.00039 0.43490 102. RY*( 10)Al 2 0.00012 1.89448 103. RY*( 1)Cl 3 0.01448 0.61954 104. RY*( 2)Cl 3 0.00373 0.47843 105. RY*( 3)Cl 3 0.00307 0.81525 106. RY*( 4)Cl 3 0.00133 0.72023 107. RY*( 5)Cl 3 0.00060 0.76997 108. RY*( 6)Cl 3 0.00021 1.03435 109. RY*( 7)Cl 3 0.00020 0.77016 110. RY*( 8)Cl 3 0.00009 0.75277 111. RY*( 9)Cl 3 0.00007 0.79914 112. RY*( 10)Cl 3 0.00002 4.07595 113. RY*( 1)Cl 4 0.01448 0.61953 114. RY*( 2)Cl 4 0.00373 0.47843 115. RY*( 3)Cl 4 0.00307 0.81526 116. RY*( 4)Cl 4 0.00133 0.72023 117. RY*( 5)Cl 4 0.00060 0.76999 118. RY*( 6)Cl 4 0.00021 1.03429 119. RY*( 7)Cl 4 0.00020 0.77013 120. RY*( 8)Cl 4 0.00009 0.75283 121. RY*( 9)Cl 4 0.00007 0.79913 122. RY*( 10)Cl 4 0.00002 4.07598 123. RY*( 1)Cl 5 0.00045 0.70302 124. RY*( 2)Cl 5 0.00025 0.56627 125. RY*( 3)Cl 5 0.00012 0.59509 126. RY*( 4)Cl 5 0.00008 0.77181 127. RY*( 5)Cl 5 0.00006 0.70463 128. RY*( 6)Cl 5 0.00003 0.82497 129. RY*( 7)Cl 5 0.00002 1.46208 130. RY*( 8)Cl 5 0.00000 3.80323 131. RY*( 9)Cl 5 0.00001 0.86487 132. RY*( 10)Cl 5 0.00000 0.90490 133. RY*( 1)Cl 6 0.00045 0.70299 134. RY*( 2)Cl 6 0.00025 0.56626 135. RY*( 3)Cl 6 0.00012 0.59510 136. RY*( 4)Cl 6 0.00008 0.77238 137. RY*( 5)Cl 6 0.00006 0.70408 138. RY*( 6)Cl 6 0.00003 0.82494 139. RY*( 7)Cl 6 0.00002 1.46208 140. RY*( 8)Cl 6 0.00000 3.80326 141. RY*( 9)Cl 6 0.00001 0.86486 142. RY*( 10)Cl 6 0.00000 0.90489 143. RY*( 1)Br 7 0.00047 1.63664 144. RY*( 2)Br 7 0.00021 4.06048 145. RY*( 3)Br 7 0.00013 5.21164 146. RY*( 4)Br 7 0.00007 0.90365 147. RY*( 5)Br 7 0.00005 0.57876 148. RY*( 6)Br 7 0.00003 0.52308 149. RY*( 7)Br 7 0.00003 0.48459 150. RY*( 8)Br 7 0.00003 0.56275 151. RY*( 9)Br 7 0.00001 1.25184 152. RY*( 10)Br 7 0.00000 42.35490 153. RY*( 11)Br 7 0.00001 9.64264 154. RY*( 12)Br 7 0.00000 24.06769 155. RY*( 1)Br 8 0.00047 1.63659 156. RY*( 2)Br 8 0.00021 4.06335 157. RY*( 3)Br 8 0.00013 5.21224 158. RY*( 4)Br 8 0.00007 0.90317 159. RY*( 5)Br 8 0.00005 0.57878 160. RY*( 6)Br 8 0.00003 0.52306 161. RY*( 7)Br 8 0.00003 0.48459 162. RY*( 8)Br 8 0.00003 0.56274 163. RY*( 9)Br 8 0.00001 1.25163 164. RY*( 10)Br 8 0.00000 42.35355 165. RY*( 11)Br 8 0.00001 9.64072 166. RY*( 12)Br 8 0.00000 24.06817 167. BD*( 1)Al 1 -Cl 3 0.10000 0.27282 168. BD*( 1)Al 1 -Cl 4 0.10000 0.27285 172(g),171(v),167(g),86(g) 87(g),84(g),90(g),117(g) 89(g),103(v),101(v),99(v) 107(v),148(v) 169. BD*( 1)Al 1 -Cl 5 0.12398 0.08842 173(r),83(g),170(g),86(g) 88(g),123(g),84(g),124(g) 170. BD*( 1)Al 1 -Br 7 0.12209 0.06316 174(r),169(g),83(g),86(g) 88(g),84(g) 171. BD*( 1)Al 2 -Cl 3 0.10000 0.27284 172(g),167(g),168(v),96(g) 97(g),94(g),100(g),107(g) 99(g),113(v),91(v),89(v) 117(v),160(v) 172. BD*( 1)Al 2 -Cl 4 0.10000 0.27283 173. BD*( 1)Al 2 -Cl 6 0.12398 0.08842 169(r),93(g),174(g),96(g) 98(g),133(g),94(g),134(g) 174. BD*( 1)Al 2 -Br 8 0.12208 0.06315 170(r),173(g),93(g),96(g) 98(g),94(g) ------------------------------- Total Lewis 162.80356 ( 99.2705%) Valence non-Lewis 0.89213 ( 0.5440%) Rydberg non-Lewis 0.30431 ( 0.1856%) ------------------------------- Total unit 1 164.00000 (100.0000%) Charge unit 1 0.00000 Calling FoFJK, ICntrl= 2127 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 13 -0.725410184 -0.725629326 -0.002852392 2 13 0.725456625 0.725607059 0.003077621 3 17 -0.798185240 0.798264094 -0.000244719 4 17 0.798136510 -0.798257977 0.000027919 5 17 0.012042021 0.012063003 -0.020330045 6 17 -0.012048628 -0.012043827 0.020330233 7 35 0.011405941 0.011409637 0.020993996 8 35 -0.011397045 -0.011412664 -0.021002612 ------------------------------------------------------------------- Cartesian Forces: Max 0.798264094 RMS 0.440498819 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.750211593 RMS 0.258411835 Search for a local minimum. Step number 1 out of a maximum of 44 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Second derivative matrix not updated -- first step. ITU= 0 Eigenvalues --- 0.08882 0.08882 0.10119 0.15436 0.17088 Eigenvalues --- 0.17088 0.18384 0.18385 0.18385 0.18386 Eigenvalues --- 0.19050 0.19422 0.19938 0.25000 2.21012 Eigenvalues --- 2.34775 2.84057 2.84151 RFO step: Lambda=-6.64161080D-01 EMin= 8.88201646D-02 Linear search not attempted -- first point. Maximum step size ( 0.300) exceeded in Quadratic search. -- Step size scaled by 0.659 Iteration 1 RMS(Cart)= 0.04000592 RMS(Int)= 0.00079196 Iteration 2 RMS(Cart)= 0.00112650 RMS(Int)= 0.00005377 Iteration 3 RMS(Cart)= 0.00000045 RMS(Int)= 0.00005376 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.91620 0.75021 0.00000 0.14110 0.14110 3.05730 R2 2.91631 0.75005 0.00000 0.14112 0.14112 3.05743 R3 4.23299 -0.02643 0.00000 -0.02087 -0.02087 4.21211 R4 4.51645 -0.02646 0.00000 -0.02317 -0.02317 4.49327 R5 2.91628 0.75009 0.00000 0.14111 0.14111 3.05739 R6 2.91621 0.75021 0.00000 0.14110 0.14110 3.05731 R7 4.23299 -0.02643 0.00000 -0.02087 -0.02087 4.21212 R8 4.51645 -0.02647 0.00000 -0.02318 -0.02318 4.49327 A1 1.57082 0.05952 0.00000 0.04332 0.04334 1.61416 A2 1.99129 -0.01552 0.00000 -0.01103 -0.01104 1.98025 A3 1.99112 -0.01419 0.00000 -0.00996 -0.00999 1.98113 A4 1.99085 -0.01550 0.00000 -0.01102 -0.01102 1.97982 A5 1.99117 -0.01419 0.00000 -0.00996 -0.00999 1.98118 A6 1.91132 0.00490 0.00000 0.00256 0.00240 1.91373 A7 1.57083 0.05951 0.00000 0.04332 0.04334 1.61417 A8 1.99094 -0.01549 0.00000 -0.01101 -0.01102 1.97992 A9 1.99107 -0.01419 0.00000 -0.00996 -0.00999 1.98108 A10 1.99091 -0.01549 0.00000 -0.01101 -0.01101 1.97989 A11 1.99130 -0.01420 0.00000 -0.00997 -0.01000 1.98130 A12 1.91148 0.00489 0.00000 0.00255 0.00239 1.91387 A13 1.57077 -0.05952 0.00000 -0.04332 -0.04334 1.52743 A14 1.57076 -0.05950 0.00000 -0.04332 -0.04334 1.52742 D1 -0.00017 0.00001 0.00000 0.00001 0.00001 -0.00017 D2 2.03373 0.00896 0.00000 0.00688 0.00680 2.04053 D3 -2.03440 -0.01070 0.00000 -0.00829 -0.00822 -2.04262 D4 0.00017 -0.00001 0.00000 -0.00001 -0.00001 0.00017 D5 -2.03413 -0.00892 0.00000 -0.00685 -0.00677 -2.04090 D6 2.03436 0.01070 0.00000 0.00829 0.00822 2.04258 D7 0.00017 -0.00001 0.00000 -0.00001 -0.00001 0.00017 D8 2.03408 0.00894 0.00000 0.00687 0.00678 2.04086 D9 -2.03420 -0.01070 0.00000 -0.00829 -0.00822 -2.04242 D10 -0.00017 0.00001 0.00000 0.00001 0.00001 -0.00017 D11 -2.03410 -0.00893 0.00000 -0.00686 -0.00678 -2.04088 D12 2.03399 0.01072 0.00000 0.00830 0.00824 2.04223 Item Value Threshold Converged? Maximum Force 0.750212 0.000450 NO RMS Force 0.258412 0.000300 NO Maximum Displacement 0.103336 0.001800 NO RMS Displacement 0.039902 0.001200 NO Predicted change in Energy=-3.235879D-01 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 13 0 -0.843053 0.329623 0.909679 2 13 0 0.739360 1.912053 0.911329 3 17 0 -0.878164 1.947098 0.910225 4 17 0 0.774491 0.294575 0.910511 5 17 0 -1.750365 -0.578269 2.731973 6 17 0 1.647171 2.819536 -0.910922 7 35 0 -1.811902 -0.639485 -1.033463 8 35 0 1.707665 2.881212 2.854714 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 Al 0.000000 2 Al 2.237882 0.000000 3 Cl 1.617856 1.617904 0.000000 4 Cl 1.617924 1.617859 2.337113 0.000000 5 Cl 2.228955 3.964237 3.233725 3.233338 0.000000 6 Cl 3.964274 2.228957 3.233426 3.233360 6.029844 7 Br 2.377738 4.098963 3.367522 3.367630 3.766436 8 Br 4.098772 2.377736 3.367509 3.367704 4.892959 6 7 8 6 Cl 0.000000 7 Br 4.893366 0.000000 8 Br 3.766627 6.316691 0.000000 Stoichiometry Al2Br2Cl4 Framework group C1[X(Al2Br2Cl4)] Deg. of freedom 18 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 13 0 1.001208 -0.499462 -0.000086 2 13 0 -1.001302 0.499572 0.000128 3 17 0 -0.000029 0.000264 -1.168527 4 17 0 0.000046 0.000094 1.168586 5 17 0 1.334620 -2.703339 0.000326 6 17 0 -1.334790 2.703440 0.000360 7 35 0 3.095711 0.626015 -0.000179 8 35 0 -3.095601 -0.626279 -0.000198 --------------------------------------------------------------------- Rotational constants (GHZ): 0.7417486 0.2827465 0.2218790 Standard basis: 6-31G(d,p) (6D, 7F) There are 174 symmetry adapted cartesian basis functions of A symmetry. There are 174 symmetry adapted basis functions of A symmetry. 174 basis functions, 478 primitive gaussians, 174 cartesian basis functions 82 alpha electrons 82 beta electrons nuclear repulsion energy 1865.5273183683 Hartrees. NAtoms= 8 NActive= 8 NUniq= 8 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= 174 RedAO= T EigKep= 6.78D-04 NBF= 174 NBsUse= 174 1.00D-06 EigRej= -1.00D+00 NBFU= 174 Initial guess from the checkpoint file: "\\icnas4.cc.ic.ac.uk\mt217\Documents\2ndInorganic\Lwes_acid_bases_miniproject\Isomer5.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 0.999989 0.000000 0.000000 -0.004698 Ang= -0.54 deg. ExpMin= 5.57D-02 ExpMax= 5.74D+05 ExpMxC= 5.74D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 402 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 402 AccDes= 0.00D+00 IRadAn= 4 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=118699583. 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) = -7468.66876085 A.U. after 12 cycles NFock= 12 Conv=0.46D-08 -V/T= 2.0044 Calling FoFJK, ICntrl= 2127 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 13 -0.537555586 -0.537748697 -0.003255616 2 13 0.537595024 0.537726586 0.003413587 3 17 -0.582983750 0.583045073 -0.000173249 4 17 0.582942191 -0.583037675 0.000022430 5 17 0.011358904 0.011378243 -0.018683831 6 17 -0.011365292 -0.011360961 0.018684438 7 35 0.010785031 0.010788340 0.019384526 8 35 -0.010776522 -0.010790909 -0.019392286 ------------------------------------------------------------------- Cartesian Forces: Max 0.583045073 RMS 0.323928902 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.549916826 RMS 0.189089416 Search for a local minimum. Step number 2 out of a maximum of 44 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 1 2 DE= -3.75D-01 DEPred=-3.24D-01 R= 1.16D+00 TightC=F SS= 1.41D+00 RLast= 3.01D-01 DXNew= 5.0454D-01 9.0229D-01 Trust test= 1.16D+00 RLast= 3.01D-01 DXMaxT set to 5.05D-01 ITU= 1 0 Use linear search instead of GDIIS. Linear search step of 0.600 exceeds DXMaxT= 0.505 but not scaled. Quartic linear search produced a step of 2.00000. Iteration 1 RMS(Cart)= 0.05917814 RMS(Int)= 0.02739390 Iteration 2 RMS(Cart)= 0.02527669 RMS(Int)= 0.00032049 Iteration 3 RMS(Cart)= 0.00007728 RMS(Int)= 0.00031680 Iteration 4 RMS(Cart)= 0.00000001 RMS(Int)= 0.00031680 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 3.05730 0.54992 0.28221 0.00000 0.28221 3.33951 R2 3.05743 0.54978 0.28224 0.00000 0.28224 3.33967 R3 4.21211 -0.02453 -0.04175 0.00000 -0.04175 4.17037 R4 4.49327 -0.02464 -0.04634 0.00000 -0.04634 4.44693 R5 3.05739 0.54982 0.28223 0.00000 0.28223 3.33962 R6 3.05731 0.54991 0.28221 0.00000 0.28221 3.33952 R7 4.21212 -0.02452 -0.04174 0.00000 -0.04174 4.17038 R8 4.49327 -0.02464 -0.04635 0.00000 -0.04635 4.44692 A1 1.61416 0.02844 0.08668 0.00000 0.08678 1.70095 A2 1.98025 -0.00843 -0.02207 0.00000 -0.02212 1.95814 A3 1.98113 -0.00723 -0.01998 0.00000 -0.02018 1.96095 A4 1.97982 -0.00841 -0.02204 0.00000 -0.02208 1.95774 A5 1.98118 -0.00723 -0.01998 0.00000 -0.02018 1.96101 A6 1.91373 0.00445 0.00481 0.00000 0.00390 1.91763 A7 1.61417 0.02843 0.08668 0.00000 0.08678 1.70096 A8 1.97992 -0.00840 -0.02203 0.00000 -0.02207 1.95785 A9 1.98108 -0.00723 -0.01998 0.00000 -0.02018 1.96090 A10 1.97989 -0.00840 -0.02203 0.00000 -0.02207 1.95782 A11 1.98130 -0.00724 -0.02000 0.00000 -0.02020 1.96110 A12 1.91387 0.00444 0.00479 0.00000 0.00388 1.91775 A13 1.52743 -0.02844 -0.08668 0.00000 -0.08678 1.44065 A14 1.52742 -0.02842 -0.08668 0.00000 -0.08678 1.44063 D1 -0.00017 0.00001 0.00001 0.00000 0.00001 -0.00015 D2 2.04053 0.00277 0.01359 0.00000 0.01310 2.05363 D3 -2.04262 -0.00443 -0.01644 0.00000 -0.01606 -2.05868 D4 0.00017 -0.00001 -0.00001 0.00000 -0.00001 0.00015 D5 -2.04090 -0.00274 -0.01353 0.00000 -0.01304 -2.05394 D6 2.04258 0.00443 0.01644 0.00000 0.01606 2.05864 D7 0.00017 -0.00001 -0.00001 0.00000 -0.00001 0.00015 D8 2.04086 0.00275 0.01356 0.00000 0.01307 2.05393 D9 -2.04242 -0.00443 -0.01644 0.00000 -0.01606 -2.05847 D10 -0.00017 0.00001 0.00001 0.00000 0.00001 -0.00015 D11 -2.04088 -0.00275 -0.01356 0.00000 -0.01307 -2.05395 D12 2.04223 0.00444 0.01647 0.00000 0.01609 2.05831 Item Value Threshold Converged? Maximum Force 0.549917 0.000450 NO RMS Force 0.189089 0.000300 NO Maximum Displacement 0.213408 0.001800 NO RMS Displacement 0.079387 0.001200 NO Predicted change in Energy=-3.975852D-01 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 13 0 -0.876116 0.296541 0.907991 2 13 0 0.772424 1.945121 0.913009 3 17 0 -0.991090 2.059989 0.910206 4 17 0 0.887421 0.181670 0.910525 5 17 0 -1.771623 -0.599480 2.715049 6 17 0 1.668412 2.840817 -0.893980 7 35 0 -1.832693 -0.660300 -1.017376 8 35 0 1.728470 2.901984 2.838620 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 Al 0.000000 2 Al 2.331421 0.000000 3 Cl 1.767193 1.767253 0.000000 4 Cl 1.767277 1.767198 2.656480 0.000000 5 Cl 2.206864 4.024241 3.307486 3.307117 0.000000 6 Cl 4.024309 2.206870 3.307224 3.307151 6.057605 7 Br 2.353215 4.159476 3.438581 3.438711 3.733420 8 Br 4.159271 2.353208 3.438568 3.438753 4.952391 6 7 8 6 Cl 0.000000 7 Br 4.952856 0.000000 8 Br 3.733584 6.343537 0.000000 Stoichiometry Al2Br2Cl4 Framework group C1[X(Al2Br2Cl4)] Deg. of freedom 18 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 13 0 1.053469 -0.498935 -0.000080 2 13 0 -1.053557 0.499047 0.000124 3 17 0 -0.000021 0.000268 -1.328208 4 17 0 0.000036 0.000093 1.328272 5 17 0 1.420134 -2.675125 0.000285 6 17 0 -1.420352 2.675222 0.000330 7 35 0 3.102898 0.657551 -0.000161 8 35 0 -3.102767 -0.657815 -0.000185 --------------------------------------------------------------------- Rotational constants (GHZ): 0.7169329 0.2739744 0.2194659 Standard basis: 6-31G(d,p) (6D, 7F) There are 174 symmetry adapted cartesian basis functions of A symmetry. There are 174 symmetry adapted basis functions of A symmetry. 174 basis functions, 478 primitive gaussians, 174 cartesian basis functions 82 alpha electrons 82 beta electrons nuclear repulsion energy 1819.6288333741 Hartrees. NAtoms= 8 NActive= 8 NUniq= 8 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= 174 RedAO= T EigKep= 6.77D-04 NBF= 174 NBsUse= 174 1.00D-06 EigRej= -1.00D+00 NBFU= 174 Initial guess from the checkpoint file: "\\icnas4.cc.ic.ac.uk\mt217\Documents\2ndInorganic\Lwes_acid_bases_miniproject\Isomer5.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 0.999969 0.000000 0.000001 -0.007821 Ang= -0.90 deg. ExpMin= 5.57D-02 ExpMax= 5.74D+05 ExpMxC= 5.74D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 402 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 402 AccDes= 0.00D+00 IRadAn= 4 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=118699583. 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) = -7469.13361227 A.U. after 14 cycles NFock= 14 Conv=0.28D-08 -V/T= 2.0048 Calling FoFJK, ICntrl= 2127 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 13 -0.297566227 -0.297705161 -0.003279345 2 13 0.297593504 0.297685808 0.003353096 3 17 -0.297530889 0.297566348 -0.000082345 4 17 0.297501916 -0.297558767 0.000013277 5 17 0.010300264 0.010316738 -0.015278444 6 17 -0.010306403 -0.010302957 0.015279899 7 35 0.009838294 0.009840622 0.016051308 8 35 -0.009830459 -0.009842631 -0.016057447 ------------------------------------------------------------------- Cartesian Forces: Max 0.297705161 RMS 0.172032964 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.287601101 RMS 0.099019657 Search for a local minimum. Step number 3 out of a maximum of 44 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 2 3 ITU= 0 1 0 Use linear search instead of GDIIS. Linear search step of 1.200 exceeds DXMaxT= 0.505 scaled by 0.841 Quartic linear search produced a step of 1.68150. Iteration 1 RMS(Cart)= 0.08589568 RMS(Int)= 0.09174395 Iteration 2 RMS(Cart)= 0.06180605 RMS(Int)= 0.02308373 Iteration 3 RMS(Cart)= 0.02127794 RMS(Int)= 0.00091935 Iteration 4 RMS(Cart)= 0.00000599 RMS(Int)= 0.00091935 Iteration 5 RMS(Cart)= 0.00000000 RMS(Int)= 0.00091935 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 3.33951 0.28760 0.47453 0.00000 0.47453 3.81404 R2 3.33967 0.28751 0.47458 0.00000 0.47458 3.81425 R3 4.17037 -0.02088 -0.07019 0.00000 -0.07019 4.10017 R4 4.44693 -0.02114 -0.07793 0.00000 -0.07793 4.36901 R5 3.33962 0.28754 0.47457 0.00000 0.47457 3.81419 R6 3.33952 0.28760 0.47453 0.00000 0.47453 3.81406 R7 4.17038 -0.02087 -0.07018 0.00000 -0.07018 4.10020 R8 4.44692 -0.02114 -0.07794 0.00000 -0.07794 4.36898 A1 1.70095 -0.01226 0.14592 0.00000 0.14613 1.84708 A2 1.95814 0.00084 -0.03719 0.00000 -0.03734 1.92080 A3 1.96095 0.00187 -0.03393 0.00000 -0.03457 1.92637 A4 1.95774 0.00087 -0.03713 0.00000 -0.03728 1.92046 A5 1.96101 0.00187 -0.03393 0.00000 -0.03456 1.92644 A6 1.91763 0.00514 0.00656 0.00000 0.00389 1.92151 A7 1.70096 -0.01227 0.14592 0.00000 0.14613 1.84709 A8 1.95785 0.00086 -0.03712 0.00000 -0.03727 1.92058 A9 1.96090 0.00187 -0.03394 0.00000 -0.03457 1.92632 A10 1.95782 0.00087 -0.03711 0.00000 -0.03726 1.92056 A11 1.96110 0.00186 -0.03396 0.00000 -0.03460 1.92650 A12 1.91775 0.00513 0.00652 0.00000 0.00386 1.92161 A13 1.44065 0.01226 -0.14592 0.00000 -0.14613 1.29452 A14 1.44063 0.01227 -0.14592 0.00000 -0.14613 1.29450 D1 -0.00015 0.00001 0.00002 0.00000 0.00003 -0.00013 D2 2.05363 -0.00519 0.02203 0.00000 0.02063 2.07426 D3 -2.05868 0.00375 -0.02700 0.00000 -0.02590 -2.08458 D4 0.00015 -0.00001 -0.00002 0.00000 -0.00003 0.00013 D5 -2.05394 0.00521 -0.02193 0.00000 -0.02054 -2.07448 D6 2.05864 -0.00375 0.02700 0.00000 0.02590 2.08453 D7 0.00015 -0.00001 -0.00002 0.00000 -0.00003 0.00013 D8 2.05393 -0.00519 0.02198 0.00000 0.02059 2.07452 D9 -2.05847 0.00375 -0.02700 0.00000 -0.02590 -2.08437 D10 -0.00015 0.00001 0.00002 0.00000 0.00003 -0.00013 D11 -2.05395 0.00520 -0.02197 0.00000 -0.02058 -2.07454 D12 2.05831 -0.00374 0.02705 0.00000 0.02594 2.08426 Item Value Threshold Converged? Maximum Force 0.287601 0.000450 NO RMS Force 0.099020 0.000300 NO Maximum Displacement 0.376728 0.001800 NO RMS Displacement 0.133734 0.001200 NO Predicted change in Energy=-1.007798D-01 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 13 0 -0.912413 0.260215 0.905160 2 13 0 0.808721 1.981425 0.915826 3 17 0 -1.190439 2.259271 0.910182 4 17 0 1.086777 -0.017634 0.910556 5 17 0 -1.789655 -0.617429 2.685009 6 17 0 1.686409 2.858875 -0.863915 7 35 0 -1.850474 -0.678116 -0.988203 8 35 0 1.746280 2.919737 2.809430 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 Al 0.000000 2 Al 2.434128 0.000000 3 Cl 2.018303 2.018384 0.000000 4 Cl 2.018413 2.018311 3.220250 0.000000 5 Cl 2.169718 4.078678 3.432852 3.432536 0.000000 6 Cl 4.078791 2.169731 3.432667 3.432581 6.063215 7 Br 2.311978 4.215424 3.559178 3.559349 3.674217 8 Br 4.215205 2.311965 3.559168 3.559328 5.002985 6 7 8 6 Cl 0.000000 7 Br 5.003528 0.000000 8 Br 3.674338 6.348480 0.000000 Stoichiometry Al2Br2Cl4 Framework group C1[X(Al2Br2Cl4)] Deg. of freedom 18 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 13 0 1.112279 -0.493903 -0.000067 2 13 0 -1.112354 0.494018 0.000114 3 17 0 -0.000003 0.000265 -1.610090 4 17 0 0.000012 0.000083 1.610160 5 17 0 1.514660 -2.625983 0.000217 6 17 0 -1.514942 2.626073 0.000283 7 35 0 3.098543 0.689312 -0.000129 8 35 0 -3.098382 -0.689568 -0.000165 --------------------------------------------------------------------- Rotational constants (GHZ): 0.6728842 0.2625892 0.2184916 Standard basis: 6-31G(d,p) (6D, 7F) There are 174 symmetry adapted cartesian basis functions of A symmetry. There are 174 symmetry adapted basis functions of A symmetry. 174 basis functions, 478 primitive gaussians, 174 cartesian basis functions 82 alpha electrons 82 beta electrons nuclear repulsion energy 1760.3100104578 Hartrees. NAtoms= 8 NActive= 8 NUniq= 8 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= 174 RedAO= T EigKep= 6.74D-04 NBF= 174 NBsUse= 174 1.00D-06 EigRej= -1.00D+00 NBFU= 174 Initial guess from the checkpoint file: "\\icnas4.cc.ic.ac.uk\mt217\Documents\2ndInorganic\Lwes_acid_bases_miniproject\Isomer5.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 0.999959 -0.000001 0.000002 -0.009003 Ang= -1.03 deg. ExpMin= 5.57D-02 ExpMax= 5.74D+05 ExpMxC= 5.74D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 402 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 402 AccDes= 0.00D+00 IRadAn= 4 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=118699583. 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) = -7469.43673169 A.U. after 14 cycles NFock= 14 Conv=0.15D-08 -V/T= 2.0051 Calling FoFJK, ICntrl= 2127 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 13 -0.119691318 -0.119759168 -0.002520961 2 13 0.119704328 0.119746920 0.002535096 3 17 -0.069342338 0.069356203 -0.000016140 4 17 0.069328013 -0.069351096 0.000002273 5 17 0.008962508 0.008974610 -0.008936236 6 17 -0.008968246 -0.008966300 0.008939183 7 35 0.008674533 0.008674990 0.009800407 8 35 -0.008667480 -0.008676159 -0.009803621 ------------------------------------------------------------------- Cartesian Forces: Max 0.119759168 RMS 0.056847243 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.082662372 RMS 0.033564710 Search for a local minimum. Step number 4 out of a maximum of 44 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 3 4 ITU= 0 0 1 0 Use linear search instead of GDIIS. Linear search step of 2.019 exceeds DXMaxT= 0.505 scaled by 0.500 Quartic linear search produced a step of 0.99980. Iteration 1 RMS(Cart)= 0.09840784 RMS(Int)= 0.09172366 Iteration 2 RMS(Cart)= 0.05888593 RMS(Int)= 0.02307426 Iteration 3 RMS(Cart)= 0.02039870 RMS(Int)= 0.00110587 Iteration 4 RMS(Cart)= 0.00000527 RMS(Int)= 0.00110587 Iteration 5 RMS(Cart)= 0.00000000 RMS(Int)= 0.00110587 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 3.81404 0.08266 0.47444 0.00000 0.47443 4.28847 R2 3.81425 0.08262 0.47449 0.00000 0.47449 4.28873 R3 4.10017 -0.01458 -0.07018 0.00000 -0.07018 4.02999 R4 4.36901 -0.01507 -0.07791 0.00000 -0.07791 4.29110 R5 3.81419 0.08264 0.47447 0.00000 0.47447 4.28867 R6 3.81406 0.08266 0.47444 0.00000 0.47444 4.28850 R7 4.10020 -0.01459 -0.07017 0.00000 -0.07017 4.03003 R8 4.36898 -0.01507 -0.07792 0.00000 -0.07792 4.29106 A1 1.84708 -0.04552 0.14610 0.00000 0.14623 1.99331 A2 1.92080 0.00829 -0.03733 0.00000 -0.03757 1.88324 A3 1.92637 0.00912 -0.03457 0.00000 -0.03544 1.89094 A4 1.92046 0.00832 -0.03727 0.00000 -0.03750 1.88297 A5 1.92644 0.00911 -0.03456 0.00000 -0.03543 1.89101 A6 1.92151 0.00902 0.00389 0.00000 0.00065 1.92216 A7 1.84709 -0.04553 0.14610 0.00000 0.14623 1.99332 A8 1.92058 0.00831 -0.03726 0.00000 -0.03750 1.88309 A9 1.92632 0.00912 -0.03457 0.00000 -0.03544 1.89089 A10 1.92056 0.00831 -0.03725 0.00000 -0.03749 1.88307 A11 1.92650 0.00911 -0.03460 0.00000 -0.03547 1.89103 A12 1.92161 0.00902 0.00385 0.00000 0.00062 1.92223 A13 1.29452 0.04553 -0.14610 0.00000 -0.14623 1.14828 A14 1.29450 0.04553 -0.14610 0.00000 -0.14623 1.14827 D1 -0.00013 0.00000 0.00003 0.00000 0.00003 -0.00010 D2 2.07426 -0.01186 0.02063 0.00000 0.01899 2.09325 D3 -2.08458 0.01095 -0.02589 0.00000 -0.02459 -2.10917 D4 0.00013 0.00000 -0.00003 0.00000 -0.00003 0.00010 D5 -2.07448 0.01187 -0.02054 0.00000 -0.01892 -2.09340 D6 2.08453 -0.01094 0.02589 0.00000 0.02459 2.10913 D7 0.00013 0.00000 -0.00003 0.00000 -0.00003 0.00010 D8 2.07452 -0.01186 0.02059 0.00000 0.01896 2.09348 D9 -2.08437 0.01094 -0.02590 0.00000 -0.02460 -2.10897 D10 -0.00013 0.00000 0.00003 0.00000 0.00003 -0.00010 D11 -2.07454 0.01186 -0.02058 0.00000 -0.01896 -2.09349 D12 2.08426 -0.01094 0.02594 0.00000 0.02463 2.10889 Item Value Threshold Converged? Maximum Force 0.082662 0.000450 NO RMS Force 0.033565 0.000300 NO Maximum Displacement 0.394825 0.001800 NO RMS Displacement 0.137230 0.001200 NO Predicted change in Energy=-7.661852D-02 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 13 0 -0.923348 0.249257 0.902522 2 13 0 0.819655 1.992361 0.918449 3 17 0 -1.399366 2.468121 0.910167 4 17 0 1.295709 -0.226506 0.910597 5 17 0 -1.784203 -0.611890 2.653308 6 17 0 1.680916 2.853433 -0.832199 7 35 0 -1.845334 -0.673002 -0.956426 8 35 0 1.741174 2.914571 2.777628 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 Al 0.000000 2 Al 2.465102 0.000000 3 Cl 2.269363 2.269465 0.000000 4 Cl 2.269500 2.269375 3.811095 0.000000 5 Cl 2.132580 4.070865 3.559931 3.559694 0.000000 6 Cl 4.071017 2.132600 3.559838 3.559740 6.013674 7 Br 2.270750 4.209689 3.680993 3.681207 3.610768 8 Br 4.209465 2.270730 3.680994 3.681115 4.987952 6 7 8 6 Cl 0.000000 7 Br 4.988549 0.000000 8 Br 3.610848 6.298959 0.000000 Stoichiometry Al2Br2Cl4 Framework group C1[X(Al2Br2Cl4)] Deg. of freedom 18 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 13 0 1.133015 -0.485112 -0.000052 2 13 0 -1.133075 0.485231 0.000102 3 17 0 0.000025 0.000252 -1.905509 4 17 0 -0.000024 0.000064 1.905586 5 17 0 1.549682 -2.576591 0.000152 6 17 0 -1.550012 2.576677 0.000238 7 35 0 3.071237 0.697935 -0.000094 8 35 0 -3.071055 -0.698174 -0.000151 --------------------------------------------------------------------- Rotational constants (GHZ): 0.6261308 0.2551562 0.2216664 Standard basis: 6-31G(d,p) (6D, 7F) There are 174 symmetry adapted cartesian basis functions of A symmetry. There are 174 symmetry adapted basis functions of A symmetry. 174 basis functions, 478 primitive gaussians, 174 cartesian basis functions 82 alpha electrons 82 beta electrons nuclear repulsion energy 1719.0955889043 Hartrees. NAtoms= 8 NActive= 8 NUniq= 8 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= 174 RedAO= T EigKep= 6.69D-04 NBF= 174 NBsUse= 174 1.00D-06 EigRej= -1.00D+00 NBFU= 174 Initial guess from the checkpoint file: "\\icnas4.cc.ic.ac.uk\mt217\Documents\2ndInorganic\Lwes_acid_bases_miniproject\Isomer5.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 0.999990 -0.000001 0.000002 -0.004472 Ang= -0.51 deg. ExpMin= 5.57D-02 ExpMax= 5.74D+05 ExpMxC= 5.74D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 402 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 402 AccDes= 0.00D+00 IRadAn= 4 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=118699583. 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) = -7469.47889088 A.U. after 13 cycles NFock= 13 Conv=0.28D-08 -V/T= 2.0053 Calling FoFJK, ICntrl= 2127 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 13 -0.062623054 -0.062647855 -0.001724347 2 13 0.062627977 0.062642300 0.001720788 3 17 0.013349684 -0.013342647 0.000003066 4 17 -0.013355983 0.013345045 -0.000004395 5 17 0.007510161 0.007517962 -0.001443442 6 17 -0.007515139 -0.007514660 0.001448063 7 35 0.007298874 0.007297312 0.002280265 8 35 -0.007292520 -0.007297458 -0.002279998 ------------------------------------------------------------------- Cartesian Forces: Max 0.062647855 RMS 0.026508470 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.061399667 RMS 0.023767992 Search for a local minimum. Step number 5 out of a maximum of 44 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 4 5 ITU= 0 0 0 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.08882 0.08945 0.10119 0.13132 0.14465 Eigenvalues --- 0.16553 0.17088 0.17276 0.18556 0.18822 Eigenvalues --- 0.21443 0.21443 0.21492 0.21492 0.27697 Eigenvalues --- 2.17142 2.72829 2.84104 RFO step: Lambda=-6.21588839D-02 EMin= 8.88201647D-02 Quartic linear search produced a step of -0.21642. Iteration 1 RMS(Cart)= 0.12792099 RMS(Int)= 0.00992779 Iteration 2 RMS(Cart)= 0.01202430 RMS(Int)= 0.00185188 Iteration 3 RMS(Cart)= 0.00008746 RMS(Int)= 0.00185097 Iteration 4 RMS(Cart)= 0.00000007 RMS(Int)= 0.00185097 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 4.28847 0.01045 -0.10268 0.05152 -0.05116 4.23731 R2 4.28873 0.01044 -0.10269 0.05152 -0.05117 4.23756 R3 4.02999 -0.00726 0.01519 -0.03901 -0.02382 4.00617 R4 4.29110 -0.00779 0.01686 -0.05981 -0.04295 4.24814 R5 4.28867 0.01044 -0.10269 0.05152 -0.05117 4.23750 R6 4.28850 0.01044 -0.10268 0.05152 -0.05116 4.23733 R7 4.03003 -0.00726 0.01519 -0.03903 -0.02384 4.00619 R8 4.29106 -0.00779 0.01686 -0.05979 -0.04293 4.24813 A1 1.99331 -0.06140 -0.03165 -0.18714 -0.22021 1.77309 A2 1.88324 0.01182 0.00813 0.02982 0.03462 1.91785 A3 1.89094 0.01256 0.00767 0.03276 0.03737 1.92831 A4 1.88297 0.01184 0.00812 0.02989 0.03467 1.91764 A5 1.89101 0.01255 0.00767 0.03273 0.03734 1.92836 A6 1.92216 0.01425 -0.00014 0.06845 0.06467 1.98684 A7 1.99332 -0.06140 -0.03165 -0.18714 -0.22022 1.77311 A8 1.88309 0.01183 0.00812 0.02986 0.03464 1.91773 A9 1.89089 0.01256 0.00767 0.03276 0.03737 1.92826 A10 1.88307 0.01184 0.00811 0.02987 0.03466 1.91772 A11 1.89103 0.01255 0.00768 0.03272 0.03735 1.92838 A12 1.92223 0.01424 -0.00013 0.06843 0.06466 1.98688 A13 1.14828 0.06140 0.03165 0.18714 0.22022 1.36850 A14 1.14827 0.06140 0.03165 0.18714 0.22022 1.36848 D1 -0.00010 0.00000 -0.00001 0.00001 0.00000 -0.00010 D2 2.09325 -0.01547 -0.00411 -0.05937 -0.06340 2.02985 D3 -2.10917 0.01510 0.00532 0.05708 0.06252 -2.04665 D4 0.00010 0.00000 0.00001 -0.00001 0.00000 0.00010 D5 -2.09340 0.01547 0.00409 0.05937 0.06339 -2.03001 D6 2.10913 -0.01510 -0.00532 -0.05707 -0.06251 2.04662 D7 0.00010 0.00000 0.00001 -0.00001 0.00000 0.00010 D8 2.09348 -0.01547 -0.00410 -0.05935 -0.06338 2.03010 D9 -2.10897 0.01510 0.00532 0.05706 0.06251 -2.04647 D10 -0.00010 0.00000 -0.00001 0.00001 0.00000 -0.00010 D11 -2.09349 0.01547 0.00410 0.05936 0.06339 -2.03011 D12 2.10889 -0.01510 -0.00533 -0.05706 -0.06251 2.04638 Item Value Threshold Converged? Maximum Force 0.061400 0.000450 NO RMS Force 0.023768 0.000300 NO Maximum Displacement 0.246966 0.001800 NO RMS Displacement 0.137986 0.001200 NO Predicted change in Energy=-3.807585D-02 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 13 0 -1.054014 0.118568 0.900260 2 13 0 0.950318 2.123046 0.920720 3 17 0 -1.280596 2.349358 0.910194 4 17 0 1.176933 -0.107750 0.910573 5 17 0 -1.869311 -0.696955 2.679166 6 17 0 1.765968 2.938528 -0.858052 7 35 0 -1.924486 -0.752213 -0.980596 8 35 0 1.820392 2.993762 2.801781 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 Al 0.000000 2 Al 2.834730 0.000000 3 Cl 2.242289 2.242387 0.000000 4 Cl 2.242421 2.242300 3.475173 0.000000 5 Cl 2.119975 4.358307 3.571536 3.571370 0.000000 6 Cl 4.358456 2.119983 3.571466 3.571388 6.240505 7 Br 2.248021 4.488497 3.689095 3.689261 3.660595 8 Br 4.488289 2.248014 3.689103 3.689185 5.220185 6 7 8 6 Cl 0.000000 7 Br 5.220731 0.000000 8 Br 3.660655 6.508672 0.000000 Stoichiometry Al2Br2Cl4 Framework group C1[X(Al2Br2Cl4)] Deg. of freedom 18 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 13 0 1.319326 -0.517857 -0.000051 2 13 0 -1.319383 0.517957 0.000088 3 17 0 0.000025 0.000206 -1.737554 4 17 0 -0.000020 0.000098 1.737619 5 17 0 1.727731 -2.598121 0.000145 6 17 0 -1.728042 2.598179 0.000171 7 35 0 3.162045 0.769770 -0.000079 8 35 0 -3.161875 -0.769983 -0.000120 --------------------------------------------------------------------- Rotational constants (GHZ): 0.6393703 0.2414845 0.2053618 Standard basis: 6-31G(d,p) (6D, 7F) There are 174 symmetry adapted cartesian basis functions of A symmetry. There are 174 symmetry adapted basis functions of A symmetry. 174 basis functions, 478 primitive gaussians, 174 cartesian basis functions 82 alpha electrons 82 beta electrons nuclear repulsion energy 1699.0951463246 Hartrees. NAtoms= 8 NActive= 8 NUniq= 8 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= 174 RedAO= T EigKep= 6.76D-04 NBF= 174 NBsUse= 174 1.00D-06 EigRej= -1.00D+00 NBFU= 174 Initial guess from the checkpoint file: "\\icnas4.cc.ic.ac.uk\mt217\Documents\2ndInorganic\Lwes_acid_bases_miniproject\Isomer5.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 0.999923 0.000007 0.000000 -0.012412 Ang= 1.42 deg. ExpMin= 5.57D-02 ExpMax= 5.74D+05 ExpMxC= 5.74D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 402 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 402 AccDes= 0.00D+00 IRadAn= 4 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=118699583. 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) = -7469.52285178 A.U. after 13 cycles NFock= 13 Conv=0.14D-08 -V/T= 2.0053 Calling FoFJK, ICntrl= 2127 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 13 -0.030494577 -0.030518277 0.000349021 2 13 0.030501046 0.030513071 -0.000349502 3 17 0.002015671 -0.002007681 0.000001086 4 17 -0.002022566 0.002010170 -0.000001959 5 17 0.004923652 0.004929104 -0.001170326 6 17 -0.004926359 -0.004926054 0.001172384 7 35 0.003772012 0.003771059 -0.000042836 8 35 -0.003768879 -0.003771391 0.000042131 ------------------------------------------------------------------- Cartesian Forces: Max 0.030518277 RMS 0.012740704 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.023433449 RMS 0.009823019 Search for a local minimum. Step number 6 out of a maximum of 44 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 5 6 DE= -4.40D-02 DEPred=-3.81D-02 R= 1.15D+00 TightC=F SS= 1.41D+00 RLast= 5.10D-01 DXNew= 8.4853D-01 1.5289D+00 Trust test= 1.15D+00 RLast= 5.10D-01 DXMaxT set to 8.49D-01 ITU= 1 0 0 0 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.08882 0.09017 0.10119 0.12854 0.14457 Eigenvalues --- 0.16233 0.17088 0.17667 0.18338 0.19493 Eigenvalues --- 0.19816 0.19816 0.19872 0.19872 0.25853 Eigenvalues --- 2.37301 2.66226 2.84104 RFO step: Lambda=-3.05621094D-03 EMin= 8.88201648D-02 Quartic linear search produced a step of 1.14968. Iteration 1 RMS(Cart)= 0.11463213 RMS(Int)= 0.01867290 Iteration 2 RMS(Cart)= 0.02990104 RMS(Int)= 0.00587021 Iteration 3 RMS(Cart)= 0.00035780 RMS(Int)= 0.00585945 Iteration 4 RMS(Cart)= 0.00000095 RMS(Int)= 0.00585945 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 4.23731 0.00865 -0.05882 0.02126 -0.03756 4.19975 R2 4.23756 0.00864 -0.05883 0.02125 -0.03758 4.19998 R3 4.00617 -0.00477 -0.02739 -0.02421 -0.05159 3.95458 R4 4.24814 -0.00288 -0.04938 -0.00950 -0.05888 4.18926 R5 4.23750 0.00864 -0.05883 0.02125 -0.03758 4.19992 R6 4.23733 0.00865 -0.05882 0.02125 -0.03757 4.19977 R7 4.00619 -0.00478 -0.02741 -0.02421 -0.05162 3.95456 R8 4.24813 -0.00288 -0.04935 -0.00950 -0.05885 4.18928 A1 1.77309 -0.02343 -0.25318 0.00645 -0.25127 1.52182 A2 1.91785 0.00235 0.03980 -0.01992 0.00896 1.92682 A3 1.92831 0.00304 0.04297 -0.01491 0.01859 1.94690 A4 1.91764 0.00236 0.03986 -0.01988 0.00906 1.92669 A5 1.92836 0.00303 0.04293 -0.01492 0.01854 1.94690 A6 1.98684 0.00916 0.07435 0.05652 0.12083 2.10767 A7 1.77311 -0.02343 -0.25318 0.00645 -0.25128 1.52183 A8 1.91773 0.00235 0.03983 -0.01990 0.00901 1.92674 A9 1.92826 0.00304 0.04296 -0.01490 0.01859 1.94685 A10 1.91772 0.00236 0.03984 -0.01989 0.00903 1.92676 A11 1.92838 0.00303 0.04294 -0.01492 0.01855 1.94693 A12 1.98688 0.00916 0.07434 0.05650 0.12080 2.10768 A13 1.36850 0.02343 0.25318 -0.00645 0.25128 1.61978 A14 1.36848 0.02343 0.25318 -0.00645 0.25127 1.61976 D1 -0.00010 0.00000 0.00000 0.00000 0.00000 -0.00010 D2 2.02985 -0.00819 -0.07289 -0.02750 -0.09735 1.93250 D3 -2.04665 0.00755 0.07188 0.02005 0.09026 -1.95639 D4 0.00010 0.00000 0.00000 0.00000 0.00000 0.00010 D5 -2.03001 0.00819 0.07288 0.02753 0.09738 -1.93263 D6 2.04662 -0.00755 -0.07187 -0.02004 -0.09023 1.95639 D7 0.00010 0.00000 0.00000 0.00000 0.00000 0.00010 D8 2.03010 -0.00819 -0.07287 -0.02750 -0.09734 1.93276 D9 -2.04647 0.00755 0.07186 0.02005 0.09024 -1.95623 D10 -0.00010 0.00000 0.00000 0.00000 0.00000 -0.00010 D11 -2.03011 0.00819 0.07288 0.02751 0.09736 -1.93274 D12 2.04638 -0.00755 -0.07187 -0.02004 -0.09023 1.95615 Item Value Threshold Converged? Maximum Force 0.023433 0.000450 NO RMS Force 0.009823 0.000300 NO Maximum Displacement 0.273964 0.001800 NO RMS Displacement 0.138411 0.001200 NO Predicted change in Energy=-3.269928D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 13 0 -1.189857 -0.017310 0.895537 2 13 0 1.086155 2.258908 0.925452 3 17 0 -1.135627 2.204390 0.910234 4 17 0 1.031958 0.037199 0.910544 5 17 0 -1.913805 -0.741345 2.720627 6 17 0 1.810365 2.982998 -0.899503 7 35 0 -1.972197 -0.800014 -1.025348 8 35 0 1.868213 3.041519 2.846502 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 Al 0.000000 2 Al 3.219052 0.000000 3 Cl 2.222411 2.222503 0.000000 4 Cl 2.222534 2.222420 3.065150 0.000000 5 Cl 2.092673 4.606944 3.544071 3.544016 0.000000 6 Cl 4.607098 2.092665 3.544044 3.543998 6.391049 7 Br 2.216863 4.745117 3.670528 3.670633 3.746889 8 Br 4.744944 2.216873 3.670555 3.670585 5.350660 6 7 8 6 Cl 0.000000 7 Br 5.351148 0.000000 8 Br 3.746908 6.670633 0.000000 Stoichiometry Al2Br2Cl4 Framework group C1[X(Al2Br2Cl4)] Deg. of freedom 18 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 13 0 1.503774 -0.573704 -0.000046 2 13 0 -1.503813 0.573778 0.000067 3 17 0 0.000035 0.000152 -1.532550 4 17 0 -0.000012 0.000125 1.532600 5 17 0 1.790559 -2.646633 0.000093 6 17 0 -1.790855 2.646663 0.000074 7 35 0 3.235397 0.810478 -0.000044 8 35 0 -3.235250 -0.810655 -0.000069 --------------------------------------------------------------------- Rotational constants (GHZ): 0.6523535 0.2335803 0.1936479 Standard basis: 6-31G(d,p) (6D, 7F) There are 174 symmetry adapted cartesian basis functions of A symmetry. There are 174 symmetry adapted basis functions of A symmetry. 174 basis functions, 478 primitive gaussians, 174 cartesian basis functions 82 alpha electrons 82 beta electrons nuclear repulsion energy 1691.9885889140 Hartrees. NAtoms= 8 NActive= 8 NUniq= 8 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= 174 RedAO= T EigKep= 6.80D-04 NBF= 174 NBsUse= 174 1.00D-06 EigRej= -1.00D+00 NBFU= 174 Initial guess from the checkpoint file: "\\icnas4.cc.ic.ac.uk\mt217\Documents\2ndInorganic\Lwes_acid_bases_miniproject\Isomer5.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 0.999994 0.000006 0.000000 -0.003592 Ang= 0.41 deg. ExpMin= 5.57D-02 ExpMax= 5.74D+05 ExpMxC= 5.74D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 402 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 402 AccDes= 0.00D+00 IRadAn= 4 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=118699583. 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) = -7469.53198489 A.U. after 13 cycles NFock= 13 Conv=0.13D-08 -V/T= 2.0052 Calling FoFJK, ICntrl= 2127 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 13 -0.008606301 -0.008625324 0.001336109 2 13 0.008612865 0.008622288 -0.001329961 3 17 -0.020498025 0.020505121 -0.000003023 4 17 0.020491613 -0.020503005 0.000001457 5 17 -0.000381202 -0.000379110 0.002373354 6 17 0.000381652 0.000381709 -0.002375278 7 35 -0.001458434 -0.001459770 -0.004283830 8 35 0.001457833 0.001458090 0.004281171 ------------------------------------------------------------------- Cartesian Forces: Max 0.020505121 RMS 0.009216146 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.015358961 RMS 0.006552295 Search for a local minimum. Step number 7 out of a maximum of 44 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 6 7 DE= -9.13D-03 DEPred=-3.27D-03 R= 2.79D+00 TightC=F SS= 1.41D+00 RLast= 6.10D-01 DXNew= 1.4270D+00 1.8294D+00 Trust test= 2.79D+00 RLast= 6.10D-01 DXMaxT set to 1.43D+00 ITU= 1 1 0 0 0 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.08882 0.09045 0.10119 0.11396 0.15625 Eigenvalues --- 0.16390 0.17088 0.17693 0.17693 0.17762 Eigenvalues --- 0.17762 0.17920 0.20295 0.20545 0.25041 Eigenvalues --- 2.54231 2.55304 2.84104 RFO step: Lambda=-4.75558592D-03 EMin= 8.88201648D-02 Quartic linear search produced a step of -0.29749. Iteration 1 RMS(Cart)= 0.04135195 RMS(Int)= 0.00139402 Iteration 2 RMS(Cart)= 0.00154879 RMS(Int)= 0.00105128 Iteration 3 RMS(Cart)= 0.00000132 RMS(Int)= 0.00105128 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00105128 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 4.19975 0.01536 0.01118 0.07917 0.09034 4.29009 R2 4.19998 0.01534 0.01118 0.07917 0.09035 4.29033 R3 3.95458 0.00233 0.01535 -0.00814 0.00721 3.96179 R4 4.18926 0.00474 0.01752 0.01961 0.03713 4.22639 R5 4.19992 0.01535 0.01118 0.07917 0.09035 4.29027 R6 4.19977 0.01536 0.01118 0.07917 0.09035 4.29011 R7 3.95456 0.00234 0.01536 -0.00814 0.00722 3.96178 R8 4.18928 0.00474 0.01751 0.01960 0.03710 4.22639 A1 1.52182 0.01005 0.07475 -0.00806 0.06764 1.58946 A2 1.92682 -0.00238 -0.00267 -0.01034 -0.01100 1.91582 A3 1.94690 -0.00209 -0.00553 -0.00672 -0.01066 1.93624 A4 1.92669 -0.00238 -0.00269 -0.01030 -0.01098 1.91571 A5 1.94690 -0.00209 -0.00552 -0.00674 -0.01066 1.93624 A6 2.10767 0.00119 -0.03595 0.02964 -0.00527 2.10240 A7 1.52183 0.01004 0.07475 -0.00806 0.06764 1.58947 A8 1.92674 -0.00238 -0.00268 -0.01032 -0.01098 1.91576 A9 1.94685 -0.00209 -0.00553 -0.00672 -0.01066 1.93619 A10 1.92676 -0.00238 -0.00269 -0.01031 -0.01098 1.91578 A11 1.94693 -0.00209 -0.00552 -0.00674 -0.01067 1.93626 A12 2.10768 0.00119 -0.03594 0.02962 -0.00528 2.10241 A13 1.61978 -0.01005 -0.07475 0.00806 -0.06764 1.55214 A14 1.61976 -0.01004 -0.07475 0.00806 -0.06764 1.55212 D1 -0.00010 0.00000 0.00000 0.00001 0.00001 -0.00009 D2 1.93250 0.00106 0.02896 -0.01499 0.01298 1.94548 D3 -1.95639 -0.00160 -0.02685 0.01128 -0.01495 -1.97134 D4 0.00010 0.00000 0.00000 -0.00001 -0.00001 0.00009 D5 -1.93263 -0.00105 -0.02897 0.01503 -0.01296 -1.94558 D6 1.95639 0.00160 0.02684 -0.01127 0.01495 1.97134 D7 0.00010 0.00000 0.00000 -0.00001 -0.00001 0.00009 D8 1.93276 0.00105 0.02896 -0.01501 0.01296 1.94573 D9 -1.95623 -0.00160 -0.02684 0.01127 -0.01495 -1.97118 D10 -0.00010 0.00000 0.00000 0.00001 0.00001 -0.00009 D11 -1.93274 -0.00105 -0.02896 0.01502 -0.01296 -1.94571 D12 1.95615 0.00160 0.02684 -0.01126 0.01497 1.97112 Item Value Threshold Converged? Maximum Force 0.015359 0.000450 NO RMS Force 0.006552 0.000300 NO Maximum Displacement 0.117163 0.001800 NO RMS Displacement 0.042077 0.001200 NO Predicted change in Energy=-4.635657D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 13 0 -1.176247 -0.003704 0.896417 2 13 0 1.072546 2.245299 0.924571 3 17 0 -1.197626 2.266372 0.910232 4 17 0 1.093958 -0.024786 0.910554 5 17 0 -1.903278 -0.730793 2.723444 6 17 0 1.799828 2.972475 -0.902320 7 35 0 -1.970880 -0.798713 -1.037100 8 35 0 1.866903 3.040194 2.858248 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 Al 0.000000 2 Al 3.180547 0.000000 3 Cl 2.270219 2.270315 0.000000 4 Cl 2.270347 2.270229 3.240488 0.000000 5 Cl 2.096487 4.576963 3.573330 3.573295 0.000000 6 Cl 4.577130 2.096486 3.573326 3.573281 6.369721 7 Br 2.236509 4.730392 3.712785 3.712890 3.761765 8 Br 4.730207 2.236508 3.712803 3.712824 5.334115 6 7 8 6 Cl 0.000000 7 Br 5.334629 0.000000 8 Br 3.761776 6.681282 0.000000 Stoichiometry Al2Br2Cl4 Framework group C1[X(Al2Br2Cl4)] Deg. of freedom 18 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 13 0 1.480987 -0.579263 -0.000043 2 13 0 -1.481026 0.579338 0.000061 3 17 0 0.000038 0.000143 -1.620220 4 17 0 -0.000018 0.000126 1.620268 5 17 0 1.754623 -2.657816 0.000079 6 17 0 -1.754936 2.657853 0.000056 7 35 0 3.244384 0.796383 -0.000035 8 35 0 -3.244227 -0.796560 -0.000061 --------------------------------------------------------------------- Rotational constants (GHZ): 0.6357149 0.2318748 0.1938315 Standard basis: 6-31G(d,p) (6D, 7F) There are 174 symmetry adapted cartesian basis functions of A symmetry. There are 174 symmetry adapted basis functions of A symmetry. 174 basis functions, 478 primitive gaussians, 174 cartesian basis functions 82 alpha electrons 82 beta electrons nuclear repulsion energy 1678.0368222790 Hartrees. NAtoms= 8 NActive= 8 NUniq= 8 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= 174 RedAO= T EigKep= 6.80D-04 NBF= 174 NBsUse= 174 1.00D-06 EigRej= -1.00D+00 NBFU= 174 Initial guess from the checkpoint file: "\\icnas4.cc.ic.ac.uk\mt217\Documents\2ndInorganic\Lwes_acid_bases_miniproject\Isomer5.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 0.999994 0.000001 0.000000 0.003427 Ang= 0.39 deg. ExpMin= 5.57D-02 ExpMax= 5.74D+05 ExpMxC= 5.74D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 402 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 402 AccDes= 0.00D+00 IRadAn= 4 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=118699583. 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) = -7469.53696691 A.U. after 11 cycles NFock= 11 Conv=0.90D-08 -V/T= 2.0053 Calling FoFJK, ICntrl= 2127 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 13 -0.005981347 -0.005996482 -0.002093045 2 13 0.005985983 0.005993331 0.002094092 3 17 -0.004123639 0.004130441 -0.000000248 4 17 0.004118133 -0.004128501 -0.000000182 5 17 0.000509707 0.000511384 0.001032379 6 17 -0.000510174 -0.000510023 -0.001032883 7 35 0.001170330 0.001169884 0.000889218 8 35 -0.001168993 -0.001170035 -0.000889330 ------------------------------------------------------------------- Cartesian Forces: Max 0.005996482 RMS 0.003099400 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.004222123 RMS 0.001672659 Search for a local minimum. Step number 8 out of a maximum of 44 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 6 7 8 DE= -4.98D-03 DEPred=-4.64D-03 R= 1.07D+00 TightC=F SS= 1.41D+00 RLast= 2.37D-01 DXNew= 2.4000D+00 7.1228D-01 Trust test= 1.07D+00 RLast= 2.37D-01 DXMaxT set to 1.43D+00 ITU= 1 1 1 0 0 0 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.08882 0.08894 0.10119 0.10141 0.14045 Eigenvalues --- 0.15937 0.17088 0.17260 0.18232 0.18232 Eigenvalues --- 0.18309 0.18309 0.19877 0.20294 0.24936 Eigenvalues --- 2.51696 2.59551 2.84104 RFO step: Lambda=-7.69339292D-04 EMin= 8.88201632D-02 Quartic linear search produced a step of 0.19457. Iteration 1 RMS(Cart)= 0.01245924 RMS(Int)= 0.00009187 Iteration 2 RMS(Cart)= 0.00009539 RMS(Int)= 0.00002846 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00002846 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 4.29009 0.00422 0.01758 0.02689 0.04447 4.33456 R2 4.29033 0.00421 0.01758 0.02689 0.04447 4.33480 R3 3.96179 0.00055 0.00140 -0.00130 0.00010 3.96189 R4 4.22639 -0.00160 0.00722 -0.02948 -0.02226 4.20413 R5 4.29027 0.00421 0.01758 0.02689 0.04447 4.33474 R6 4.29011 0.00422 0.01758 0.02689 0.04447 4.33458 R7 3.96178 0.00055 0.00140 -0.00130 0.00011 3.96189 R8 4.22639 -0.00160 0.00722 -0.02947 -0.02225 4.20414 A1 1.58946 -0.00022 0.01316 -0.01534 -0.00220 1.58726 A2 1.91582 -0.00069 -0.00214 -0.00522 -0.00741 1.90842 A3 1.93624 -0.00057 -0.00207 -0.00372 -0.00585 1.93039 A4 1.91571 -0.00069 -0.00214 -0.00519 -0.00738 1.90834 A5 1.93624 -0.00057 -0.00207 -0.00374 -0.00586 1.93038 A6 2.10240 0.00208 -0.00103 0.02271 0.02163 2.12403 A7 1.58947 -0.00022 0.01316 -0.01534 -0.00221 1.58727 A8 1.91576 -0.00069 -0.00214 -0.00520 -0.00739 1.90837 A9 1.93619 -0.00057 -0.00207 -0.00372 -0.00585 1.93034 A10 1.91578 -0.00069 -0.00214 -0.00520 -0.00738 1.90840 A11 1.93626 -0.00057 -0.00208 -0.00373 -0.00586 1.93040 A12 2.10241 0.00208 -0.00103 0.02270 0.02162 2.12403 A13 1.55214 0.00022 -0.01316 0.01534 0.00220 1.55434 A14 1.55212 0.00022 -0.01316 0.01534 0.00221 1.55432 D1 -0.00009 0.00000 0.00000 0.00000 0.00000 -0.00009 D2 1.94548 -0.00094 0.00253 -0.01246 -0.00992 1.93556 D3 -1.97134 0.00082 -0.00291 0.01124 0.00832 -1.96302 D4 0.00009 0.00000 0.00000 0.00000 0.00000 0.00009 D5 -1.94558 0.00094 -0.00252 0.01248 0.00995 -1.93563 D6 1.97134 -0.00082 0.00291 -0.01122 -0.00831 1.96303 D7 0.00009 0.00000 0.00000 0.00000 0.00000 0.00009 D8 1.94573 -0.00094 0.00252 -0.01247 -0.00994 1.93579 D9 -1.97118 0.00082 -0.00291 0.01123 0.00831 -1.96287 D10 -0.00009 0.00000 0.00000 0.00000 0.00000 -0.00009 D11 -1.94571 0.00094 -0.00252 0.01247 0.00994 -1.93576 D12 1.97112 -0.00082 0.00291 -0.01122 -0.00830 1.96282 Item Value Threshold Converged? Maximum Force 0.004222 0.000450 NO RMS Force 0.001673 0.000300 NO Maximum Displacement 0.024427 0.001800 NO RMS Displacement 0.012424 0.001200 NO Predicted change in Energy=-4.846657D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 13 0 -1.189164 -0.016630 0.894676 2 13 0 1.085462 2.258219 0.926314 3 17 0 -1.208252 2.276988 0.910239 4 17 0 1.104581 -0.035407 0.910554 5 17 0 -1.902069 -0.729540 2.732885 6 17 0 1.798583 2.971258 -0.911762 7 35 0 -1.965006 -0.792872 -1.040509 8 35 0 1.861070 3.034328 2.861649 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 Al 0.000000 2 Al 3.217121 0.000000 3 Cl 2.293751 2.293847 0.000000 4 Cl 2.293877 2.293760 3.270531 0.000000 5 Cl 2.096541 4.595187 3.583662 3.583665 0.000000 6 Cl 4.595360 2.096542 3.583679 3.583645 6.377632 7 Br 2.224730 4.741615 3.715123 3.715207 3.774450 8 Br 4.741441 2.224733 3.715145 3.715148 5.323956 6 7 8 6 Cl 0.000000 7 Br 5.324459 0.000000 8 Br 3.774456 6.671819 0.000000 Stoichiometry Al2Br2Cl4 Framework group C1[X(Al2Br2Cl4)] Deg. of freedom 18 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 13 0 1.498039 -0.585880 -0.000041 2 13 0 -1.498072 0.585949 0.000052 3 17 0 0.000042 0.000125 -1.635245 4 17 0 -0.000017 0.000132 1.635285 5 17 0 1.746957 -2.667593 0.000054 6 17 0 -1.747266 2.667629 0.000020 7 35 0 3.238729 0.799551 -0.000019 8 35 0 -3.238578 -0.799719 -0.000041 --------------------------------------------------------------------- Rotational constants (GHZ): 0.6291744 0.2320335 0.1938364 Standard basis: 6-31G(d,p) (6D, 7F) There are 174 symmetry adapted cartesian basis functions of A symmetry. There are 174 symmetry adapted basis functions of A symmetry. 174 basis functions, 478 primitive gaussians, 174 cartesian basis functions 82 alpha electrons 82 beta electrons nuclear repulsion energy 1674.9262568792 Hartrees. NAtoms= 8 NActive= 8 NUniq= 8 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= 174 RedAO= T EigKep= 6.80D-04 NBF= 174 NBsUse= 174 1.00D-06 EigRej= -1.00D+00 NBFU= 174 Initial guess from the checkpoint file: "\\icnas4.cc.ic.ac.uk\mt217\Documents\2ndInorganic\Lwes_acid_bases_miniproject\Isomer5.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 1.000000 0.000002 0.000000 0.000101 Ang= 0.01 deg. ExpMin= 5.57D-02 ExpMax= 5.74D+05 ExpMxC= 5.74D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 402 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 402 AccDes= 0.00D+00 IRadAn= 4 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=118699583. 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) = -7469.53752663 A.U. after 11 cycles NFock= 11 Conv=0.16D-08 -V/T= 2.0053 Calling FoFJK, ICntrl= 2127 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 13 -0.000776013 -0.000787449 0.000781778 2 13 0.000780913 0.000785701 -0.000781073 3 17 -0.000198348 0.000204847 0.000000339 4 17 0.000193691 -0.000202957 -0.000000313 5 17 0.000329653 0.000330501 0.000512866 6 17 -0.000330167 -0.000330049 -0.000512885 7 35 -0.000176433 -0.000177267 -0.001475879 8 35 0.000176704 0.000176673 0.001475166 ------------------------------------------------------------------- Cartesian Forces: Max 0.001475879 RMS 0.000621555 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.001404987 RMS 0.000568973 Search for a local minimum. Step number 9 out of a maximum of 44 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Update second derivatives using D2CorX and points 6 7 8 9 DE= -5.60D-04 DEPred=-4.85D-04 R= 1.15D+00 TightC=F SS= 1.41D+00 RLast= 1.04D-01 DXNew= 2.4000D+00 3.1295D-01 Trust test= 1.15D+00 RLast= 1.04D-01 DXMaxT set to 1.43D+00 ITU= 1 1 1 1 0 0 0 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.06740 0.08882 0.10119 0.11056 0.13423 Eigenvalues --- 0.16014 0.17088 0.17177 0.18187 0.18187 Eigenvalues --- 0.18267 0.18267 0.19946 0.20343 0.25345 Eigenvalues --- 2.52627 2.59909 2.84104 RFO step: Lambda=-1.14852503D-04 EMin= 6.73975671D-02 Quartic linear search produced a step of 0.13919. Iteration 1 RMS(Cart)= 0.00819942 RMS(Int)= 0.00003522 Iteration 2 RMS(Cart)= 0.00002769 RMS(Int)= 0.00001433 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00001433 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 4.33456 0.00042 0.00619 0.00480 0.01099 4.34555 R2 4.33480 0.00041 0.00619 0.00480 0.01099 4.34579 R3 3.96189 0.00023 0.00001 0.00062 0.00063 3.96252 R4 4.20413 0.00140 -0.00310 0.01762 0.01452 4.21865 R5 4.33474 0.00041 0.00619 0.00480 0.01099 4.34573 R6 4.33458 0.00042 0.00619 0.00480 0.01099 4.34557 R7 3.96189 0.00023 0.00001 0.00062 0.00063 3.96252 R8 4.20414 0.00140 -0.00310 0.01761 0.01451 4.21865 A1 1.58726 -0.00041 -0.00031 -0.00569 -0.00601 1.58125 A2 1.90842 -0.00038 -0.00103 -0.00273 -0.00379 1.90463 A3 1.93039 -0.00021 -0.00081 -0.00134 -0.00217 1.92822 A4 1.90834 -0.00038 -0.00103 -0.00272 -0.00377 1.90456 A5 1.93038 -0.00022 -0.00082 -0.00135 -0.00218 1.92819 A6 2.12403 0.00114 0.00301 0.00947 0.01248 2.13651 A7 1.58727 -0.00041 -0.00031 -0.00569 -0.00601 1.58126 A8 1.90837 -0.00038 -0.00103 -0.00273 -0.00378 1.90458 A9 1.93034 -0.00021 -0.00081 -0.00134 -0.00217 1.92817 A10 1.90840 -0.00038 -0.00103 -0.00272 -0.00378 1.90462 A11 1.93040 -0.00021 -0.00082 -0.00135 -0.00218 1.92822 A12 2.12403 0.00114 0.00301 0.00947 0.01248 2.13651 A13 1.55434 0.00040 0.00031 0.00569 0.00601 1.56035 A14 1.55432 0.00041 0.00031 0.00569 0.00601 1.56033 D1 -0.00009 0.00000 0.00000 0.00000 0.00000 -0.00008 D2 1.93556 -0.00061 -0.00138 -0.00550 -0.00686 1.92870 D3 -1.96302 0.00044 0.00116 0.00405 0.00520 -1.95782 D4 0.00009 0.00000 0.00000 0.00000 0.00000 0.00008 D5 -1.93563 0.00062 0.00139 0.00551 0.00687 -1.92876 D6 1.96303 -0.00044 -0.00116 -0.00404 -0.00518 1.95785 D7 0.00009 0.00000 0.00000 0.00000 0.00000 0.00008 D8 1.93579 -0.00062 -0.00138 -0.00551 -0.00687 1.92892 D9 -1.96287 0.00044 0.00116 0.00404 0.00519 -1.95768 D10 -0.00009 0.00000 0.00000 0.00000 0.00000 -0.00008 D11 -1.93576 0.00062 0.00138 0.00551 0.00687 -1.92889 D12 1.96282 -0.00044 -0.00116 -0.00404 -0.00518 1.95764 Item Value Threshold Converged? Maximum Force 0.001405 0.000450 NO RMS Force 0.000569 0.000300 NO Maximum Displacement 0.023387 0.001800 NO RMS Displacement 0.008196 0.001200 NO Predicted change in Energy=-6.488812D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 13 0 -1.195524 -0.022993 0.894587 2 13 0 1.091822 2.264581 0.926405 3 17 0 -1.207752 2.276487 0.910246 4 17 0 1.104080 -0.034907 0.910553 5 17 0 -1.898955 -0.726402 2.740472 6 17 0 1.795446 2.968137 -0.919350 7 35 0 -1.967009 -0.794898 -1.052885 8 35 0 1.863098 3.036339 2.874017 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 Al 0.000000 2 Al 3.235114 0.000000 3 Cl 2.299566 2.299661 0.000000 4 Cl 2.299691 2.299576 3.269114 0.000000 5 Cl 2.096876 4.602344 3.583969 3.583990 0.000000 6 Cl 4.602514 2.096876 3.583992 3.583965 6.379069 7 Br 2.232414 4.757567 3.723407 3.723474 3.794585 8 Br 4.757397 2.232413 3.723425 3.723419 5.322509 6 7 8 6 Cl 0.000000 7 Br 5.323000 0.000000 8 Br 3.794583 6.690938 0.000000 Stoichiometry Al2Br2Cl4 Framework group C1[X(Al2Br2Cl4)] Deg. of freedom 18 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 13 0 1.503633 -0.596231 -0.000041 2 13 0 -1.503666 0.596294 0.000047 3 17 0 0.000041 0.000114 -1.634541 4 17 0 -0.000015 0.000134 1.634574 5 17 0 1.727444 -2.681128 0.000039 6 17 0 -1.727749 2.681163 0.000000 7 35 0 3.249762 0.794706 -0.000009 8 35 0 -3.249615 -0.794867 -0.000028 --------------------------------------------------------------------- Rotational constants (GHZ): 0.6257867 0.2312589 0.1929507 Standard basis: 6-31G(d,p) (6D, 7F) There are 174 symmetry adapted cartesian basis functions of A symmetry. There are 174 symmetry adapted basis functions of A symmetry. 174 basis functions, 478 primitive gaussians, 174 cartesian basis functions 82 alpha electrons 82 beta electrons nuclear repulsion energy 1671.1895368697 Hartrees. NAtoms= 8 NActive= 8 NUniq= 8 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= 174 RedAO= T EigKep= 6.81D-04 NBF= 174 NBsUse= 174 1.00D-06 EigRej= -1.00D+00 NBFU= 174 Initial guess from the checkpoint file: "\\icnas4.cc.ic.ac.uk\mt217\Documents\2ndInorganic\Lwes_acid_bases_miniproject\Isomer5.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 0.999998 0.000001 0.000000 0.001929 Ang= 0.22 deg. ExpMin= 5.57D-02 ExpMax= 5.74D+05 ExpMxC= 5.74D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 402 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 402 AccDes= 0.00D+00 IRadAn= 4 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=118699583. 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) = -7469.53757283 A.U. after 10 cycles NFock= 10 Conv=0.95D-08 -V/T= 2.0053 Calling FoFJK, ICntrl= 2127 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 13 -0.000124367 -0.000135160 -0.000846811 2 13 0.000128486 0.000133214 0.000846527 3 17 0.000308329 -0.000302142 0.000000349 4 17 -0.000312716 0.000303870 -0.000000166 5 17 0.000171662 0.000172086 -0.000018128 6 17 -0.000172057 -0.000171952 0.000017991 7 35 0.000503703 0.000503545 0.000861762 8 35 -0.000503040 -0.000503460 -0.000861524 ------------------------------------------------------------------- Cartesian Forces: Max 0.000861762 RMS 0.000432807 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.001101867 RMS 0.000347431 Search for a local minimum. Step number 10 out of a maximum of 44 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 6 7 8 9 10 DE= -4.62D-05 DEPred=-6.49D-05 R= 7.12D-01 TightC=F SS= 1.41D+00 RLast= 4.16D-02 DXNew= 2.4000D+00 1.2491D-01 Trust test= 7.12D-01 RLast= 4.16D-02 DXMaxT set to 1.43D+00 ITU= 1 1 1 1 1 0 0 0 1 0 Eigenvalues --- 0.06026 0.08882 0.10119 0.13193 0.14898 Eigenvalues --- 0.16136 0.17088 0.17266 0.18123 0.18124 Eigenvalues --- 0.18207 0.18207 0.20013 0.20390 0.25872 Eigenvalues --- 2.53221 2.59756 2.84104 En-DIIS/RFO-DIIS IScMMF= 0 using points: 10 9 RFO step: Lambda=-9.29454815D-06. DidBck=T Rises=F RFO-DIIS coefs: 0.78179 0.21821 Iteration 1 RMS(Cart)= 0.00257035 RMS(Int)= 0.00000279 Iteration 2 RMS(Cart)= 0.00000138 RMS(Int)= 0.00000264 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000264 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 4.34555 -0.00042 -0.00240 0.00087 -0.00153 4.34402 R2 4.34579 -0.00043 -0.00240 0.00086 -0.00153 4.34425 R3 3.96252 -0.00013 -0.00014 -0.00026 -0.00040 3.96212 R4 4.21865 -0.00110 -0.00317 -0.00387 -0.00704 4.21161 R5 4.34573 -0.00043 -0.00240 0.00086 -0.00153 4.34420 R6 4.34557 -0.00042 -0.00240 0.00087 -0.00153 4.34404 R7 3.96252 -0.00013 -0.00014 -0.00026 -0.00040 3.96212 R8 4.21865 -0.00110 -0.00317 -0.00387 -0.00703 4.21162 A1 1.58125 0.00024 0.00131 -0.00091 0.00040 1.58165 A2 1.90463 -0.00018 0.00083 -0.00152 -0.00068 1.90394 A3 1.92822 -0.00018 0.00047 -0.00106 -0.00058 1.92764 A4 1.90456 -0.00018 0.00082 -0.00151 -0.00068 1.90388 A5 1.92819 -0.00018 0.00048 -0.00107 -0.00059 1.92761 A6 2.13651 0.00040 -0.00272 0.00443 0.00171 2.13822 A7 1.58126 0.00024 0.00131 -0.00091 0.00040 1.58166 A8 1.90458 -0.00018 0.00083 -0.00151 -0.00068 1.90390 A9 1.92817 -0.00018 0.00047 -0.00106 -0.00058 1.92759 A10 1.90462 -0.00018 0.00082 -0.00151 -0.00068 1.90394 A11 1.92822 -0.00018 0.00048 -0.00106 -0.00058 1.92764 A12 2.13651 0.00040 -0.00272 0.00443 0.00171 2.13822 A13 1.56035 -0.00024 -0.00131 0.00091 -0.00040 1.55995 A14 1.56033 -0.00024 -0.00131 0.00091 -0.00040 1.55993 D1 -0.00008 0.00000 0.00000 0.00000 0.00000 -0.00008 D2 1.92870 -0.00012 0.00150 -0.00216 -0.00067 1.92803 D3 -1.95782 0.00012 -0.00113 0.00170 0.00057 -1.95726 D4 0.00008 0.00000 0.00000 0.00000 0.00000 0.00008 D5 -1.92876 0.00012 -0.00150 0.00217 0.00068 -1.92808 D6 1.95785 -0.00012 0.00113 -0.00169 -0.00056 1.95729 D7 0.00008 0.00000 0.00000 0.00000 0.00000 0.00008 D8 1.92892 -0.00012 0.00150 -0.00217 -0.00068 1.92825 D9 -1.95768 0.00012 -0.00113 0.00169 0.00056 -1.95712 D10 -0.00008 0.00000 0.00000 0.00000 0.00000 -0.00008 D11 -1.92889 0.00012 -0.00150 0.00217 0.00068 -1.92821 D12 1.95764 -0.00012 0.00113 -0.00169 -0.00056 1.95708 Item Value Threshold Converged? Maximum Force 0.001102 0.000450 NO RMS Force 0.000347 0.000300 NO Maximum Displacement 0.006229 0.001800 NO RMS Displacement 0.002570 0.001200 NO Predicted change in Energy=-1.073374D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 13 0 -1.194886 -0.022356 0.894251 2 13 0 1.091183 2.263944 0.926743 3 17 0 -1.207574 2.276310 0.910248 4 17 0 1.103901 -0.034729 0.910553 5 17 0 -1.897317 -0.724758 2.740659 6 17 0 1.793799 2.966495 -0.919540 7 35 0 -1.963712 -0.791608 -1.051056 8 35 0 1.859811 3.033046 2.872188 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 Al 0.000000 2 Al 3.233316 0.000000 3 Cl 2.298756 2.298850 0.000000 4 Cl 2.298879 2.298765 3.268611 0.000000 5 Cl 2.096665 4.599322 3.582256 3.582281 0.000000 6 Cl 4.599490 2.096665 3.582279 3.582254 6.375480 7 Br 2.228690 4.751891 3.718948 3.719009 3.792886 8 Br 4.751725 2.228691 3.718967 3.718959 5.315487 6 7 8 6 Cl 0.000000 7 Br 5.315969 0.000000 8 Br 3.792886 6.681254 0.000000 Stoichiometry Al2Br2Cl4 Framework group C1[X(Al2Br2Cl4)] Deg. of freedom 18 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 13 0 1.502909 -0.595621 -0.000042 2 13 0 -1.502940 0.595683 0.000046 3 17 0 0.000040 0.000112 -1.634291 4 17 0 -0.000014 0.000134 1.634321 5 17 0 1.725149 -2.680474 0.000035 6 17 0 -1.725447 2.680508 -0.000005 7 35 0 3.244782 0.794681 -0.000006 8 35 0 -3.244638 -0.794840 -0.000024 --------------------------------------------------------------------- Rotational constants (GHZ): 0.6260577 0.2318777 0.1933987 Standard basis: 6-31G(d,p) (6D, 7F) There are 174 symmetry adapted cartesian basis functions of A symmetry. There are 174 symmetry adapted basis functions of A symmetry. 174 basis functions, 478 primitive gaussians, 174 cartesian basis functions 82 alpha electrons 82 beta electrons nuclear repulsion energy 1672.6814746210 Hartrees. NAtoms= 8 NActive= 8 NUniq= 8 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= 174 RedAO= T EigKep= 6.80D-04 NBF= 174 NBsUse= 174 1.00D-06 EigRej= -1.00D+00 NBFU= 174 Initial guess from the checkpoint file: "\\icnas4.cc.ic.ac.uk\mt217\Documents\2ndInorganic\Lwes_acid_bases_miniproject\Isomer5.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 1.000000 0.000000 0.000000 -0.000047 Ang= 0.01 deg. Keep R1 ints in memory in canonical form, NReq=118699583. 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) = -7469.53758550 A.U. after 7 cycles NFock= 7 Conv=0.43D-08 -V/T= 2.0053 Calling FoFJK, ICntrl= 2127 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 13 0.000170330 0.000159795 -0.000035036 2 13 -0.000166064 -0.000161512 0.000035009 3 17 0.000158393 -0.000152264 0.000000333 4 17 -0.000162658 0.000153971 -0.000000081 5 17 0.000105227 0.000105602 0.000071124 6 17 -0.000105535 -0.000105470 -0.000071237 7 35 0.000079711 0.000079440 -0.000079994 8 35 -0.000079406 -0.000079560 0.000079882 ------------------------------------------------------------------- Cartesian Forces: Max 0.000170330 RMS 0.000112138 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000299432 RMS 0.000152697 Search for a local minimum. Step number 11 out of a maximum of 44 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 6 7 8 9 10 11 DE= -1.27D-05 DEPred=-1.07D-05 R= 1.18D+00 TightC=F SS= 1.41D+00 RLast= 1.10D-02 DXNew= 2.4000D+00 3.3067D-02 Trust test= 1.18D+00 RLast= 1.10D-02 DXMaxT set to 1.43D+00 ITU= 1 1 1 1 1 1 0 0 0 1 0 Eigenvalues --- 0.06234 0.08882 0.10119 0.11939 0.14577 Eigenvalues --- 0.16310 0.17088 0.17554 0.18125 0.18125 Eigenvalues --- 0.18208 0.18208 0.20015 0.20391 0.21111 Eigenvalues --- 2.53198 2.59759 2.84103 En-DIIS/RFO-DIIS IScMMF= 0 using points: 11 10 9 RFO step: Lambda=-1.98864971D-06. DidBck=F Rises=F RFO-DIIS coefs: 1.32156 -0.27130 -0.05026 Iteration 1 RMS(Cart)= 0.00250025 RMS(Int)= 0.00000125 Iteration 2 RMS(Cart)= 0.00000107 RMS(Int)= 0.00000063 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000063 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 4.34402 -0.00025 0.00006 -0.00164 -0.00158 4.34244 R2 4.34425 -0.00026 0.00006 -0.00164 -0.00158 4.34267 R3 3.96212 -0.00001 -0.00010 0.00016 0.00007 3.96219 R4 4.21161 0.00001 -0.00153 0.00080 -0.00073 4.21088 R5 4.34420 -0.00025 0.00006 -0.00164 -0.00158 4.34262 R6 4.34404 -0.00025 0.00006 -0.00164 -0.00158 4.34246 R7 3.96212 -0.00001 -0.00010 0.00016 0.00007 3.96219 R8 4.21162 0.00001 -0.00153 0.00080 -0.00073 4.21088 A1 1.58165 0.00019 -0.00017 0.00092 0.00074 1.58239 A2 1.90394 -0.00015 -0.00041 -0.00070 -0.00111 1.90283 A3 1.92764 -0.00012 -0.00030 -0.00046 -0.00076 1.92688 A4 1.90388 -0.00015 -0.00041 -0.00070 -0.00111 1.90277 A5 1.92761 -0.00012 -0.00030 -0.00046 -0.00076 1.92684 A6 2.13822 0.00030 0.00118 0.00126 0.00244 2.14066 A7 1.58166 0.00019 -0.00017 0.00092 0.00074 1.58240 A8 1.90390 -0.00015 -0.00041 -0.00070 -0.00111 1.90279 A9 1.92759 -0.00012 -0.00030 -0.00046 -0.00076 1.92683 A10 1.90394 -0.00015 -0.00041 -0.00070 -0.00111 1.90282 A11 1.92764 -0.00012 -0.00030 -0.00046 -0.00076 1.92688 A12 2.13822 0.00030 0.00118 0.00127 0.00244 2.14066 A13 1.55995 -0.00019 0.00017 -0.00092 -0.00074 1.55920 A14 1.55993 -0.00019 0.00017 -0.00092 -0.00074 1.55919 D1 -0.00008 0.00000 0.00000 0.00000 0.00000 -0.00008 D2 1.92803 -0.00011 -0.00056 -0.00050 -0.00106 1.92697 D3 -1.95726 0.00007 0.00044 0.00020 0.00065 -1.95661 D4 0.00008 0.00000 0.00000 0.00000 0.00000 0.00008 D5 -1.92808 0.00011 0.00056 0.00051 0.00107 -1.92702 D6 1.95729 -0.00007 -0.00044 -0.00020 -0.00064 1.95665 D7 0.00008 0.00000 0.00000 0.00000 0.00000 0.00008 D8 1.92825 -0.00011 -0.00056 -0.00051 -0.00107 1.92718 D9 -1.95712 0.00007 0.00044 0.00020 0.00064 -1.95648 D10 -0.00008 0.00000 0.00000 0.00000 0.00000 -0.00008 D11 -1.92821 0.00011 0.00056 0.00051 0.00107 -1.92715 D12 1.95708 -0.00007 -0.00044 -0.00020 -0.00064 1.95644 Item Value Threshold Converged? Maximum Force 0.000299 0.000450 YES RMS Force 0.000153 0.000300 YES Maximum Displacement 0.004959 0.001800 NO RMS Displacement 0.002500 0.001200 NO Predicted change in Energy=-2.551921D-06 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 13 0 -1.194040 -0.021510 0.894063 2 13 0 1.090337 2.263098 0.926932 3 17 0 -1.207579 2.276315 0.910252 4 17 0 1.103904 -0.034734 0.910554 5 17 0 -1.894705 -0.722137 2.741856 6 17 0 1.791175 2.963877 -0.920739 7 35 0 -1.961244 -0.789150 -1.052076 8 35 0 1.857358 3.030584 2.873205 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 Al 0.000000 2 Al 3.230927 0.000000 3 Cl 2.297922 2.298014 0.000000 4 Cl 2.298041 2.297930 3.268624 0.000000 5 Cl 2.096700 4.595220 3.580172 3.580202 0.000000 6 Cl 4.595383 2.096701 3.580194 3.580174 6.370793 7 Br 2.228302 4.748140 3.716963 3.717014 3.795107 8 Br 4.747980 2.228303 3.716981 3.716970 5.308309 6 7 8 6 Cl 0.000000 7 Br 5.308777 0.000000 8 Br 3.795107 6.676820 0.000000 Stoichiometry Al2Br2Cl4 Framework group C1[X(Al2Br2Cl4)] Deg. of freedom 18 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 13 0 1.501108 -0.596921 -0.000043 2 13 0 -1.501139 0.596980 0.000044 3 17 0 0.000039 0.000107 -1.634299 4 17 0 -0.000012 0.000133 1.634325 5 17 0 1.717834 -2.682389 0.000028 6 17 0 -1.718124 2.682422 -0.000013 7 35 0 3.242962 0.792783 -0.000002 8 35 0 -3.242823 -0.792938 -0.000019 --------------------------------------------------------------------- Rotational constants (GHZ): 0.6258021 0.2322952 0.1936648 Standard basis: 6-31G(d,p) (6D, 7F) There are 174 symmetry adapted cartesian basis functions of A symmetry. There are 174 symmetry adapted basis functions of A symmetry. 174 basis functions, 478 primitive gaussians, 174 cartesian basis functions 82 alpha electrons 82 beta electrons nuclear repulsion energy 1673.3627064568 Hartrees. NAtoms= 8 NActive= 8 NUniq= 8 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= 174 RedAO= T EigKep= 6.80D-04 NBF= 174 NBsUse= 174 1.00D-06 EigRej= -1.00D+00 NBFU= 174 Initial guess from the checkpoint file: "\\icnas4.cc.ic.ac.uk\mt217\Documents\2ndInorganic\Lwes_acid_bases_miniproject\Isomer5.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 1.000000 0.000000 0.000000 0.000498 Ang= 0.06 deg. Keep R1 ints in memory in canonical form, NReq=118699583. 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) = -7469.53758904 A.U. after 7 cycles NFock= 7 Conv=0.31D-08 -V/T= 2.0053 Calling FoFJK, ICntrl= 2127 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 13 0.000127274 0.000116961 0.000074394 2 13 -0.000123142 -0.000118581 -0.000074530 3 17 0.000040335 -0.000034335 0.000000301 4 17 -0.000044417 0.000035958 0.000000025 5 17 0.000046321 0.000046592 0.000033380 6 17 -0.000046536 -0.000046518 -0.000033456 7 35 -0.000008324 -0.000008479 -0.000143764 8 35 0.000008488 0.000008401 0.000143650 ------------------------------------------------------------------- Cartesian Forces: Max 0.000143764 RMS 0.000073238 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000132243 RMS 0.000078572 Search for a local minimum. Step number 12 out of a maximum of 44 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 6 7 8 9 10 11 12 DE= -3.54D-06 DEPred=-2.55D-06 R= 1.39D+00 TightC=F SS= 1.41D+00 RLast= 6.22D-03 DXNew= 2.4000D+00 1.8649D-02 Trust test= 1.39D+00 RLast= 6.22D-03 DXMaxT set to 1.43D+00 ITU= 1 1 1 1 1 1 1 0 0 0 1 0 Eigenvalues --- 0.06077 0.08852 0.08882 0.10119 0.13917 Eigenvalues --- 0.16132 0.17088 0.17259 0.18127 0.18127 Eigenvalues --- 0.18212 0.18212 0.19022 0.20016 0.20394 Eigenvalues --- 2.53163 2.59775 2.84103 En-DIIS/RFO-DIIS IScMMF= 0 using points: 12 11 10 9 RFO step: Lambda=-6.63542916D-07. DidBck=F Rises=F RFO-DIIS coefs: 2.01898 -1.27997 0.24371 0.01729 Iteration 1 RMS(Cart)= 0.00218568 RMS(Int)= 0.00000086 Iteration 2 RMS(Cart)= 0.00000075 RMS(Int)= 0.00000045 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 4.34244 -0.00009 -0.00140 0.00026 -0.00114 4.34131 R2 4.34267 -0.00010 -0.00140 0.00026 -0.00114 4.34152 R3 3.96219 0.00000 0.00016 -0.00011 0.00005 3.96224 R4 4.21088 0.00013 0.00084 -0.00003 0.00081 4.21169 R5 4.34262 -0.00010 -0.00140 0.00026 -0.00114 4.34148 R6 4.34246 -0.00010 -0.00140 0.00026 -0.00114 4.34132 R7 3.96219 0.00000 0.00016 -0.00011 0.00005 3.96224 R8 4.21088 0.00013 0.00084 -0.00003 0.00081 4.21169 A1 1.58239 0.00012 0.00076 0.00031 0.00106 1.58346 A2 1.90283 -0.00008 -0.00089 -0.00011 -0.00100 1.90183 A3 1.92688 -0.00005 -0.00058 -0.00005 -0.00063 1.92625 A4 1.90277 -0.00008 -0.00089 -0.00011 -0.00099 1.90178 A5 1.92684 -0.00005 -0.00059 -0.00005 -0.00064 1.92620 A6 2.14066 0.00013 0.00183 0.00007 0.00190 2.14256 A7 1.58240 0.00012 0.00076 0.00031 0.00106 1.58346 A8 1.90279 -0.00008 -0.00089 -0.00011 -0.00100 1.90179 A9 1.92683 -0.00005 -0.00058 -0.00005 -0.00063 1.92620 A10 1.90282 -0.00008 -0.00089 -0.00011 -0.00100 1.90183 A11 1.92688 -0.00005 -0.00058 -0.00005 -0.00064 1.92624 A12 2.14066 0.00013 0.00183 0.00007 0.00190 2.14256 A13 1.55920 -0.00012 -0.00076 -0.00031 -0.00106 1.55814 A14 1.55919 -0.00012 -0.00076 -0.00031 -0.00106 1.55813 D1 -0.00008 0.00000 0.00000 0.00000 0.00000 -0.00008 D2 1.92697 -0.00005 -0.00079 -0.00001 -0.00080 1.92617 D3 -1.95661 0.00002 0.00042 -0.00006 0.00036 -1.95625 D4 0.00008 0.00000 0.00000 0.00000 0.00000 0.00008 D5 -1.92702 0.00005 0.00079 0.00002 0.00081 -1.92621 D6 1.95665 -0.00002 -0.00042 0.00006 -0.00036 1.95629 D7 0.00008 0.00000 0.00000 0.00000 0.00000 0.00008 D8 1.92718 -0.00005 -0.00079 -0.00002 -0.00081 1.92637 D9 -1.95648 0.00002 0.00042 -0.00006 0.00036 -1.95613 D10 -0.00008 0.00000 0.00000 0.00000 0.00000 -0.00008 D11 -1.92715 0.00005 0.00079 0.00002 0.00081 -1.92633 D12 1.95644 -0.00002 -0.00042 0.00006 -0.00035 1.95609 Item Value Threshold Converged? Maximum Force 0.000132 0.000450 YES RMS Force 0.000079 0.000300 YES Maximum Displacement 0.004540 0.001800 NO RMS Displacement 0.002186 0.001200 NO Predicted change in Energy=-1.072225D-06 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 13 0 -1.193123 -0.020595 0.893930 2 13 0 1.089420 2.262183 0.927066 3 17 0 -1.207883 2.276620 0.910256 4 17 0 1.104207 -0.035039 0.910556 5 17 0 -1.892317 -0.719739 2.742873 6 17 0 1.788773 2.961481 -0.921760 7 35 0 -1.959423 -0.787338 -1.053408 8 35 0 1.855552 3.028770 2.874532 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 Al 0.000000 2 Al 3.228340 0.000000 3 Cl 2.297321 2.297410 0.000000 4 Cl 2.297436 2.297329 3.269484 0.000000 5 Cl 2.096728 4.591271 3.578422 3.578457 0.000000 6 Cl 4.591428 2.096729 3.578444 3.578427 6.366423 7 Br 2.228729 4.745240 3.715996 3.716037 3.797476 8 Br 4.745085 2.228730 3.716012 3.715998 5.302375 6 7 8 6 Cl 0.000000 7 Br 5.302824 0.000000 8 Br 3.797476 6.674236 0.000000 Stoichiometry Al2Br2Cl4 Framework group C1[X(Al2Br2Cl4)] Deg. of freedom 18 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 13 0 1.499180 -0.598268 -0.000043 2 13 0 -1.499210 0.598325 0.000041 3 17 0 0.000037 0.000100 -1.634731 4 17 0 -0.000010 0.000131 1.634753 5 17 0 1.710809 -2.684288 0.000022 6 17 0 -1.711088 2.684320 -0.000020 7 35 0 3.242126 0.790750 0.000002 8 35 0 -3.241993 -0.790899 -0.000013 --------------------------------------------------------------------- Rotational constants (GHZ): 0.6254984 0.2325898 0.1938549 Standard basis: 6-31G(d,p) (6D, 7F) There are 174 symmetry adapted cartesian basis functions of A symmetry. There are 174 symmetry adapted basis functions of A symmetry. 174 basis functions, 478 primitive gaussians, 174 cartesian basis functions 82 alpha electrons 82 beta electrons nuclear repulsion energy 1673.7444080144 Hartrees. NAtoms= 8 NActive= 8 NUniq= 8 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= 174 RedAO= T EigKep= 6.80D-04 NBF= 174 NBsUse= 174 1.00D-06 EigRej= -1.00D+00 NBFU= 174 Initial guess from the checkpoint file: "\\icnas4.cc.ic.ac.uk\mt217\Documents\2ndInorganic\Lwes_acid_bases_miniproject\Isomer5.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 1.000000 0.000000 0.000000 0.000524 Ang= 0.06 deg. Keep R1 ints in memory in canonical form, NReq=118699583. 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) = -7469.53759000 A.U. after 7 cycles NFock= 7 Conv=0.23D-08 -V/T= 2.0053 Calling FoFJK, ICntrl= 2127 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 13 0.000007130 -0.000002819 -0.000008935 2 13 -0.000003284 0.000001315 0.000008643 3 17 -0.000005000 0.000010833 0.000000265 4 17 0.000001189 -0.000009341 0.000000113 5 17 -0.000001283 -0.000001135 -0.000003308 6 17 0.000001162 0.000001132 0.000003271 7 35 0.000000402 0.000000398 -0.000004809 8 35 -0.000000316 -0.000000382 0.000004760 ------------------------------------------------------------------- Cartesian Forces: Max 0.000010833 RMS 0.000004702 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000007402 RMS 0.000003583 Search for a local minimum. Step number 13 out of a maximum of 44 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 6 7 8 9 10 11 12 13 DE= -9.62D-07 DEPred=-1.07D-06 R= 8.98D-01 TightC=F SS= 1.41D+00 RLast= 5.19D-03 DXNew= 2.4000D+00 1.5573D-02 Trust test= 8.98D-01 RLast= 5.19D-03 DXMaxT set to 1.43D+00 ITU= 1 1 1 1 1 1 1 1 0 0 0 1 0 Eigenvalues --- 0.06108 0.08704 0.08882 0.10119 0.13643 Eigenvalues --- 0.15713 0.16530 0.17088 0.17684 0.18133 Eigenvalues --- 0.18133 0.18219 0.18219 0.20014 0.20394 Eigenvalues --- 2.53111 2.59810 2.84101 En-DIIS/RFO-DIIS IScMMF= 0 using points: 13 12 11 10 9 RFO step: Lambda= 0.00000000D+00. DidBck=F Rises=F RFO-DIIS coefs: 1.15440 -0.30484 0.18569 -0.03359 -0.00166 Iteration 1 RMS(Cart)= 0.00004549 RMS(Int)= 0.00000004 Iteration 2 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000004 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 4.34131 0.00001 0.00003 0.00000 0.00003 4.34134 R2 4.34152 0.00000 0.00003 0.00000 0.00002 4.34155 R3 3.96224 0.00000 -0.00001 0.00002 0.00000 3.96224 R4 4.21169 0.00000 0.00001 0.00000 0.00001 4.21169 R5 4.34148 0.00000 0.00003 0.00000 0.00003 4.34150 R6 4.34132 0.00001 0.00003 0.00000 0.00003 4.34135 R7 3.96224 0.00000 -0.00001 0.00002 0.00000 3.96225 R8 4.21169 0.00000 0.00001 0.00000 0.00001 4.21170 A1 1.58346 0.00001 0.00006 0.00000 0.00006 1.58351 A2 1.90183 0.00000 -0.00002 -0.00001 -0.00003 1.90180 A3 1.92625 0.00000 -0.00001 0.00001 0.00001 1.92625 A4 1.90178 0.00000 -0.00002 -0.00001 -0.00003 1.90175 A5 1.92620 0.00000 -0.00001 0.00001 0.00001 1.92621 A6 2.14256 0.00000 0.00001 0.00000 0.00000 2.14257 A7 1.58346 0.00001 0.00006 0.00000 0.00006 1.58352 A8 1.90179 0.00000 -0.00002 -0.00001 -0.00003 1.90176 A9 1.92620 0.00000 -0.00001 0.00001 0.00001 1.92621 A10 1.90183 0.00000 -0.00002 -0.00001 -0.00003 1.90180 A11 1.92624 0.00000 -0.00001 0.00001 0.00001 1.92625 A12 2.14256 0.00000 0.00001 0.00000 0.00000 2.14256 A13 1.55814 -0.00001 -0.00006 0.00000 -0.00006 1.55808 A14 1.55813 -0.00001 -0.00006 0.00000 -0.00006 1.55807 D1 -0.00008 0.00000 0.00000 0.00000 0.00000 -0.00008 D2 1.92617 0.00000 0.00000 -0.00001 -0.00001 1.92615 D3 -1.95625 0.00000 -0.00001 -0.00002 -0.00003 -1.95628 D4 0.00008 0.00000 0.00000 0.00000 0.00000 0.00008 D5 -1.92621 0.00000 0.00000 0.00001 0.00001 -1.92619 D6 1.95629 0.00000 0.00001 0.00002 0.00003 1.95632 D7 0.00008 0.00000 0.00000 0.00000 0.00000 0.00008 D8 1.92637 0.00000 0.00000 -0.00002 -0.00002 1.92635 D9 -1.95613 0.00000 -0.00001 -0.00002 -0.00003 -1.95616 D10 -0.00008 0.00000 0.00000 0.00000 0.00000 -0.00008 D11 -1.92633 0.00000 0.00000 0.00002 0.00002 -1.92632 D12 1.95609 0.00000 0.00001 0.00002 0.00003 1.95612 Item Value Threshold Converged? Maximum Force 0.000007 0.000450 YES RMS Force 0.000004 0.000300 YES Maximum Displacement 0.000091 0.001800 YES RMS Displacement 0.000045 0.001200 YES Predicted change in Energy=-1.339525D-09 Optimization completed. -- Stationary point found. ---------------------------- ! Optimized Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,3) 2.2973 -DE/DX = 0.0 ! ! R2 R(1,4) 2.2974 -DE/DX = 0.0 ! ! R3 R(1,5) 2.0967 -DE/DX = 0.0 ! ! R4 R(1,7) 2.2287 -DE/DX = 0.0 ! ! R5 R(2,3) 2.2974 -DE/DX = 0.0 ! ! R6 R(2,4) 2.2973 -DE/DX = 0.0 ! ! R7 R(2,6) 2.0967 -DE/DX = 0.0 ! ! R8 R(2,8) 2.2287 -DE/DX = 0.0 ! ! A1 A(3,1,4) 90.7254 -DE/DX = 0.0 ! ! A2 A(3,1,5) 108.9668 -DE/DX = 0.0 ! ! A3 A(3,1,7) 110.3657 -DE/DX = 0.0 ! ! A4 A(4,1,5) 108.9641 -DE/DX = 0.0 ! ! A5 A(4,1,7) 110.3634 -DE/DX = 0.0 ! ! A6 A(5,1,7) 122.7597 -DE/DX = 0.0 ! ! A7 A(3,2,4) 90.7258 -DE/DX = 0.0 ! ! A8 A(3,2,6) 108.9644 -DE/DX = 0.0 ! ! A9 A(3,2,8) 110.3631 -DE/DX = 0.0 ! ! A10 A(4,2,6) 108.9667 -DE/DX = 0.0 ! ! A11 A(4,2,8) 110.3655 -DE/DX = 0.0 ! ! A12 A(6,2,8) 122.7597 -DE/DX = 0.0 ! ! A13 A(1,3,2) 89.2748 -DE/DX = 0.0 ! ! A14 A(1,4,2) 89.274 -DE/DX = 0.0 ! ! D1 D(4,1,3,2) -0.0046 -DE/DX = 0.0 ! ! D2 D(5,1,3,2) 110.3611 -DE/DX = 0.0 ! ! D3 D(7,1,3,2) -112.0848 -DE/DX = 0.0 ! ! D4 D(3,1,4,2) 0.0046 -DE/DX = 0.0 ! ! D5 D(5,1,4,2) -110.3637 -DE/DX = 0.0 ! ! D6 D(7,1,4,2) 112.087 -DE/DX = 0.0 ! ! D7 D(4,2,3,1) 0.0046 -DE/DX = 0.0 ! ! D8 D(6,2,3,1) 110.3729 -DE/DX = 0.0 ! ! D9 D(8,2,3,1) -112.0777 -DE/DX = 0.0 ! ! D10 D(3,2,4,1) -0.0046 -DE/DX = 0.0 ! ! D11 D(6,2,4,1) -110.3708 -DE/DX = 0.0 ! ! D12 D(8,2,4,1) 112.0755 -DE/DX = 0.0 ! -------------------------------------------------------------------------------- GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 13 0 -1.193123 -0.020595 0.893930 2 13 0 1.089420 2.262183 0.927066 3 17 0 -1.207883 2.276620 0.910256 4 17 0 1.104207 -0.035039 0.910556 5 17 0 -1.892317 -0.719739 2.742873 6 17 0 1.788773 2.961481 -0.921760 7 35 0 -1.959423 -0.787338 -1.053408 8 35 0 1.855552 3.028770 2.874532 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 Al 0.000000 2 Al 3.228340 0.000000 3 Cl 2.297321 2.297410 0.000000 4 Cl 2.297436 2.297329 3.269484 0.000000 5 Cl 2.096728 4.591271 3.578422 3.578457 0.000000 6 Cl 4.591428 2.096729 3.578444 3.578427 6.366423 7 Br 2.228729 4.745240 3.715996 3.716037 3.797476 8 Br 4.745085 2.228730 3.716012 3.715998 5.302375 6 7 8 6 Cl 0.000000 7 Br 5.302824 0.000000 8 Br 3.797476 6.674236 0.000000 Stoichiometry Al2Br2Cl4 Framework group C1[X(Al2Br2Cl4)] Deg. of freedom 18 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 13 0 1.499180 -0.598268 -0.000043 2 13 0 -1.499210 0.598325 0.000041 3 17 0 0.000037 0.000100 -1.634731 4 17 0 -0.000010 0.000131 1.634753 5 17 0 1.710809 -2.684288 0.000022 6 17 0 -1.711088 2.684320 -0.000020 7 35 0 3.242126 0.790750 0.000002 8 35 0 -3.241993 -0.790899 -0.000013 --------------------------------------------------------------------- Rotational constants (GHZ): 0.6254984 0.2325898 0.1938549 ********************************************************************** 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) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (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) The electronic state is 1-A. Alpha occ. eigenvalues -- -482.92850-482.92840-101.60398-101.60398-101.55033 Alpha occ. eigenvalues -- -101.55033 -61.89140 -61.89045 -56.40781 -56.40779 Alpha occ. eigenvalues -- -56.40603 -56.40595 -56.40594 -56.40592 -56.16932 Alpha occ. eigenvalues -- -56.16932 -9.52438 -9.52435 -9.46895 -9.46894 Alpha occ. eigenvalues -- -8.60039 -8.60010 -7.28311 -7.28308 -7.28237 Alpha occ. eigenvalues -- -7.28236 -7.27887 -7.27883 -7.22932 -7.22932 Alpha occ. eigenvalues -- -7.22470 -7.22469 -7.22450 -7.22449 -6.54925 Alpha occ. eigenvalues -- -6.54925 -6.54263 -6.54263 -6.54238 -6.54238 Alpha occ. eigenvalues -- -4.24704 -4.24704 -2.80158 -2.80158 -2.80080 Alpha occ. eigenvalues -- -2.80076 -2.79891 -2.79890 -2.66573 -2.66573 Alpha occ. eigenvalues -- -2.66376 -2.66375 -2.66356 -2.66356 -2.65828 Alpha occ. eigenvalues -- -2.65828 -2.65827 -2.65827 -0.90344 -0.88087 Alpha occ. eigenvalues -- -0.83154 -0.82967 -0.78312 -0.78211 -0.50476 Alpha occ. eigenvalues -- -0.50285 -0.45695 -0.42799 -0.42518 -0.40690 Alpha occ. eigenvalues -- -0.40372 -0.39507 -0.38834 -0.36981 -0.35122 Alpha occ. eigenvalues -- -0.34810 -0.34451 -0.34236 -0.32551 -0.31977 Alpha occ. eigenvalues -- -0.31970 -0.31761 Alpha virt. eigenvalues -- -0.05286 -0.03700 -0.02563 0.01775 0.02226 Alpha virt. eigenvalues -- 0.03209 0.03655 0.05699 0.08160 0.11842 Alpha virt. eigenvalues -- 0.12707 0.14900 0.15202 0.16801 0.17976 Alpha virt. eigenvalues -- 0.19317 0.26130 0.29494 0.29692 0.31337 Alpha virt. eigenvalues -- 0.31441 0.33150 0.33778 0.37021 0.37255 Alpha virt. eigenvalues -- 0.38294 0.39163 0.41087 0.42619 0.43974 Alpha virt. eigenvalues -- 0.44055 0.44178 0.44411 0.45644 0.46712 Alpha virt. eigenvalues -- 0.48426 0.50103 0.51967 0.52965 0.53440 Alpha virt. eigenvalues -- 0.54000 0.54811 0.54845 0.55706 0.57168 Alpha virt. eigenvalues -- 0.57750 0.58180 0.61006 0.61850 0.64347 Alpha virt. eigenvalues -- 0.64736 0.64992 0.65803 0.66285 0.67657 Alpha virt. eigenvalues -- 0.70553 0.71284 0.75548 0.80408 0.82440 Alpha virt. eigenvalues -- 0.85010 0.85298 0.85750 0.86491 0.86715 Alpha virt. eigenvalues -- 0.89139 0.91489 0.91722 0.95300 0.96076 Alpha virt. eigenvalues -- 0.96510 0.97379 1.00319 1.02794 1.09697 Alpha virt. eigenvalues -- 1.09732 1.10337 1.15222 1.25951 1.26507 Alpha virt. eigenvalues -- 1.67594 1.72989 2.04457 2.05009 4.20692 Alpha virt. eigenvalues -- 4.24359 4.26279 4.28553 8.73601 8.79114 Alpha virt. eigenvalues -- 75.73888 76.80118 Molecular Orbital Coefficients: 1 2 3 4 5 O O O O O Eigenvalues -- -482.92850-482.92840-101.60398-101.60398-101.55033 1 1 Al 1S -0.00001 0.00000 0.00000 0.00000 0.00000 2 2S 0.00003 0.00000 -0.00001 -0.00001 -0.00002 3 2PX 0.00000 -0.00002 0.00001 0.00001 0.00000 4 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 5 2PZ 0.00000 0.00000 0.00001 -0.00001 0.00000 6 3S -0.00033 0.00027 -0.00003 -0.00002 0.00013 7 3PX 0.00013 0.00004 -0.00005 -0.00004 0.00000 8 3PY -0.00004 -0.00002 0.00002 0.00002 -0.00008 9 3PZ 0.00000 0.00000 -0.00005 0.00007 0.00000 10 4S 0.00229 -0.00262 -0.00012 -0.00009 -0.00018 11 4PX 0.00135 -0.00062 0.00003 0.00002 0.00000 12 4PY 0.00220 -0.00102 -0.00001 -0.00001 0.00024 13 4PZ 0.00000 0.00000 0.00007 -0.00008 0.00000 14 5XX 0.00002 -0.00002 0.00004 0.00003 -0.00006 15 5YY 0.00003 -0.00001 0.00000 0.00000 0.00003 16 5ZZ 0.00008 -0.00006 0.00006 0.00005 -0.00005 17 5XY -0.00007 0.00010 -0.00003 -0.00002 -0.00001 18 5XZ 0.00000 0.00000 0.00005 -0.00007 0.00000 19 5YZ 0.00000 0.00000 -0.00002 0.00003 0.00000 20 2 Al 1S -0.00001 0.00000 0.00000 0.00000 0.00000 21 2S 0.00003 0.00000 -0.00001 -0.00001 0.00000 22 2PX 0.00000 -0.00002 -0.00001 -0.00001 0.00000 23 2PY -0.00001 0.00000 0.00000 0.00000 0.00000 24 2PZ 0.00000 0.00000 0.00001 -0.00001 0.00000 25 3S -0.00032 -0.00028 -0.00003 -0.00002 0.00002 26 3PX -0.00013 0.00004 0.00005 0.00004 0.00002 27 3PY 0.00004 -0.00002 -0.00002 -0.00002 0.00000 28 3PZ 0.00000 0.00000 -0.00005 0.00007 0.00000 29 4S 0.00224 0.00266 -0.00012 -0.00009 -0.00007 30 4PX -0.00134 -0.00065 -0.00003 -0.00002 -0.00007 31 4PY -0.00219 -0.00105 0.00001 0.00001 -0.00005 32 4PZ 0.00000 0.00000 0.00007 -0.00008 0.00000 33 5XX 0.00002 0.00002 0.00004 0.00003 0.00000 34 5YY 0.00003 0.00001 0.00000 0.00000 0.00000 35 5ZZ 0.00008 0.00006 0.00006 0.00005 0.00000 36 5XY -0.00006 -0.00010 -0.00003 -0.00002 -0.00001 37 5XZ 0.00000 0.00000 -0.00005 0.00007 0.00000 38 5YZ 0.00000 0.00000 0.00002 -0.00003 0.00000 39 3 Cl 1S 0.00000 0.00000 0.99004 -0.10879 -0.00001 40 2S 0.00003 0.00000 0.01508 -0.00166 0.00000 41 2PX 0.00000 0.00001 0.00000 0.00000 0.00000 42 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 43 2PZ 0.00002 0.00000 0.00004 0.00000 0.00000 44 3S 0.00013 0.00000 -0.02092 0.00230 -0.00001 45 3PX 0.00000 -0.00008 0.00000 0.00000 0.00001 46 3PY 0.00000 -0.00004 0.00000 0.00000 0.00000 47 3PZ -0.00008 0.00000 -0.00004 -0.00001 0.00001 48 4S -0.00084 -0.00001 0.00168 -0.00018 0.00002 49 4PX 0.00000 0.00060 0.00000 0.00000 -0.00001 50 4PY 0.00000 0.00016 0.00000 0.00000 0.00000 51 4PZ -0.00001 0.00000 -0.00001 0.00001 -0.00001 52 5XX -0.00001 0.00000 0.00750 -0.00081 0.00001 53 5YY 0.00007 0.00000 0.00752 -0.00082 0.00000 54 5ZZ 0.00003 0.00000 0.00749 -0.00084 0.00001 55 5XY -0.00002 0.00000 0.00001 0.00000 0.00000 56 5XZ 0.00000 0.00003 0.00000 0.00000 0.00000 57 5YZ 0.00000 0.00001 0.00000 0.00000 0.00000 58 4 Cl 1S 0.00000 0.00000 0.10879 0.99004 -0.00001 59 2S 0.00003 0.00000 0.00166 0.01508 0.00000 60 2PX 0.00000 0.00001 0.00000 0.00000 0.00000 61 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 62 2PZ -0.00002 0.00000 -0.00001 -0.00004 0.00000 63 3S 0.00013 0.00000 -0.00230 -0.02092 -0.00001 64 3PX 0.00000 -0.00008 0.00000 0.00000 0.00001 65 3PY 0.00000 -0.00004 0.00000 0.00000 0.00000 66 3PZ 0.00008 0.00000 0.00001 0.00003 -0.00001 67 4S -0.00084 -0.00001 0.00019 0.00168 0.00002 68 4PX 0.00000 0.00060 0.00000 0.00000 -0.00001 69 4PY 0.00000 0.00016 0.00000 0.00000 0.00000 70 4PZ 0.00001 0.00000 -0.00001 0.00002 0.00001 71 5XX -0.00001 0.00000 0.00083 0.00749 0.00001 72 5YY 0.00007 0.00000 0.00083 0.00752 0.00000 73 5ZZ 0.00003 0.00000 0.00081 0.00749 0.00001 74 5XY -0.00002 0.00000 0.00000 0.00001 0.00000 75 5XZ 0.00000 -0.00003 0.00000 0.00000 0.00000 76 5YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 77 5 Cl 1S 0.00000 0.00000 0.00001 0.00001 0.99548 78 2S -0.00003 -0.00001 0.00000 0.00000 0.01515 79 2PX -0.00001 0.00002 0.00000 0.00000 -0.00001 80 2PY 0.00000 0.00000 0.00000 0.00000 0.00004 81 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 3S -0.00003 -0.00003 -0.00001 -0.00001 -0.02105 83 3PX 0.00005 -0.00010 0.00000 0.00000 0.00001 84 3PY 0.00001 -0.00001 0.00001 0.00001 -0.00006 85 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 86 4S 0.00059 0.00018 0.00002 0.00002 0.00184 87 4PX -0.00029 0.00029 0.00001 0.00001 -0.00002 88 4PY -0.00010 0.00017 0.00000 0.00000 0.00007 89 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 5XX -0.00006 -0.00002 0.00001 0.00001 0.00753 91 5YY -0.00009 0.00002 0.00001 0.00001 0.00750 92 5ZZ -0.00006 0.00001 0.00001 0.00000 0.00753 93 5XY -0.00003 0.00002 0.00000 0.00000 0.00000 94 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 6 Cl 1S 0.00000 0.00000 0.00001 0.00001 0.03211 97 2S -0.00003 0.00001 0.00000 0.00000 0.00049 98 2PX 0.00001 0.00002 0.00000 0.00000 0.00000 99 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 100 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 3S -0.00003 0.00003 -0.00001 -0.00001 -0.00068 102 3PX -0.00005 -0.00010 0.00000 0.00000 0.00000 103 3PY -0.00001 -0.00001 -0.00001 -0.00001 0.00000 104 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4S 0.00060 -0.00017 0.00002 0.00002 0.00011 106 4PX 0.00028 0.00030 -0.00001 -0.00001 0.00001 107 4PY 0.00010 0.00018 0.00000 0.00000 -0.00001 108 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 109 5XX -0.00006 0.00002 0.00001 0.00001 0.00024 110 5YY -0.00009 -0.00002 0.00001 0.00001 0.00024 111 5ZZ -0.00006 -0.00001 0.00001 0.00000 0.00024 112 5XY -0.00003 -0.00002 0.00000 0.00000 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 7 Br 1S 0.70930 -0.69764 0.00000 0.00000 0.00000 116 2S 0.02331 -0.02277 -0.00001 -0.00001 0.00001 117 3S -0.03181 0.03078 0.00002 0.00002 -0.00002 118 4S -0.03208 0.03102 0.00003 0.00002 -0.00001 119 5S -0.01593 0.01608 0.00002 0.00002 0.00005 120 6S -0.02149 0.01864 0.00002 0.00002 -0.00018 121 7PX -0.00002 0.00002 0.00000 0.00000 0.00000 122 7PY -0.00001 0.00001 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00007 -0.00006 0.00000 0.00000 0.00000 125 8PY 0.00004 -0.00004 0.00000 0.00000 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX -0.00038 0.00032 -0.00001 -0.00001 -0.00001 128 9PY -0.00023 0.00019 0.00000 0.00000 0.00000 129 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 10PX 0.00113 -0.00088 0.00001 0.00001 0.00003 131 10PY 0.00067 -0.00052 -0.00001 -0.00001 -0.00002 132 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 11XX 0.03072 -0.02964 -0.00003 -0.00002 0.00002 134 11YY 0.03071 -0.02964 -0.00003 -0.00002 0.00002 135 11ZZ 0.03071 -0.02964 -0.00003 -0.00002 0.00002 136 11XY 0.00001 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00933 -0.00859 -0.00001 -0.00001 0.00005 140 12YY 0.00941 -0.00864 0.00001 0.00000 0.00005 141 12ZZ 0.00939 -0.00865 0.00000 0.00000 0.00005 142 12XY -0.00005 0.00002 0.00000 0.00000 0.00001 143 12XZ 0.00000 0.00000 -0.00001 0.00001 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.69767 0.70927 0.00000 0.00000 0.00000 146 2S 0.02293 0.02315 -0.00001 -0.00001 0.00000 147 3S -0.03130 -0.03130 0.00002 0.00002 -0.00001 148 4S -0.03156 -0.03155 0.00003 0.00002 -0.00001 149 5S -0.01566 -0.01634 0.00002 0.00002 0.00001 150 6S -0.02118 -0.01899 0.00002 0.00002 -0.00006 151 7PX 0.00002 0.00002 0.00000 0.00000 0.00000 152 7PY 0.00001 0.00001 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX -0.00007 -0.00006 0.00000 0.00000 0.00000 155 8PY -0.00004 -0.00004 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00037 0.00032 0.00001 0.00001 0.00000 158 9PY 0.00023 0.00019 0.00000 0.00000 0.00000 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX -0.00112 -0.00089 -0.00001 -0.00001 0.00001 161 10PY -0.00066 -0.00053 0.00001 0.00001 -0.00001 162 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 11XX 0.03022 0.03015 -0.00003 -0.00002 0.00001 164 11YY 0.03021 0.03014 -0.00003 -0.00002 0.00001 165 11ZZ 0.03022 0.03014 -0.00003 -0.00002 0.00001 166 11XY 0.00001 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00918 0.00874 -0.00001 -0.00001 0.00002 170 12YY 0.00927 0.00879 0.00001 0.00000 0.00001 171 12ZZ 0.00924 0.00880 0.00000 0.00000 0.00001 172 12XY -0.00005 -0.00002 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00001 -0.00001 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 7 8 9 10 O O O O O Eigenvalues -- -101.55033 -61.89140 -61.89045 -56.40781 -56.40779 1 1 Al 1S 0.00000 -0.00004 0.00002 -0.00012 -0.00017 2 2S 0.00000 0.00021 -0.00001 -0.00004 -0.00018 3 2PX 0.00000 -0.00002 -0.00014 0.00018 0.00024 4 2PY 0.00000 0.00010 -0.00002 0.00018 0.00016 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 3S 0.00001 -0.00268 0.00231 0.00444 0.00359 7 3PX -0.00002 0.00113 0.00033 0.00059 0.00002 8 3PY 0.00001 -0.00036 -0.00017 0.00002 0.00005 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 4S -0.00006 0.01937 -0.02277 0.00506 0.00872 11 4PX 0.00007 0.01154 -0.00540 0.00131 -0.00146 12 4PY 0.00004 0.01876 -0.00891 0.00334 0.00201 13 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 14 5XX 0.00001 0.00014 -0.00015 -0.00219 -0.00186 15 5YY 0.00000 0.00025 -0.00006 -0.00167 -0.00161 16 5ZZ 0.00000 0.00065 -0.00045 -0.00101 -0.00107 17 5XY 0.00000 -0.00055 0.00087 -0.00106 -0.00107 18 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 19 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 20 2 Al 1S 0.00000 -0.00004 -0.00002 -0.00011 0.00018 21 2S -0.00002 0.00021 0.00001 -0.00002 0.00018 22 2PX 0.00000 0.00002 -0.00014 -0.00016 0.00025 23 2PY 0.00000 -0.00010 -0.00002 -0.00016 0.00017 24 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 25 3S 0.00013 -0.00268 -0.00231 0.00413 -0.00394 26 3PX 0.00000 -0.00113 0.00033 -0.00059 0.00006 27 3PY 0.00008 0.00036 -0.00017 -0.00001 0.00005 28 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 29 4S -0.00017 0.01933 0.02280 0.00435 -0.00910 30 4PX 0.00000 -0.01152 -0.00542 -0.00142 -0.00135 31 4PY -0.00024 -0.01875 -0.00894 -0.00317 0.00227 32 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 33 5XX -0.00006 0.00014 0.00015 -0.00204 0.00203 34 5YY 0.00003 0.00025 0.00007 -0.00154 0.00174 35 5ZZ -0.00005 0.00065 0.00045 -0.00092 0.00115 36 5XY -0.00001 -0.00055 -0.00087 -0.00097 0.00115 37 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 38 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 39 3 Cl 1S -0.00001 0.00002 0.00000 0.00000 0.00000 40 2S 0.00000 0.00026 0.00000 0.00011 0.00000 41 2PX 0.00000 0.00000 0.00012 0.00000 0.00001 42 2PY 0.00000 0.00000 0.00006 0.00000 0.00003 43 2PZ 0.00000 0.00014 0.00000 0.00006 0.00000 44 3S -0.00001 0.00110 0.00000 0.00030 -0.00001 45 3PX -0.00001 0.00000 -0.00069 0.00000 0.00003 46 3PY 0.00000 0.00000 -0.00033 -0.00001 -0.00017 47 3PZ 0.00001 -0.00070 0.00000 -0.00030 0.00001 48 4S 0.00002 -0.00723 -0.00001 -0.00284 0.00011 49 4PX 0.00001 0.00000 0.00515 -0.00007 -0.00177 50 4PY 0.00000 0.00000 0.00137 0.00002 0.00060 51 4PZ -0.00001 -0.00010 0.00000 -0.00028 0.00001 52 5XX 0.00001 -0.00008 0.00000 0.00002 0.00000 53 5YY 0.00000 0.00058 0.00000 0.00019 -0.00001 54 5ZZ 0.00001 0.00027 0.00000 0.00011 0.00000 55 5XY 0.00000 -0.00021 0.00000 -0.00002 0.00000 56 5XZ 0.00000 0.00000 0.00030 -0.00001 -0.00015 57 5YZ 0.00000 0.00000 0.00010 0.00000 -0.00001 58 4 Cl 1S -0.00001 0.00002 0.00000 0.00000 0.00000 59 2S 0.00000 0.00026 0.00000 0.00011 0.00000 60 2PX 0.00000 0.00000 0.00012 0.00000 0.00001 61 2PY 0.00000 0.00000 0.00006 0.00000 0.00003 62 2PZ 0.00000 -0.00014 0.00000 -0.00006 0.00000 63 3S -0.00001 0.00110 0.00000 0.00030 -0.00001 64 3PX -0.00001 0.00000 -0.00069 0.00000 0.00003 65 3PY 0.00000 0.00000 -0.00033 -0.00001 -0.00017 66 3PZ -0.00001 0.00070 0.00000 0.00030 -0.00001 67 4S 0.00002 -0.00723 -0.00001 -0.00284 0.00011 68 4PX 0.00001 0.00000 0.00515 -0.00007 -0.00177 69 4PY 0.00000 0.00000 0.00137 0.00002 0.00060 70 4PZ 0.00001 0.00010 0.00000 0.00028 -0.00001 71 5XX 0.00001 -0.00008 0.00000 0.00002 0.00000 72 5YY 0.00000 0.00058 0.00000 0.00019 -0.00001 73 5ZZ 0.00001 0.00027 0.00000 0.00011 0.00000 74 5XY 0.00000 -0.00021 0.00000 -0.00002 0.00000 75 5XZ 0.00000 0.00000 -0.00030 0.00001 0.00015 76 5YZ 0.00000 0.00000 -0.00010 0.00000 0.00001 77 5 Cl 1S -0.03211 -0.00001 0.00000 0.00000 0.00000 78 2S -0.00049 -0.00023 -0.00005 0.00001 0.00008 79 2PX 0.00000 -0.00007 0.00015 0.00003 0.00001 80 2PY 0.00000 -0.00001 0.00001 0.00001 0.00001 81 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 3S 0.00067 -0.00033 -0.00028 0.00000 0.00013 83 3PX 0.00000 0.00043 -0.00082 -0.00010 -0.00005 84 3PY 0.00000 0.00009 -0.00006 -0.00001 -0.00002 85 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 86 4S -0.00001 0.00508 0.00150 -0.00017 -0.00166 87 4PX -0.00001 -0.00244 0.00251 -0.00014 0.00007 88 4PY 0.00001 -0.00088 0.00152 -0.00053 -0.00071 89 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 5XX -0.00025 -0.00046 -0.00016 0.00007 0.00019 91 5YY -0.00025 -0.00078 0.00016 -0.00004 0.00009 92 5ZZ -0.00025 -0.00049 0.00008 0.00001 0.00010 93 5XY 0.00000 -0.00022 0.00017 -0.00012 -0.00008 94 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 6 Cl 1S 0.99548 -0.00001 0.00000 0.00000 0.00000 97 2S 0.01515 -0.00023 0.00005 0.00001 -0.00008 98 2PX 0.00001 0.00007 0.00015 -0.00003 0.00002 99 2PY -0.00004 0.00001 0.00001 -0.00001 0.00001 100 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 3S -0.02105 -0.00033 0.00028 -0.00001 -0.00013 102 3PX -0.00001 -0.00042 -0.00082 0.00010 -0.00006 103 3PY 0.00006 -0.00009 -0.00006 0.00001 -0.00002 104 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4S 0.00184 0.00508 -0.00149 -0.00003 0.00167 106 4PX 0.00002 0.00244 0.00251 0.00014 0.00006 107 4PY -0.00007 0.00087 0.00152 0.00047 -0.00075 108 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 109 5XX 0.00753 -0.00046 0.00016 0.00005 -0.00020 110 5YY 0.00750 -0.00078 -0.00016 -0.00005 -0.00009 111 5ZZ 0.00753 -0.00049 -0.00008 0.00001 -0.00010 112 5XY 0.00000 -0.00022 -0.00017 -0.00011 0.00009 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 7 Br 1S 0.00000 -0.29792 0.29754 0.00009 0.00005 116 2S 0.00000 0.82805 -0.82577 0.00152 0.00129 117 3S -0.00001 -0.20454 0.20135 -0.00422 -0.00342 118 4S -0.00001 -0.28806 0.28560 -0.00288 -0.00234 119 5S 0.00001 -0.13367 0.13804 0.00388 0.00290 120 6S -0.00005 -0.18167 0.16100 -0.02165 -0.01688 121 7PX 0.00000 -0.00033 0.00032 0.57389 0.53203 122 7PY 0.00000 -0.00026 0.00026 0.43150 0.39492 123 7PZ 0.00000 0.00000 0.00000 0.00001 0.00001 124 8PX 0.00000 0.00058 -0.00051 0.03617 0.03353 125 8PY 0.00000 0.00035 -0.00029 0.02717 0.02485 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX 0.00001 -0.00319 0.00273 -0.01170 -0.01080 128 9PY 0.00000 -0.00194 0.00161 -0.00862 -0.00782 129 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 10PX -0.00001 0.00959 -0.00761 0.00717 0.00650 131 10PY 0.00001 0.00566 -0.00450 0.00487 0.00419 132 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 11XX 0.00001 0.26187 -0.25864 0.00411 0.00333 134 11YY 0.00001 0.26177 -0.25858 0.00408 0.00331 135 11ZZ 0.00001 0.26179 -0.25855 0.00409 0.00332 136 11XY 0.00000 0.00008 -0.00004 0.00001 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00001 0.07856 -0.07397 0.00572 0.00457 140 12YY 0.00001 0.07931 -0.07440 0.00593 0.00475 141 12ZZ 0.00001 0.07909 -0.07448 0.00586 0.00465 142 12XY 0.00000 -0.00045 0.00019 -0.00006 -0.00001 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00000 -0.29740 -0.29805 0.00008 -0.00006 146 2S 0.00001 0.82662 0.82720 0.00141 -0.00140 147 3S -0.00002 -0.20419 -0.20171 -0.00393 0.00375 148 4S -0.00001 -0.28757 -0.28610 -0.00268 0.00256 149 5S 0.00005 -0.13343 -0.13827 0.00363 -0.00320 150 6S -0.00018 -0.18139 -0.16131 -0.02023 0.01856 151 7PX 0.00000 0.00033 0.00032 -0.52934 0.57628 152 7PY 0.00000 0.00026 0.00026 -0.39851 0.42831 153 7PZ 0.00000 0.00000 0.00000 -0.00001 0.00001 154 8PX 0.00000 -0.00058 -0.00051 -0.03337 0.03632 155 8PY 0.00000 -0.00035 -0.00029 -0.02509 0.02695 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00002 0.00319 0.00274 0.01080 -0.01171 158 9PY 0.00000 0.00194 0.00161 0.00797 -0.00849 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX -0.00003 -0.00958 -0.00762 -0.00663 0.00705 161 10PY 0.00002 -0.00565 -0.00451 -0.00452 0.00457 162 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 11XX 0.00002 0.26142 0.25909 0.00383 -0.00365 164 11YY 0.00002 0.26132 0.25903 0.00380 -0.00363 165 11ZZ 0.00002 0.26134 0.25901 0.00381 -0.00364 166 11XY 0.00000 0.00008 0.00004 0.00001 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00004 0.07843 0.07411 0.00534 -0.00502 170 12YY 0.00005 0.07918 0.07454 0.00553 -0.00521 171 12ZZ 0.00005 0.07896 0.07461 0.00547 -0.00510 172 12XY 0.00001 -0.00045 -0.00019 -0.00005 0.00001 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 11 12 13 14 15 O O O O O Eigenvalues -- -56.40603 -56.40595 -56.40594 -56.40592 -56.16932 1 1 Al 1S 0.00002 0.00002 0.00000 0.00000 0.78054 2 2S 0.00038 -0.00005 0.00000 0.00000 0.00992 3 2PX 0.00000 -0.00003 0.00000 0.00000 -0.00005 4 2PY 0.00003 -0.00002 0.00000 0.00000 0.00002 5 2PZ 0.00000 0.00000 0.00001 -0.00003 0.00000 6 3S 0.00278 -0.00092 0.00000 0.00000 -0.02105 7 3PX -0.00013 0.00023 0.00000 0.00000 0.00010 8 3PY -0.00034 0.00025 0.00000 0.00000 0.00000 9 3PZ 0.00000 0.00000 -0.00023 0.00016 0.00000 10 4S -0.01240 0.00127 0.00000 0.00000 0.00217 11 4PX 0.00794 -0.00247 0.00000 0.00000 -0.00017 12 4PY -0.00544 0.00327 0.00000 0.00000 0.00004 13 4PZ 0.00000 0.00000 -0.00316 -0.00235 0.00000 14 5XX -0.00026 0.00007 0.00000 0.00000 0.00717 15 5YY -0.00007 0.00008 0.00000 0.00000 0.00724 16 5ZZ -0.00010 0.00050 0.00000 0.00000 0.00737 17 5XY -0.00016 0.00009 0.00000 0.00000 0.00002 18 5XZ 0.00000 0.00000 0.00010 -0.00011 0.00000 19 5YZ 0.00000 0.00000 -0.00015 -0.00015 0.00000 20 2 Al 1S -0.00002 0.00002 0.00000 0.00000 -0.61999 21 2S -0.00038 -0.00006 0.00000 0.00000 -0.00789 22 2PX 0.00000 0.00003 0.00000 0.00000 -0.00004 23 2PY 0.00003 0.00002 0.00000 0.00000 0.00002 24 2PZ 0.00000 0.00000 -0.00001 -0.00003 0.00000 25 3S -0.00276 -0.00097 0.00000 0.00000 0.01670 26 3PX -0.00012 -0.00023 0.00000 0.00000 0.00006 27 3PY -0.00033 -0.00025 0.00000 0.00000 0.00001 28 3PZ 0.00000 0.00000 0.00024 0.00013 0.00000 29 4S 0.01237 0.00151 0.00000 0.00000 -0.00174 30 4PX 0.00789 0.00262 0.00000 0.00000 -0.00020 31 4PY -0.00537 -0.00337 0.00000 0.00000 0.00004 32 4PZ 0.00000 0.00000 0.00289 -0.00268 0.00000 33 5XX 0.00026 0.00007 0.00000 0.00000 -0.00568 34 5YY 0.00006 0.00008 0.00000 0.00000 -0.00575 35 5ZZ 0.00010 0.00050 0.00000 0.00000 -0.00587 36 5XY 0.00015 0.00009 0.00000 0.00000 -0.00003 37 5XZ 0.00000 0.00000 0.00012 0.00010 0.00000 38 5YZ 0.00000 0.00000 -0.00013 0.00017 0.00000 39 3 Cl 1S 0.00000 0.00001 0.00000 0.00000 0.00000 40 2S 0.00000 0.00017 0.00000 0.00008 -0.00001 41 2PX 0.00006 0.00000 0.00000 0.00000 0.00001 42 2PY -0.00001 0.00000 0.00006 0.00000 0.00000 43 2PZ 0.00000 0.00000 0.00000 0.00005 0.00000 44 3S 0.00000 0.00040 0.00001 0.00021 0.00002 45 3PX -0.00035 0.00000 0.00006 0.00000 0.00001 46 3PY 0.00006 0.00000 -0.00033 0.00002 -0.00001 47 3PZ 0.00000 0.00003 -0.00002 -0.00029 -0.00001 48 4S 0.00004 -0.00385 -0.00011 -0.00202 0.00014 49 4PX 0.00245 0.00002 -0.00093 0.00005 0.00051 50 4PY -0.00028 0.00000 0.00095 -0.00005 -0.00018 51 4PZ 0.00001 -0.00101 0.00003 0.00061 0.00009 52 5XX 0.00000 0.00029 0.00000 0.00009 -0.00002 53 5YY 0.00000 0.00029 0.00000 0.00008 -0.00002 54 5ZZ 0.00000 0.00021 0.00001 0.00018 -0.00002 55 5XY 0.00000 -0.00007 0.00000 0.00004 0.00000 56 5XZ 0.00010 0.00000 -0.00003 0.00000 -0.00008 57 5YZ 0.00001 0.00000 0.00003 0.00000 0.00003 58 4 Cl 1S 0.00000 0.00001 0.00000 0.00000 0.00000 59 2S 0.00000 0.00017 0.00000 -0.00008 -0.00001 60 2PX 0.00006 0.00000 0.00000 0.00000 0.00001 61 2PY -0.00001 0.00000 -0.00006 0.00000 0.00000 62 2PZ 0.00000 0.00000 0.00000 0.00005 0.00000 63 3S 0.00000 0.00040 -0.00001 -0.00021 0.00002 64 3PX -0.00035 0.00000 -0.00006 0.00000 0.00001 65 3PY 0.00006 0.00000 0.00033 -0.00002 -0.00001 66 3PZ 0.00000 -0.00003 -0.00002 -0.00029 0.00001 67 4S 0.00004 -0.00385 0.00011 0.00202 0.00014 68 4PX 0.00245 0.00002 0.00093 -0.00005 0.00051 69 4PY -0.00028 0.00000 -0.00095 0.00005 -0.00018 70 4PZ -0.00001 0.00101 0.00003 0.00061 -0.00009 71 5XX 0.00000 0.00029 0.00000 -0.00009 -0.00002 72 5YY 0.00000 0.00029 0.00000 -0.00008 -0.00002 73 5ZZ 0.00000 0.00021 -0.00001 -0.00018 -0.00002 74 5XY 0.00000 -0.00007 0.00000 -0.00004 0.00000 75 5XZ -0.00010 0.00000 -0.00003 0.00000 0.00008 76 5YZ -0.00001 0.00000 0.00003 0.00000 -0.00003 77 5 Cl 1S 0.00001 0.00000 0.00000 0.00000 0.00000 78 2S 0.00007 -0.00008 0.00000 0.00000 -0.00003 79 2PX -0.00005 0.00005 0.00000 0.00000 0.00000 80 2PY 0.00003 -0.00003 0.00000 0.00000 0.00004 81 2PZ 0.00000 0.00000 0.00006 0.00006 0.00000 82 3S 0.00019 -0.00020 0.00000 0.00000 0.00014 83 3PX 0.00029 -0.00027 0.00000 0.00000 0.00001 84 3PY -0.00013 0.00013 0.00000 0.00000 -0.00017 85 3PZ 0.00000 0.00000 -0.00030 -0.00031 0.00000 86 4S -0.00136 0.00193 0.00000 0.00000 0.00078 87 4PX -0.00129 0.00087 0.00000 0.00000 -0.00006 88 4PY 0.00010 0.00012 0.00000 0.00000 0.00068 89 4PZ 0.00000 0.00000 0.00099 0.00089 0.00000 90 5XX 0.00014 -0.00017 0.00000 0.00000 -0.00008 91 5YY 0.00009 -0.00010 0.00000 0.00000 -0.00026 92 5ZZ 0.00018 -0.00011 0.00000 0.00000 -0.00008 93 5XY -0.00009 0.00006 0.00000 0.00000 0.00002 94 5XZ 0.00000 0.00000 0.00001 -0.00001 0.00000 95 5YZ 0.00000 0.00000 0.00007 0.00005 0.00000 96 6 Cl 1S -0.00001 0.00000 0.00000 0.00000 0.00000 97 2S -0.00007 -0.00008 0.00000 0.00000 0.00002 98 2PX -0.00005 -0.00005 0.00000 0.00000 0.00000 99 2PY 0.00003 0.00003 0.00000 0.00000 0.00003 100 2PZ 0.00000 0.00000 -0.00005 0.00006 0.00000 101 3S -0.00019 -0.00021 0.00000 0.00000 -0.00011 102 3PX 0.00028 0.00028 0.00000 0.00000 0.00001 103 3PY -0.00013 -0.00014 0.00000 0.00000 -0.00014 104 3PZ 0.00000 0.00000 0.00027 -0.00034 0.00000 105 4S 0.00132 0.00196 0.00000 0.00000 -0.00066 106 4PX -0.00128 -0.00089 0.00000 0.00000 -0.00005 107 4PY 0.00010 -0.00012 0.00000 0.00000 0.00056 108 4PZ 0.00000 0.00000 -0.00088 0.00100 0.00000 109 5XX -0.00014 -0.00017 0.00000 0.00000 0.00007 110 5YY -0.00009 -0.00011 0.00000 0.00000 0.00021 111 5ZZ -0.00017 -0.00012 0.00000 0.00000 0.00008 112 5XY 0.00009 0.00006 0.00000 0.00000 -0.00002 113 5XZ 0.00000 0.00000 0.00001 0.00001 0.00000 114 5YZ 0.00000 0.00000 0.00006 -0.00006 0.00000 115 7 Br 1S -0.00003 0.00003 0.00000 0.00000 0.00001 116 2S -0.00007 0.00007 0.00000 0.00000 0.00002 117 3S 0.00037 -0.00034 0.00000 0.00000 -0.00009 118 4S 0.00021 -0.00021 0.00000 0.00000 -0.00012 119 5S -0.00137 0.00073 0.00000 0.00000 -0.00052 120 6S 0.00467 -0.00279 0.00000 0.00000 0.00145 121 7PX -0.41595 0.41129 0.00025 0.00005 0.00020 122 7PY 0.56002 -0.54670 -0.00035 -0.00008 0.00015 123 7PZ 0.00009 -0.00047 0.72761 0.65216 0.00000 124 8PX -0.02615 0.02583 0.00002 0.00000 -0.00003 125 8PY 0.03516 -0.03429 -0.00002 -0.00001 -0.00002 126 8PZ 0.00001 -0.00003 0.04561 0.04087 0.00000 127 9PX 0.00832 -0.00803 0.00000 0.00000 0.00012 128 9PY -0.01083 0.01041 0.00001 0.00000 0.00009 129 9PZ 0.00000 0.00001 -0.01376 -0.01229 0.00000 130 10PX -0.00567 0.00463 0.00000 0.00000 -0.00054 131 10PY 0.00565 -0.00520 0.00000 0.00000 -0.00042 132 10PZ 0.00000 0.00000 0.00680 0.00599 0.00000 133 11XX -0.00039 0.00037 0.00000 0.00000 0.00010 134 11YY -0.00029 0.00029 0.00000 0.00000 0.00010 135 11ZZ -0.00034 0.00032 0.00000 0.00000 0.00011 136 11XY 0.00000 0.00000 0.00000 0.00000 -0.00001 137 11XZ 0.00000 0.00000 0.00002 0.00002 0.00000 138 11YZ 0.00000 0.00000 0.00002 0.00001 0.00000 139 12XX -0.00038 0.00023 0.00000 0.00000 -0.00024 140 12YY -0.00140 0.00099 0.00000 0.00000 -0.00023 141 12ZZ -0.00089 0.00069 0.00000 0.00000 -0.00022 142 12XY 0.00003 0.00003 0.00000 0.00000 -0.00004 143 12XZ 0.00000 0.00000 -0.00024 -0.00023 0.00000 144 12YZ 0.00000 0.00000 -0.00022 -0.00017 0.00000 145 8 Br 1S 0.00003 0.00003 0.00000 0.00000 0.00000 146 2S 0.00007 0.00007 0.00000 0.00000 -0.00001 147 3S -0.00036 -0.00035 0.00000 0.00000 0.00003 148 4S -0.00020 -0.00021 0.00000 0.00000 0.00007 149 5S 0.00135 0.00076 0.00000 0.00000 0.00047 150 6S -0.00462 -0.00288 0.00000 0.00000 -0.00140 151 7PX -0.40792 -0.41939 -0.00023 0.00002 0.00017 152 7PY 0.54921 0.55746 0.00033 -0.00005 0.00012 153 7PZ 0.00006 0.00037 -0.65215 0.72762 0.00000 154 8PX -0.02565 -0.02633 -0.00001 0.00000 -0.00002 155 8PY 0.03448 0.03496 0.00002 0.00000 -0.00002 156 8PZ 0.00000 0.00002 -0.04088 0.04560 0.00000 157 9PX 0.00817 0.00819 0.00000 0.00000 0.00011 158 9PY -0.01063 -0.01062 -0.00001 0.00000 0.00008 159 9PZ 0.00000 -0.00001 0.01233 -0.01372 0.00000 160 10PX -0.00558 -0.00474 0.00000 0.00000 -0.00046 161 10PY 0.00555 0.00530 0.00000 0.00000 -0.00036 162 10PZ 0.00000 0.00000 -0.00611 0.00670 0.00000 163 11XX 0.00039 0.00037 0.00000 0.00000 -0.00004 164 11YY 0.00028 0.00029 0.00000 0.00000 -0.00004 165 11ZZ 0.00034 0.00032 0.00000 0.00000 -0.00005 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00001 167 11XZ 0.00000 0.00000 0.00002 -0.00002 0.00000 168 11YZ 0.00000 0.00000 0.00002 -0.00002 0.00000 169 12XX 0.00037 0.00024 0.00000 0.00000 0.00025 170 12YY 0.00138 0.00102 0.00000 0.00000 0.00024 171 12ZZ 0.00088 0.00071 0.00000 0.00000 0.00025 172 12XY -0.00003 0.00003 0.00000 0.00000 0.00003 173 12XZ 0.00000 0.00000 -0.00022 0.00025 0.00000 174 12YZ 0.00000 0.00000 -0.00020 0.00019 0.00000 16 17 18 19 20 O O O O O Eigenvalues -- -56.16932 -9.52438 -9.52435 -9.46895 -9.46894 1 1 Al 1S 0.61999 0.00002 0.00000 0.00000 0.00000 2 2S 0.00784 -0.00007 0.00000 0.00001 0.00010 3 2PX -0.00003 0.00003 0.00000 -0.00002 -0.00003 4 2PY 0.00001 -0.00001 0.00000 -0.00005 0.00006 5 2PZ 0.00000 0.00000 0.00006 0.00000 0.00000 6 3S -0.01683 0.00081 0.00005 0.00037 0.00001 7 3PX 0.00019 -0.00122 -0.00007 0.00027 0.00003 8 3PY -0.00003 0.00052 0.00003 -0.00046 0.00033 9 3PZ 0.00000 -0.00004 0.00060 0.00000 0.00000 10 4S 0.00162 0.00628 0.00037 0.00436 -0.00778 11 4PX 0.00019 -0.00234 -0.00014 -0.00169 0.00184 12 4PY 0.00000 0.00123 0.00007 -0.00523 0.00177 13 4PZ 0.00000 -0.00013 0.00225 0.00000 0.00000 14 5XX 0.00577 0.00011 0.00001 -0.00005 -0.00002 15 5YY 0.00576 0.00000 0.00000 -0.00033 0.00039 16 5ZZ 0.00576 -0.00013 -0.00001 -0.00009 0.00015 17 5XY -0.00002 -0.00004 0.00000 0.00001 0.00000 18 5XZ 0.00000 0.00000 -0.00005 0.00000 0.00000 19 5YZ 0.00000 0.00000 0.00002 0.00000 0.00000 20 2 Al 1S 0.78054 0.00002 0.00000 0.00000 0.00000 21 2S 0.00988 -0.00007 0.00000 0.00002 -0.00010 22 2PX 0.00004 -0.00003 0.00000 0.00002 -0.00002 23 2PY -0.00002 0.00001 0.00000 0.00005 0.00006 24 2PZ 0.00000 0.00000 0.00006 0.00000 0.00000 25 3S -0.02115 0.00081 0.00005 0.00037 0.00002 26 3PX -0.00021 0.00122 0.00007 -0.00027 0.00001 27 3PY 0.00003 -0.00052 -0.00003 0.00043 0.00036 28 3PZ 0.00000 -0.00004 0.00060 0.00000 0.00000 29 4S 0.00207 0.00628 0.00038 0.00375 0.00809 30 4PX -0.00015 0.00234 0.00014 0.00155 0.00197 31 4PY -0.00001 -0.00123 -0.00007 0.00508 0.00217 32 4PZ 0.00000 -0.00013 0.00225 0.00000 0.00000 33 5XX 0.00724 0.00011 0.00001 -0.00006 0.00002 34 5YY 0.00724 0.00000 0.00000 -0.00030 -0.00041 35 5ZZ 0.00728 -0.00013 -0.00001 -0.00008 -0.00016 36 5XY -0.00001 -0.00004 0.00000 0.00001 0.00000 37 5XZ 0.00000 0.00000 0.00005 0.00000 0.00000 38 5YZ 0.00000 0.00000 -0.00002 0.00000 0.00000 39 3 Cl 1S 0.00000 -0.21286 0.18891 0.00002 0.00000 40 2S -0.00005 0.76491 -0.67859 0.00003 0.00000 41 2PX 0.00000 0.00000 0.00000 0.00000 0.00002 42 2PY 0.00000 0.00000 0.00000 0.00000 -0.00003 43 2PZ 0.00003 0.00272 -0.00244 0.00003 0.00000 44 3S 0.00015 0.05733 -0.05023 0.00026 0.00001 45 3PX 0.00000 0.00000 0.00000 0.00001 -0.00016 46 3PY 0.00000 0.00000 0.00000 -0.00001 0.00022 47 3PZ -0.00007 0.00096 -0.00070 -0.00016 -0.00001 48 4S 0.00122 -0.01843 0.01190 -0.00192 -0.00007 49 4PX -0.00006 0.00000 0.00000 -0.00005 0.00122 50 4PY 0.00002 0.00000 0.00000 0.00005 -0.00140 51 4PZ 0.00081 -0.00343 0.00132 -0.00012 0.00000 52 5XX -0.00018 -0.01167 0.01066 0.00014 0.00001 53 5YY -0.00014 -0.01170 0.01068 0.00003 0.00000 54 5ZZ -0.00020 -0.01172 0.01068 0.00009 0.00000 55 5XY 0.00002 -0.00003 0.00001 0.00011 0.00000 56 5XZ 0.00001 0.00000 0.00000 0.00000 0.00005 57 5YZ 0.00000 0.00000 0.00000 0.00000 -0.00009 58 4 Cl 1S 0.00000 -0.18889 -0.21288 0.00002 0.00000 59 2S -0.00005 0.67880 0.76472 0.00003 0.00000 60 2PX 0.00000 0.00000 0.00000 0.00000 0.00002 61 2PY 0.00000 0.00000 0.00000 0.00000 -0.00003 62 2PZ -0.00003 -0.00241 -0.00274 -0.00003 0.00000 63 3S 0.00015 0.05095 0.05669 0.00026 0.00001 64 3PX 0.00000 0.00000 0.00000 0.00001 -0.00016 65 3PY 0.00000 0.00000 0.00000 -0.00001 0.00022 66 3PZ 0.00007 -0.00087 -0.00081 0.00016 0.00001 67 4S 0.00122 -0.01688 -0.01400 -0.00192 -0.00007 68 4PX -0.00006 0.00000 0.00000 -0.00005 0.00122 69 4PY 0.00002 0.00000 0.00000 0.00005 -0.00140 70 4PZ -0.00081 0.00325 0.00172 0.00012 0.00000 71 5XX -0.00018 -0.01032 -0.01197 0.00014 0.00001 72 5YY -0.00014 -0.01035 -0.01200 0.00003 0.00000 73 5ZZ -0.00020 -0.01036 -0.01200 0.00009 0.00000 74 5XY 0.00002 -0.00003 -0.00001 0.00011 0.00000 75 5XZ -0.00001 0.00000 0.00000 0.00000 -0.00005 76 5YZ 0.00000 0.00000 0.00000 0.00000 0.00009 77 5 Cl 1S 0.00000 -0.00001 0.00000 -0.20883 0.19337 78 2S -0.00001 0.00012 0.00001 0.75030 -0.69469 79 2PX 0.00000 0.00002 0.00000 -0.00033 0.00030 80 2PY 0.00002 0.00002 0.00000 0.00276 -0.00256 81 2PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 82 3S 0.00014 0.00024 0.00001 0.05563 -0.05134 83 3PX -0.00001 -0.00013 -0.00001 -0.00021 0.00023 84 3PY -0.00011 -0.00008 0.00000 0.00092 -0.00084 85 3PZ 0.00000 0.00000 0.00008 0.00000 0.00000 86 4S 0.00043 -0.00150 -0.00009 -0.01586 0.01356 87 4PX -0.00004 0.00076 0.00005 0.00071 -0.00072 88 4PY 0.00045 -0.00041 -0.00002 -0.00248 0.00221 89 4PZ 0.00000 0.00003 -0.00048 0.00000 0.00000 90 5XX -0.00003 0.00007 0.00000 -0.01164 0.01089 91 5YY -0.00017 0.00006 0.00000 -0.01146 0.01070 92 5ZZ -0.00002 0.00012 0.00001 -0.01165 0.01088 93 5XY 0.00001 0.00008 0.00000 0.00001 0.00000 94 5XZ 0.00000 0.00000 -0.00003 0.00000 0.00000 95 5YZ 0.00000 0.00000 -0.00004 0.00000 0.00000 96 6 Cl 1S 0.00000 -0.00001 0.00000 -0.19337 -0.20884 97 2S -0.00001 0.00012 0.00001 0.69474 0.75025 98 2PX 0.00000 -0.00002 0.00000 0.00030 0.00032 99 2PY -0.00003 -0.00002 0.00000 -0.00256 -0.00276 100 2PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 101 3S 0.00017 0.00024 0.00001 0.05152 0.05546 102 3PX 0.00000 0.00013 0.00001 0.00019 0.00025 103 3PY 0.00014 0.00008 0.00000 -0.00085 -0.00091 104 3PZ 0.00000 0.00000 0.00008 0.00000 0.00000 105 4S 0.00059 -0.00150 -0.00009 -0.01477 -0.01473 106 4PX 0.00005 -0.00076 -0.00005 -0.00065 -0.00077 107 4PY -0.00059 0.00041 0.00002 0.00230 0.00239 108 4PZ 0.00000 0.00003 -0.00048 0.00000 0.00000 109 5XX -0.00005 0.00007 0.00000 -0.01077 -0.01175 110 5YY -0.00023 0.00006 0.00000 -0.01061 -0.01155 111 5ZZ -0.00004 0.00012 0.00001 -0.01078 -0.01174 112 5XY 0.00002 0.00008 0.00000 0.00001 0.00000 113 5XZ 0.00000 0.00000 0.00003 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00004 0.00000 0.00000 115 7 Br 1S 0.00002 0.00000 0.00000 0.00000 0.00000 116 2S 0.00006 0.00007 0.00000 -0.00012 0.00001 117 3S -0.00024 -0.00020 -0.00001 0.00035 -0.00002 118 4S -0.00021 -0.00004 0.00000 0.00005 -0.00002 119 5S -0.00017 0.00132 0.00008 -0.00107 -0.00056 120 6S 0.00008 -0.00404 -0.00024 0.00408 0.00143 121 7PX 0.00010 -0.00001 0.00000 0.00001 0.00000 122 7PY 0.00011 0.00001 0.00000 0.00000 0.00001 123 7PZ 0.00000 0.00000 0.00001 0.00000 0.00000 124 8PX -0.00001 0.00002 0.00000 -0.00002 0.00001 125 8PY -0.00001 -0.00003 0.00000 0.00001 -0.00003 126 8PZ 0.00000 0.00000 -0.00002 0.00000 0.00000 127 9PX 0.00004 -0.00018 -0.00001 0.00012 -0.00004 128 9PY 0.00005 0.00013 0.00001 -0.00010 0.00018 129 9PZ 0.00000 -0.00001 0.00012 0.00000 0.00000 130 10PX -0.00029 0.00113 0.00007 -0.00046 -0.00020 131 10PY -0.00025 -0.00014 -0.00001 0.00049 -0.00072 132 10PZ 0.00000 0.00003 -0.00053 0.00000 0.00000 133 11XX 0.00024 0.00017 0.00001 -0.00026 0.00003 134 11YY 0.00025 0.00013 0.00001 -0.00023 0.00001 135 11ZZ 0.00025 0.00013 0.00001 -0.00025 0.00001 136 11XY -0.00001 0.00000 0.00000 0.00001 -0.00002 137 11XZ 0.00000 0.00000 0.00001 0.00000 0.00000 138 11YZ 0.00000 0.00000 -0.00002 0.00000 0.00000 139 12XX 0.00007 0.00050 0.00003 -0.00075 -0.00028 140 12YY 0.00008 0.00084 0.00005 -0.00103 -0.00012 141 12ZZ 0.00013 0.00081 0.00005 -0.00082 -0.00015 142 12XY -0.00004 -0.00001 0.00000 -0.00011 0.00015 143 12XZ 0.00000 0.00000 -0.00001 0.00000 0.00000 144 12YZ 0.00000 -0.00001 0.00014 0.00000 0.00000 145 8 Br 1S 0.00002 0.00000 0.00000 0.00000 0.00000 146 2S 0.00007 0.00007 0.00000 -0.00012 -0.00002 147 3S -0.00026 -0.00020 -0.00001 0.00035 0.00004 148 4S -0.00023 -0.00004 0.00000 0.00005 0.00002 149 5S -0.00028 0.00132 0.00008 -0.00111 0.00048 150 6S 0.00040 -0.00404 -0.00024 0.00418 -0.00111 151 7PX -0.00014 0.00001 0.00000 -0.00001 0.00000 152 7PY -0.00014 -0.00001 0.00000 0.00000 0.00001 153 7PZ 0.00000 0.00000 0.00001 0.00000 0.00000 154 8PX 0.00002 -0.00002 0.00000 0.00002 0.00001 155 8PY 0.00002 0.00003 0.00000 -0.00001 -0.00003 156 8PZ 0.00000 0.00000 -0.00002 0.00000 0.00000 157 9PX -0.00006 0.00018 0.00001 -0.00012 -0.00005 158 9PY -0.00007 -0.00013 -0.00001 0.00009 0.00019 159 9PZ 0.00000 -0.00001 0.00012 0.00000 0.00000 160 10PX 0.00040 -0.00113 -0.00007 0.00047 -0.00016 161 10PY 0.00034 0.00014 0.00001 -0.00043 -0.00076 162 10PZ 0.00000 0.00003 -0.00053 0.00000 0.00000 163 11XX 0.00026 0.00017 0.00001 -0.00026 -0.00005 164 11YY 0.00026 0.00013 0.00001 -0.00023 -0.00003 165 11ZZ 0.00027 0.00013 0.00001 -0.00025 -0.00003 166 11XY -0.00001 0.00000 0.00000 0.00001 0.00002 167 11XZ 0.00000 0.00000 -0.00001 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00002 0.00000 0.00000 169 12XX 0.00001 0.00050 0.00003 -0.00077 0.00023 170 12YY 0.00003 0.00084 0.00005 -0.00104 0.00004 171 12ZZ 0.00008 0.00081 0.00005 -0.00082 0.00008 172 12XY -0.00004 -0.00001 0.00000 -0.00009 -0.00016 173 12XZ 0.00000 0.00000 0.00001 0.00000 0.00000 174 12YZ 0.00000 0.00001 -0.00014 0.00000 0.00000 21 22 23 24 25 O O O O O Eigenvalues -- -8.60039 -8.60010 -7.28311 -7.28308 -7.28237 1 1 Al 1S 0.00007 -0.00003 -0.00001 0.00000 0.00001 2 2S -0.00025 -0.00006 -0.00046 -0.00003 0.00005 3 2PX 0.00000 0.00021 -0.00021 -0.00001 -0.00004 4 2PY -0.00015 0.00003 0.00008 0.00000 0.00001 5 2PZ 0.00000 0.00000 -0.00001 0.00015 -0.00009 6 3S 0.00341 -0.00308 -0.00093 -0.00005 0.00129 7 3PX -0.00160 -0.00038 0.00058 0.00003 -0.00015 8 3PY 0.00047 0.00030 -0.00016 -0.00001 0.00007 9 3PZ 0.00000 0.00000 -0.00003 0.00051 -0.00069 10 4S -0.02795 0.03385 0.02253 0.00127 -0.00028 11 4PX -0.01673 0.00750 -0.00880 -0.00050 -0.00027 12 4PY -0.02708 0.01307 0.00371 0.00021 -0.00005 13 4PZ 0.00000 0.00000 -0.00021 0.00376 0.00160 14 5XX -0.00010 0.00006 -0.00107 -0.00006 -0.00037 15 5YY -0.00018 -0.00005 -0.00016 -0.00001 -0.00021 16 5ZZ -0.00075 0.00046 -0.00089 -0.00005 -0.00050 17 5XY 0.00074 -0.00121 0.00058 0.00003 0.00009 18 5XZ 0.00000 0.00000 -0.00004 0.00066 -0.00073 19 5YZ 0.00000 0.00000 0.00001 -0.00026 0.00029 20 2 Al 1S 0.00007 0.00003 0.00001 0.00000 0.00001 21 2S -0.00025 0.00006 0.00046 0.00003 0.00005 22 2PX 0.00000 0.00021 -0.00021 -0.00001 0.00004 23 2PY 0.00015 0.00004 0.00008 0.00000 -0.00001 24 2PZ 0.00000 0.00000 0.00001 -0.00015 -0.00009 25 3S 0.00340 0.00310 0.00093 0.00005 0.00129 26 3PX 0.00160 -0.00037 0.00058 0.00003 0.00015 27 3PY -0.00047 0.00029 -0.00016 -0.00001 -0.00007 28 3PZ 0.00000 0.00000 0.00003 -0.00051 -0.00069 29 4S -0.02776 -0.03401 -0.02253 -0.00127 -0.00027 30 4PX 0.01668 0.00759 -0.00880 -0.00050 0.00028 31 4PY 0.02701 0.01323 0.00371 0.00021 0.00004 32 4PZ 0.00000 0.00000 0.00021 -0.00376 0.00160 33 5XX -0.00010 -0.00006 0.00108 0.00006 -0.00037 34 5YY -0.00018 0.00005 0.00016 0.00001 -0.00021 35 5ZZ -0.00075 -0.00047 0.00089 0.00005 -0.00050 36 5XY 0.00074 0.00122 -0.00058 -0.00003 0.00009 37 5XZ 0.00000 0.00000 -0.00004 0.00066 0.00073 38 5YZ 0.00000 0.00000 0.00001 -0.00026 -0.00029 39 3 Cl 1S -0.00004 0.00000 0.00000 0.00000 0.00100 40 2S -0.00034 0.00000 0.00000 0.00000 -0.00357 41 2PX 0.00000 -0.00014 0.68689 -0.61361 -0.00019 42 2PY 0.00000 -0.00007 -0.27167 0.24276 0.00002 43 2PZ -0.00016 0.00000 0.00015 -0.00014 0.86939 44 3S -0.00166 0.00000 0.00000 0.00000 0.00032 45 3PX 0.00000 0.00102 0.02174 -0.01889 -0.00001 46 3PY 0.00000 0.00046 -0.00858 0.00747 0.00000 47 3PZ 0.00095 0.00000 0.00000 0.00000 0.02623 48 4S 0.01046 0.00003 0.00000 0.00000 -0.00048 49 4PX 0.00002 -0.00768 -0.01166 0.00736 0.00000 50 4PY 0.00001 -0.00199 0.00450 -0.00291 0.00000 51 4PZ 0.00024 0.00000 0.00000 0.00000 -0.00894 52 5XX 0.00012 0.00000 0.00000 0.00000 0.00025 53 5YY -0.00079 0.00000 0.00000 0.00000 0.00015 54 5ZZ -0.00037 0.00000 0.00000 0.00000 0.00045 55 5XY 0.00029 0.00000 0.00000 0.00000 -0.00005 56 5XZ 0.00000 -0.00042 0.00014 -0.00026 0.00000 57 5YZ 0.00000 -0.00015 -0.00007 0.00010 0.00000 58 4 Cl 1S -0.00004 0.00000 0.00000 0.00000 -0.00054 59 2S -0.00034 0.00000 0.00000 0.00000 0.00194 60 2PX 0.00000 -0.00014 0.61354 0.68695 -0.00008 61 2PY 0.00000 -0.00007 -0.24265 -0.27177 0.00006 62 2PZ 0.00016 0.00000 0.00013 0.00015 0.47498 63 3S -0.00166 0.00000 0.00000 0.00000 -0.00012 64 3PX 0.00000 0.00102 0.01948 0.02122 0.00000 65 3PY 0.00000 0.00046 -0.00768 -0.00839 0.00000 66 3PZ -0.00095 0.00000 0.00000 0.00000 0.01450 67 4S 0.01046 0.00003 0.00000 0.00000 -0.00016 68 4PX 0.00002 -0.00768 -0.01075 -0.00862 0.00000 69 4PY 0.00000 -0.00199 0.00415 0.00339 0.00000 70 4PZ -0.00024 0.00000 0.00000 0.00000 -0.00540 71 5XX 0.00012 0.00000 0.00000 0.00000 -0.00023 72 5YY -0.00079 0.00000 0.00000 0.00000 -0.00017 73 5ZZ -0.00037 0.00000 0.00000 0.00000 -0.00016 74 5XY 0.00029 0.00000 0.00000 0.00000 0.00003 75 5XZ 0.00000 0.00042 -0.00011 -0.00027 0.00000 76 5YZ 0.00000 0.00015 0.00005 0.00011 0.00000 77 5 Cl 1S 0.00004 0.00000 0.00001 0.00000 0.00000 78 2S 0.00023 0.00010 0.00016 0.00001 -0.00001 79 2PX 0.00009 -0.00018 -0.00005 0.00000 0.00001 80 2PY 0.00002 -0.00001 -0.00011 -0.00001 -0.00003 81 2PZ 0.00000 0.00000 0.00000 0.00004 0.00010 82 3S 0.00077 0.00039 0.00056 0.00003 -0.00003 83 3PX -0.00062 0.00113 -0.00017 -0.00001 0.00002 84 3PY -0.00014 0.00011 -0.00011 -0.00001 -0.00007 85 3PZ 0.00000 0.00000 0.00000 0.00009 0.00024 86 4S -0.00720 -0.00238 -0.00404 -0.00023 0.00015 87 4PX 0.00356 -0.00356 0.00127 0.00007 0.00003 88 4PY 0.00129 -0.00229 -0.00131 -0.00007 0.00009 89 4PZ 0.00000 0.00000 0.00004 -0.00064 -0.00063 90 5XX 0.00050 0.00025 0.00025 0.00001 -0.00003 91 5YY 0.00092 -0.00017 0.00012 0.00001 -0.00004 92 5ZZ 0.00053 -0.00004 0.00022 0.00001 -0.00003 93 5XY 0.00030 -0.00024 0.00009 0.00000 0.00001 94 5XZ 0.00000 0.00000 0.00000 -0.00006 0.00004 95 5YZ 0.00000 0.00000 0.00000 -0.00006 -0.00001 96 6 Cl 1S 0.00004 0.00000 -0.00001 0.00000 0.00000 97 2S 0.00023 -0.00010 -0.00016 -0.00001 -0.00001 98 2PX -0.00009 -0.00018 -0.00005 0.00000 -0.00001 99 2PY -0.00002 -0.00001 -0.00011 -0.00001 0.00003 100 2PZ 0.00000 0.00000 0.00000 -0.00004 0.00010 101 3S 0.00077 -0.00038 -0.00056 -0.00003 -0.00003 102 3PX 0.00061 0.00114 -0.00017 -0.00001 -0.00002 103 3PY 0.00014 0.00011 -0.00011 -0.00001 0.00007 104 3PZ 0.00000 0.00000 0.00001 -0.00009 0.00024 105 4S -0.00721 0.00234 0.00404 0.00023 0.00014 106 4PX -0.00354 -0.00358 0.00127 0.00007 -0.00003 107 4PY -0.00128 -0.00230 -0.00131 -0.00007 -0.00009 108 4PZ 0.00000 0.00000 -0.00004 0.00064 -0.00063 109 5XX 0.00050 -0.00025 -0.00025 -0.00001 -0.00003 110 5YY 0.00092 0.00017 -0.00012 -0.00001 -0.00004 111 5ZZ 0.00053 0.00005 -0.00022 -0.00001 -0.00003 112 5XY 0.00030 0.00024 -0.00009 0.00000 0.00001 113 5XZ 0.00000 0.00000 0.00000 -0.00006 -0.00004 114 5YZ 0.00000 0.00000 0.00000 -0.00006 0.00001 115 7 Br 1S 0.11885 -0.11824 0.00001 0.00000 0.00000 116 2S -0.66779 0.66358 0.00004 0.00000 -0.00002 117 3S 0.61847 -0.61326 -0.00021 -0.00001 0.00009 118 4S 0.88280 -0.87789 0.00005 0.00000 -0.00003 119 5S 0.18789 -0.19463 0.00275 0.00016 -0.00034 120 6S 0.25781 -0.22992 -0.00834 -0.00047 0.00115 121 7PX 0.00112 -0.00109 -0.00001 0.00000 0.00000 122 7PY 0.00084 -0.00082 0.00001 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00001 124 8PX -0.00294 0.00285 0.00002 0.00000 -0.00001 125 8PY -0.00219 0.00211 -0.00003 0.00000 -0.00001 126 8PZ 0.00000 0.00000 0.00000 -0.00002 -0.00004 127 9PX 0.00424 -0.00366 -0.00028 -0.00002 0.00008 128 9PY 0.00256 -0.00211 0.00016 0.00001 0.00005 129 9PZ 0.00000 0.00000 -0.00001 0.00013 0.00026 130 10PX -0.01363 0.01100 0.00239 0.00013 -0.00010 131 10PY -0.00806 0.00645 0.00019 0.00001 -0.00011 132 10PZ 0.00000 0.00000 0.00004 -0.00070 -0.00063 133 11XX -0.31428 0.31125 0.00018 0.00001 -0.00007 134 11YY -0.31437 0.31139 0.00014 0.00001 -0.00007 135 11ZZ -0.31473 0.31169 0.00014 0.00001 -0.00006 136 11XY 0.00044 -0.00048 0.00002 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00002 -0.00002 138 11YZ 0.00000 0.00000 0.00000 -0.00003 0.00000 139 12XX -0.11026 0.10432 0.00102 0.00006 -0.00031 140 12YY -0.11130 0.10497 0.00144 0.00008 -0.00028 141 12ZZ -0.11106 0.10511 0.00138 0.00008 -0.00029 142 12XY 0.00068 -0.00033 -0.00022 -0.00001 -0.00001 143 12XZ 0.00000 0.00000 0.00000 -0.00006 0.00014 144 12YZ 0.00000 0.00000 -0.00001 0.00023 -0.00002 145 8 Br 1S 0.11818 0.11891 -0.00001 0.00000 0.00000 146 2S -0.66402 -0.66734 -0.00004 0.00000 -0.00002 147 3S 0.61499 0.61675 0.00021 0.00001 0.00009 148 4S 0.87782 0.88287 -0.00005 0.00000 -0.00003 149 5S 0.18679 0.19569 -0.00275 -0.00015 -0.00034 150 6S 0.25650 0.23138 0.00834 0.00047 0.00114 151 7PX -0.00112 -0.00110 -0.00001 0.00000 0.00000 152 7PY -0.00084 -0.00082 0.00001 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00001 154 8PX 0.00293 0.00287 0.00002 0.00000 0.00001 155 8PY 0.00218 0.00212 -0.00003 0.00000 0.00001 156 8PZ 0.00000 0.00000 0.00000 0.00002 -0.00004 157 9PX -0.00422 -0.00368 -0.00028 -0.00002 -0.00008 158 9PY -0.00254 -0.00212 0.00016 0.00001 -0.00005 159 9PZ 0.00000 0.00000 0.00001 -0.00013 0.00026 160 10PX 0.01357 0.01107 0.00239 0.00013 0.00010 161 10PY 0.00802 0.00649 0.00019 0.00001 0.00011 162 10PZ 0.00000 0.00000 -0.00004 0.00070 -0.00063 163 11XX -0.31252 -0.31303 -0.00018 -0.00001 -0.00006 164 11YY -0.31260 -0.31316 -0.00014 -0.00001 -0.00007 165 11ZZ -0.31297 -0.31347 -0.00014 -0.00001 -0.00006 166 11XY 0.00044 0.00048 -0.00002 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00002 0.00002 168 11YZ 0.00000 0.00000 0.00000 -0.00003 0.00000 169 12XX -0.10967 -0.10494 -0.00102 -0.00006 -0.00031 170 12YY -0.11071 -0.10560 -0.00144 -0.00008 -0.00028 171 12ZZ -0.11046 -0.10573 -0.00138 -0.00008 -0.00029 172 12XY 0.00068 0.00034 0.00022 0.00001 -0.00001 173 12XZ 0.00000 0.00000 0.00000 -0.00006 -0.00014 174 12YZ 0.00000 0.00000 -0.00001 0.00023 0.00002 26 27 28 29 30 O O O O O Eigenvalues -- -7.28236 -7.27887 -7.27883 -7.22932 -7.22932 1 1 Al 1S -0.00004 0.00000 0.00000 0.00003 -0.00002 2 2S -0.00016 -0.00001 0.00000 0.00011 -0.00010 3 2PX 0.00014 0.00000 0.00000 0.00003 0.00002 4 2PY -0.00005 -0.00002 0.00000 -0.00032 0.00017 5 2PZ -0.00003 0.00000 0.00000 0.00000 0.00000 6 3S -0.00438 0.00004 0.00000 0.00377 -0.00257 7 3PX 0.00053 0.00011 0.00000 0.00005 -0.00026 8 3PY -0.00024 0.00031 0.00001 0.00114 -0.00051 9 3PZ -0.00020 0.00000 -0.00001 0.00000 0.00000 10 4S 0.00094 0.00048 0.00002 0.00268 -0.00068 11 4PX 0.00093 0.00165 0.00007 -0.00060 -0.00008 12 4PY 0.00015 0.00390 0.00016 0.00067 -0.00023 13 4PZ 0.00047 0.00000 0.00005 0.00000 0.00000 14 5XX 0.00126 -0.00007 0.00000 -0.00042 0.00041 15 5YY 0.00071 -0.00004 0.00000 -0.00337 0.00219 16 5ZZ 0.00170 -0.00003 0.00000 -0.00065 0.00039 17 5XY -0.00031 -0.00008 0.00000 0.00035 -0.00035 18 5XZ -0.00021 0.00000 0.00004 0.00000 0.00000 19 5YZ 0.00009 -0.00001 0.00013 0.00000 0.00000 20 2 Al 1S -0.00004 0.00000 0.00000 -0.00002 -0.00003 21 2S -0.00016 0.00001 0.00000 -0.00006 -0.00014 22 2PX -0.00014 0.00000 0.00000 0.00003 0.00000 23 2PY 0.00005 -0.00002 0.00000 -0.00022 -0.00029 24 2PZ -0.00003 0.00000 0.00000 0.00000 0.00000 25 3S -0.00439 -0.00004 0.00000 -0.00229 -0.00394 26 3PX -0.00053 0.00011 0.00000 -0.00007 0.00026 27 3PY 0.00024 0.00031 0.00001 0.00081 0.00095 28 3PZ -0.00020 0.00000 0.00001 0.00000 0.00000 29 4S 0.00094 -0.00048 -0.00002 -0.00213 -0.00177 30 4PX -0.00093 0.00165 0.00007 -0.00058 -0.00018 31 4PY -0.00015 0.00390 0.00016 0.00050 0.00050 32 4PZ 0.00047 0.00000 -0.00005 0.00000 0.00000 33 5XX 0.00126 0.00007 0.00000 0.00020 0.00055 34 5YY 0.00071 0.00004 0.00000 0.00210 0.00343 35 5ZZ 0.00170 0.00003 0.00000 0.00042 0.00063 36 5XY -0.00031 0.00008 0.00000 -0.00017 -0.00047 37 5XZ 0.00021 0.00000 0.00004 0.00000 0.00000 38 5YZ -0.00009 -0.00001 0.00013 0.00000 0.00000 39 3 Cl 1S -0.00055 0.00000 0.00000 0.00000 0.00000 40 2S 0.00198 0.00000 0.00000 0.00000 -0.00001 41 2PX 0.00010 0.26784 -0.24720 0.00006 0.00001 42 2PY -0.00001 0.67722 -0.62483 -0.00028 -0.00006 43 2PZ -0.47505 0.00004 -0.00004 0.00004 -0.00020 44 3S -0.00028 0.00000 0.00000 0.00001 -0.00006 45 3PX 0.00000 0.00802 -0.00715 -0.00004 -0.00001 46 3PY 0.00000 0.02022 -0.01807 0.00031 0.00007 47 3PZ -0.01402 0.00000 0.00000 -0.00005 0.00021 48 4S 0.00104 0.00000 0.00000 -0.00017 0.00075 49 4PX 0.00000 -0.00319 0.00206 -0.00061 -0.00014 50 4PY 0.00000 -0.00772 0.00517 -0.00055 -0.00012 51 4PZ 0.00394 0.00000 0.00000 -0.00001 0.00002 52 5XX 0.00003 0.00000 0.00000 -0.00003 0.00011 53 5YY 0.00008 0.00000 0.00000 0.00000 0.00000 54 5ZZ -0.00040 0.00000 0.00000 -0.00002 0.00009 55 5XY 0.00001 0.00000 0.00000 0.00000 0.00002 56 5XZ 0.00000 0.00002 -0.00006 -0.00009 -0.00002 57 5YZ 0.00000 0.00008 -0.00015 0.00000 0.00000 58 4 Cl 1S -0.00100 0.00000 0.00000 0.00000 0.00000 59 2S 0.00359 0.00000 0.00000 0.00000 -0.00001 60 2PX -0.00015 0.24707 0.26795 0.00006 0.00001 61 2PY 0.00012 0.62475 0.67730 -0.00028 -0.00006 62 2PZ 0.86943 -0.00004 -0.00005 -0.00004 0.00020 63 3S -0.00040 0.00000 0.00000 0.00001 -0.00006 64 3PX 0.00000 0.00742 0.00777 -0.00004 -0.00001 65 3PY 0.00000 0.01870 0.01963 0.00031 0.00007 66 3PZ 0.02597 0.00000 0.00000 0.00005 -0.00021 67 4S 0.00114 0.00000 0.00000 -0.00017 0.00075 68 4PX 0.00000 -0.00301 -0.00231 -0.00061 -0.00014 69 4PY 0.00000 -0.00728 -0.00578 -0.00055 -0.00012 70 4PZ -0.00815 0.00000 0.00000 0.00001 -0.00002 71 5XX -0.00011 0.00000 0.00000 -0.00003 0.00011 72 5YY -0.00001 0.00000 0.00000 0.00000 0.00000 73 5ZZ -0.00058 0.00000 0.00000 -0.00002 0.00009 74 5XY 0.00004 0.00000 0.00000 0.00000 0.00002 75 5XZ 0.00000 -0.00002 -0.00006 0.00009 0.00002 76 5YZ 0.00000 -0.00007 -0.00015 0.00000 0.00000 77 5 Cl 1S 0.00001 -0.00001 0.00000 0.00100 -0.00063 78 2S 0.00004 -0.00007 0.00000 -0.00361 0.00228 79 2PX -0.00003 -0.00001 0.00000 -0.08859 0.05590 80 2PY 0.00011 0.00014 0.00001 0.83326 -0.52537 81 2PZ 0.00003 -0.00001 0.00013 -0.00002 0.00002 82 3S 0.00012 -0.00029 -0.00001 0.00009 -0.00005 83 3PX -0.00005 -0.00002 0.00000 -0.00272 0.00172 84 3PY 0.00023 0.00026 0.00001 0.02530 -0.01594 85 3PZ 0.00007 -0.00001 0.00028 0.00000 0.00000 86 4S -0.00049 0.00226 0.00009 -0.00051 0.00030 87 4PX -0.00010 -0.00028 -0.00001 0.00086 -0.00051 88 4PY -0.00031 -0.00018 -0.00001 -0.00708 0.00445 89 4PZ -0.00019 0.00002 -0.00059 0.00000 0.00000 90 5XX 0.00011 -0.00006 0.00000 -0.00001 0.00002 91 5YY 0.00014 -0.00011 0.00000 0.00113 -0.00071 92 5ZZ 0.00011 -0.00008 0.00000 -0.00003 0.00002 93 5XY -0.00004 -0.00001 0.00000 -0.00014 0.00009 94 5XZ 0.00001 0.00000 0.00004 0.00000 0.00000 95 5YZ 0.00000 0.00000 -0.00004 0.00000 0.00000 96 6 Cl 1S 0.00001 0.00001 0.00000 -0.00063 -0.00100 97 2S 0.00004 0.00007 0.00000 0.00227 0.00361 98 2PX 0.00003 -0.00001 0.00000 -0.05590 -0.08873 99 2PY -0.00011 0.00014 0.00001 0.52536 0.83325 100 2PZ 0.00003 0.00001 -0.00013 -0.00001 -0.00002 101 3S 0.00012 0.00029 0.00001 -0.00006 -0.00008 102 3PX 0.00005 -0.00002 0.00000 -0.00172 -0.00273 103 3PY -0.00023 0.00026 0.00001 0.01596 0.02529 104 3PZ 0.00007 0.00001 -0.00028 0.00000 0.00000 105 4S -0.00049 -0.00226 -0.00009 0.00033 0.00049 106 4PX 0.00010 -0.00028 -0.00001 0.00055 0.00083 107 4PY 0.00031 -0.00018 -0.00001 -0.00447 -0.00707 108 4PZ -0.00019 -0.00002 0.00059 0.00000 0.00000 109 5XX 0.00011 0.00006 0.00000 0.00001 0.00002 110 5YY 0.00014 0.00011 0.00000 -0.00072 -0.00112 111 5ZZ 0.00011 0.00008 0.00000 0.00002 0.00003 112 5XY -0.00004 0.00001 0.00000 0.00009 0.00014 113 5XZ -0.00001 0.00000 0.00004 0.00000 0.00000 114 5YZ 0.00000 0.00000 -0.00004 0.00000 0.00000 115 7 Br 1S 0.00001 0.00001 0.00000 0.00000 0.00000 116 2S 0.00006 0.00004 0.00000 0.00000 -0.00001 117 3S -0.00031 -0.00023 -0.00001 0.00001 0.00003 118 4S 0.00009 0.00004 0.00000 0.00000 -0.00001 119 5S 0.00117 0.00161 0.00006 0.00073 -0.00052 120 6S -0.00390 -0.00552 -0.00022 -0.00211 0.00157 121 7PX -0.00001 0.00001 0.00000 0.00000 0.00000 122 7PY -0.00001 0.00001 0.00000 0.00001 -0.00001 123 7PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 124 8PX 0.00004 -0.00002 0.00000 0.00001 -0.00001 125 8PY 0.00003 -0.00002 0.00000 -0.00004 0.00002 126 8PZ -0.00001 0.00000 0.00005 0.00000 0.00000 127 9PX -0.00026 0.00012 0.00000 -0.00006 0.00006 128 9PY -0.00017 0.00013 0.00001 0.00019 -0.00010 129 9PZ 0.00008 0.00001 -0.00029 0.00000 0.00000 130 10PX 0.00034 0.00039 0.00002 0.00062 -0.00040 131 10PY 0.00036 -0.00011 0.00000 0.00006 -0.00010 132 10PZ -0.00018 -0.00002 0.00053 0.00000 0.00000 133 11XX 0.00022 0.00016 0.00001 -0.00002 -0.00002 134 11YY 0.00023 0.00018 0.00001 -0.00001 -0.00003 135 11ZZ 0.00022 0.00017 0.00001 0.00000 -0.00003 136 11XY 0.00000 -0.00002 0.00000 0.00002 -0.00001 137 11XZ -0.00001 0.00000 0.00003 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00105 0.00094 0.00004 0.00026 -0.00026 140 12YY 0.00096 0.00090 0.00004 0.00022 -0.00021 141 12ZZ 0.00100 0.00089 0.00004 0.00019 -0.00022 142 12XY 0.00003 0.00011 0.00000 -0.00015 0.00011 143 12XZ 0.00004 0.00001 -0.00021 0.00000 0.00000 144 12YZ -0.00001 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00001 -0.00001 0.00000 0.00000 0.00000 146 2S 0.00006 -0.00004 0.00000 0.00001 0.00000 147 3S -0.00031 0.00023 0.00001 -0.00003 0.00002 148 4S 0.00009 -0.00004 0.00000 0.00000 0.00000 149 5S 0.00117 -0.00161 -0.00007 -0.00044 -0.00078 150 6S -0.00391 0.00553 0.00022 0.00123 0.00233 151 7PX 0.00001 0.00001 0.00000 0.00000 0.00000 152 7PY 0.00001 0.00001 0.00000 0.00001 0.00001 153 7PZ 0.00000 0.00000 0.00001 0.00000 0.00000 154 8PX -0.00004 -0.00002 0.00000 0.00000 0.00001 155 8PY -0.00003 -0.00002 0.00000 -0.00002 -0.00003 156 8PZ -0.00001 0.00000 -0.00005 0.00000 0.00000 157 9PX 0.00026 0.00012 0.00000 -0.00003 -0.00008 158 9PY 0.00017 0.00013 0.00001 0.00013 0.00017 159 9PZ 0.00008 -0.00001 0.00029 0.00000 0.00000 160 10PX -0.00034 0.00039 0.00002 0.00039 0.00063 161 10PY -0.00036 -0.00011 0.00000 0.00001 0.00012 162 10PZ -0.00018 0.00002 -0.00053 0.00000 0.00000 163 11XX 0.00022 -0.00016 -0.00001 0.00002 -0.00001 164 11YY 0.00023 -0.00018 -0.00001 0.00002 -0.00002 165 11ZZ 0.00022 -0.00017 -0.00001 0.00001 -0.00003 166 11XY 0.00000 0.00002 0.00000 -0.00001 -0.00002 167 11XZ 0.00001 0.00000 0.00003 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00105 -0.00094 -0.00004 -0.00012 -0.00034 170 12YY 0.00096 -0.00090 -0.00004 -0.00010 -0.00029 171 12ZZ 0.00100 -0.00089 -0.00004 -0.00008 -0.00028 172 12XY 0.00003 -0.00011 0.00000 0.00009 0.00016 173 12XZ -0.00004 0.00001 -0.00021 0.00000 0.00000 174 12YZ 0.00001 0.00000 0.00000 0.00000 0.00000 31 32 33 34 35 O O O O O Eigenvalues -- -7.22470 -7.22469 -7.22450 -7.22449 -6.54925 1 1 Al 1S 0.00000 0.00000 0.00002 -0.00001 -0.00003 2 2S 0.00000 0.00000 0.00028 -0.00004 -0.00002 3 2PX 0.00000 0.00000 0.00001 -0.00005 -0.00020 4 2PY 0.00000 0.00000 -0.00001 0.00003 -0.00017 5 2PZ 0.00003 0.00005 0.00000 0.00000 0.00000 6 3S 0.00000 0.00000 0.00208 -0.00060 -0.00335 7 3PX 0.00000 0.00000 0.00009 0.00022 -0.00023 8 3PY 0.00000 0.00000 0.00032 -0.00034 0.00010 9 3PZ 0.00005 -0.00026 0.00000 0.00000 0.00000 10 4S 0.00000 0.00000 -0.00879 0.00030 -0.00587 11 4PX 0.00000 0.00000 0.00839 -0.00355 -0.00046 12 4PY 0.00000 0.00000 -0.00089 -0.00046 -0.00255 13 4PZ 0.00307 0.00195 0.00000 0.00000 0.00000 14 5XX 0.00000 0.00000 -0.00004 -0.00005 0.00180 15 5YY 0.00000 0.00000 -0.00014 -0.00003 0.00134 16 5ZZ 0.00000 0.00000 -0.00008 0.00035 0.00071 17 5XY 0.00000 0.00000 0.00031 -0.00013 0.00110 18 5XZ -0.00012 0.00001 0.00000 0.00000 0.00000 19 5YZ 0.00019 -0.00001 0.00000 0.00000 0.00000 20 2 Al 1S 0.00000 0.00000 -0.00002 -0.00001 -0.00001 21 2S 0.00000 0.00000 -0.00028 -0.00007 -0.00007 22 2PX 0.00000 0.00000 0.00001 0.00005 0.00002 23 2PY 0.00000 0.00000 -0.00001 -0.00003 0.00005 24 2PZ -0.00001 0.00005 0.00000 0.00000 0.00000 25 3S 0.00000 0.00000 -0.00202 -0.00079 -0.00109 26 3PX 0.00000 0.00000 0.00011 -0.00021 0.00030 27 3PY 0.00000 0.00000 0.00029 0.00037 -0.00004 28 3PZ -0.00012 -0.00023 0.00000 0.00000 0.00000 29 4S 0.00000 0.00000 0.00873 0.00109 0.00015 30 4PX 0.00000 0.00000 0.00804 0.00429 0.00124 31 4PY 0.00000 0.00000 -0.00093 0.00037 0.00117 32 4PZ -0.00245 0.00269 0.00000 0.00000 0.00000 33 5XX 0.00000 0.00000 0.00004 -0.00005 0.00055 34 5YY 0.00000 0.00000 0.00014 -0.00002 0.00033 35 5ZZ 0.00000 0.00000 0.00005 0.00036 0.00013 36 5XY 0.00000 0.00000 -0.00030 -0.00016 0.00025 37 5XZ -0.00012 0.00002 0.00000 0.00000 0.00000 38 5YZ 0.00019 -0.00005 0.00000 0.00000 0.00000 39 3 Cl 1S 0.00000 -0.00001 0.00000 0.00001 0.00000 40 2S -0.00001 -0.00004 0.00000 0.00010 -0.00006 41 2PX 0.00015 -0.00002 0.00011 0.00000 -0.00001 42 2PY 0.00020 -0.00003 -0.00005 0.00000 -0.00001 43 2PZ -0.00003 -0.00019 0.00000 0.00003 -0.00005 44 3S -0.00003 -0.00020 -0.00002 0.00035 -0.00019 45 3PX -0.00021 0.00003 -0.00015 -0.00001 0.00001 46 3PY -0.00023 0.00003 0.00008 0.00000 0.00006 47 3PZ 0.00003 0.00025 0.00000 -0.00001 0.00018 48 4S 0.00022 0.00162 0.00013 -0.00292 0.00162 49 4PX 0.00110 -0.00015 0.00120 0.00005 0.00056 50 4PY 0.00027 -0.00004 -0.00100 -0.00005 -0.00022 51 4PZ -0.00008 -0.00060 0.00003 -0.00070 0.00015 52 5XX 0.00000 0.00001 -0.00001 0.00018 0.00000 53 5YY -0.00001 -0.00006 0.00000 0.00011 -0.00009 54 5ZZ -0.00001 -0.00009 0.00000 0.00007 -0.00004 55 5XY 0.00001 0.00004 0.00000 -0.00003 0.00000 56 5XZ 0.00003 0.00000 0.00004 0.00000 0.00005 57 5YZ 0.00003 0.00000 -0.00004 0.00000 0.00000 58 4 Cl 1S 0.00000 0.00001 0.00000 0.00001 0.00000 59 2S 0.00001 0.00004 0.00000 0.00010 -0.00006 60 2PX -0.00015 0.00002 0.00011 0.00000 -0.00001 61 2PY -0.00020 0.00003 -0.00005 0.00000 -0.00001 62 2PZ -0.00003 -0.00019 0.00000 -0.00003 0.00005 63 3S 0.00003 0.00020 -0.00002 0.00035 -0.00019 64 3PX 0.00021 -0.00003 -0.00015 -0.00001 0.00001 65 3PY 0.00023 -0.00003 0.00008 0.00000 0.00006 66 3PZ 0.00003 0.00025 0.00000 0.00001 -0.00018 67 4S -0.00022 -0.00162 0.00013 -0.00292 0.00162 68 4PX -0.00110 0.00015 0.00120 0.00005 0.00056 69 4PY -0.00027 0.00004 -0.00100 -0.00005 -0.00022 70 4PZ -0.00008 -0.00060 -0.00003 0.00070 -0.00015 71 5XX 0.00000 -0.00001 -0.00001 0.00018 0.00000 72 5YY 0.00001 0.00006 0.00000 0.00011 -0.00009 73 5ZZ 0.00001 0.00009 0.00000 0.00007 -0.00004 74 5XY -0.00001 -0.00004 0.00000 -0.00003 0.00000 75 5XZ 0.00003 0.00000 -0.00004 0.00000 -0.00005 76 5YZ 0.00003 0.00000 0.00004 0.00000 0.00000 77 5 Cl 1S 0.00000 0.00000 -0.00002 0.00002 0.00000 78 2S 0.00000 0.00000 -0.00001 -0.00002 -0.00004 79 2PX -0.00011 -0.00009 0.72744 -0.66462 -0.00003 80 2PY 0.00001 0.00001 0.07735 -0.07072 -0.00002 81 2PZ 0.78744 0.60161 0.00011 -0.00009 0.00000 82 3S 0.00000 0.00000 -0.00025 0.00011 -0.00007 83 3PX 0.00000 0.00000 0.02155 -0.01953 0.00007 84 3PY 0.00000 0.00000 0.00222 -0.00202 0.00004 85 3PZ 0.02296 0.01751 0.00000 0.00000 0.00000 86 4S 0.00000 0.00000 0.00162 -0.00059 0.00073 87 4PX 0.00000 0.00000 -0.00801 0.00664 0.00006 88 4PY 0.00000 0.00000 -0.00020 0.00044 0.00055 89 4PZ -0.00727 -0.00545 0.00000 0.00000 0.00000 90 5XX 0.00000 0.00000 -0.00017 0.00009 -0.00009 91 5YY 0.00000 0.00000 -0.00007 0.00003 0.00001 92 5ZZ 0.00000 0.00000 -0.00011 0.00007 -0.00004 93 5XY 0.00000 0.00000 0.00007 -0.00010 0.00009 94 5XZ -0.00003 -0.00001 0.00000 0.00000 0.00000 95 5YZ 0.00016 0.00012 0.00000 0.00000 0.00000 96 6 Cl 1S 0.00000 0.00000 0.00002 0.00002 0.00000 97 2S 0.00000 0.00000 0.00001 -0.00002 0.00001 98 2PX 0.00008 -0.00011 0.66458 0.72746 0.00001 99 2PY -0.00001 0.00001 0.07074 0.07749 0.00000 100 2PZ -0.60160 0.78745 0.00010 0.00010 0.00000 101 3S 0.00000 0.00000 0.00024 0.00013 0.00006 102 3PX 0.00000 0.00000 0.01970 0.02139 -0.00004 103 3PY 0.00000 0.00000 0.00203 0.00222 0.00000 104 3PZ -0.01755 0.02293 0.00000 0.00000 0.00000 105 4S 0.00000 0.00000 -0.00156 -0.00073 -0.00046 106 4PX 0.00000 0.00000 -0.00738 -0.00733 -0.00010 107 4PY 0.00000 0.00000 -0.00016 -0.00045 -0.00005 108 4PZ 0.00558 -0.00717 0.00000 0.00000 0.00000 109 5XX 0.00000 0.00000 0.00016 0.00011 0.00002 110 5YY 0.00000 0.00000 0.00007 0.00003 0.00005 111 5ZZ 0.00000 0.00000 0.00011 0.00008 0.00002 112 5XY 0.00000 0.00000 -0.00006 -0.00011 0.00003 113 5XZ -0.00002 0.00002 0.00000 0.00000 0.00000 114 5YZ 0.00013 -0.00016 0.00000 0.00000 0.00000 115 7 Br 1S 0.00000 0.00000 0.00002 -0.00001 0.00060 116 2S 0.00000 0.00000 0.00006 -0.00002 -0.00414 117 3S 0.00000 0.00000 -0.00034 0.00012 0.00548 118 4S 0.00000 0.00000 0.00005 -0.00002 0.00431 119 5S 0.00000 0.00000 0.00170 -0.00109 -0.00385 120 6S 0.00000 0.00000 -0.00570 0.00362 0.01794 121 7PX 0.00000 0.00000 0.00001 -0.00001 -0.32771 122 7PY 0.00000 0.00000 0.00000 0.00000 -0.25828 123 7PZ 0.00001 0.00001 0.00000 0.00000 -0.00001 124 8PX 0.00000 0.00000 -0.00003 0.00004 0.80418 125 8PY 0.00000 0.00000 0.00002 -0.00001 0.63382 126 8PZ -0.00005 -0.00004 0.00000 0.00000 0.00002 127 9PX 0.00000 0.00000 0.00020 -0.00024 0.02171 128 9PY 0.00000 0.00000 -0.00017 0.00011 0.01693 129 9PZ 0.00033 0.00029 0.00000 0.00000 0.00000 130 10PX 0.00000 0.00000 -0.00040 0.00028 -0.00716 131 10PY 0.00000 0.00000 0.00098 -0.00066 -0.00511 132 10PZ -0.00097 -0.00075 0.00000 0.00000 0.00000 133 11XX 0.00000 0.00000 0.00024 -0.00008 -0.00364 134 11YY 0.00000 0.00000 0.00026 -0.00009 -0.00300 135 11ZZ 0.00000 0.00000 0.00025 -0.00010 -0.00199 136 11XY 0.00000 0.00000 0.00000 -0.00001 -0.00149 137 11XZ -0.00002 -0.00002 0.00000 0.00000 0.00000 138 11YZ -0.00002 -0.00001 0.00000 0.00000 0.00000 139 12XX 0.00000 0.00000 0.00122 -0.00066 -0.00482 140 12YY 0.00000 0.00000 0.00102 -0.00053 -0.00488 141 12ZZ 0.00000 0.00000 0.00120 -0.00048 -0.00468 142 12XY 0.00000 0.00000 -0.00005 0.00007 -0.00018 143 12XZ 0.00015 0.00013 0.00000 0.00000 0.00000 144 12YZ 0.00013 0.00006 0.00000 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 -0.00002 -0.00001 0.00016 146 2S 0.00000 0.00000 -0.00006 -0.00003 -0.00111 147 3S 0.00000 0.00000 0.00032 0.00015 0.00152 148 4S 0.00000 0.00000 -0.00005 -0.00002 0.00112 149 5S 0.00000 0.00000 -0.00159 -0.00124 -0.00139 150 6S 0.00000 0.00000 0.00535 0.00412 0.00597 151 7PX 0.00000 0.00000 0.00001 0.00001 0.08649 152 7PY 0.00000 0.00000 0.00000 0.00000 0.06820 153 7PZ -0.00001 0.00001 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 -0.00003 -0.00004 -0.21223 155 8PY 0.00000 0.00000 0.00002 0.00001 -0.16736 156 8PZ 0.00004 -0.00005 0.00000 0.00000 -0.00001 157 9PX 0.00000 0.00000 0.00018 0.00026 -0.00574 158 9PY 0.00000 0.00000 -0.00016 -0.00012 -0.00449 159 9PZ -0.00024 0.00036 0.00000 0.00000 0.00000 160 10PX 0.00000 0.00000 -0.00037 -0.00032 0.00195 161 10PY 0.00000 0.00000 0.00092 0.00075 0.00146 162 10PZ 0.00074 -0.00097 0.00000 0.00000 0.00000 163 11XX 0.00000 0.00000 -0.00024 -0.00010 -0.00101 164 11YY 0.00000 0.00000 -0.00026 -0.00011 -0.00084 165 11ZZ 0.00000 0.00000 -0.00024 -0.00013 -0.00058 166 11XY 0.00000 0.00000 0.00000 -0.00001 -0.00040 167 11XZ -0.00001 0.00002 0.00000 0.00000 0.00000 168 11YZ -0.00001 0.00001 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 -0.00115 -0.00076 -0.00152 170 12YY 0.00000 0.00000 -0.00097 -0.00062 -0.00155 171 12ZZ 0.00000 0.00000 -0.00116 -0.00059 -0.00151 172 12XY 0.00000 0.00000 0.00004 0.00007 -0.00003 173 12XZ 0.00011 -0.00017 0.00000 0.00000 0.00000 174 12YZ 0.00011 -0.00010 0.00000 0.00000 0.00000 36 37 38 39 40 O O O O O Eigenvalues -- -6.54925 -6.54263 -6.54263 -6.54238 -6.54238 1 1 Al 1S -0.00001 0.00000 0.00000 -0.00002 0.00000 2 2S 0.00006 0.00000 0.00000 -0.00028 0.00000 3 2PX -0.00009 0.00000 0.00000 0.00000 0.00003 4 2PY -0.00004 0.00000 0.00000 -0.00001 0.00000 5 2PZ 0.00000 0.00001 0.00002 0.00000 0.00000 6 3S -0.00065 0.00000 0.00000 -0.00198 0.00031 7 3PX 0.00021 0.00000 0.00000 0.00013 -0.00019 8 3PY 0.00001 0.00000 0.00000 0.00023 -0.00012 9 3PZ 0.00000 0.00007 -0.00017 0.00000 0.00000 10 4S -0.00350 0.00000 0.00000 0.00904 0.00030 11 4PX 0.00117 0.00000 0.00000 -0.00597 0.00103 12 4PY -0.00010 0.00000 0.00000 0.00428 -0.00185 13 4PZ 0.00000 0.00288 0.00057 0.00000 0.00000 14 5XX 0.00039 0.00000 0.00000 0.00017 0.00001 15 5YY 0.00038 0.00000 0.00000 0.00000 -0.00001 16 5ZZ 0.00025 0.00000 0.00000 0.00010 -0.00031 17 5XY 0.00034 0.00000 0.00000 0.00009 -0.00003 18 5XZ 0.00000 -0.00005 0.00010 0.00000 0.00000 19 5YZ 0.00000 0.00013 0.00005 0.00000 0.00000 20 2 Al 1S 0.00003 0.00000 0.00000 0.00001 0.00001 21 2S -0.00001 0.00000 0.00000 0.00027 0.00008 22 2PX -0.00021 0.00000 0.00000 0.00001 -0.00003 23 2PY -0.00017 0.00000 0.00000 -0.00001 -0.00001 24 2PZ 0.00000 0.00001 0.00002 0.00000 0.00000 25 3S 0.00323 0.00000 0.00000 0.00181 0.00086 26 3PX -0.00010 0.00000 0.00000 0.00007 0.00022 27 3PY 0.00010 0.00000 0.00000 0.00019 0.00018 28 3PZ 0.00000 -0.00019 -0.00004 0.00000 0.00000 29 4S 0.00684 0.00000 0.00000 -0.00875 -0.00229 30 4PX 0.00018 0.00000 0.00000 -0.00543 -0.00269 31 4PY -0.00226 0.00000 0.00000 0.00357 0.00299 32 4PZ 0.00000 -0.00109 0.00273 0.00000 0.00000 33 5XX -0.00175 0.00000 0.00000 -0.00016 -0.00004 34 5YY -0.00136 0.00000 0.00000 0.00000 -0.00001 35 5ZZ -0.00074 0.00000 0.00000 0.00000 -0.00033 36 5XY -0.00112 0.00000 0.00000 -0.00007 -0.00005 37 5XZ 0.00000 -0.00011 -0.00001 0.00000 0.00000 38 5YZ 0.00000 0.00003 -0.00013 0.00000 0.00000 39 3 Cl 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 40 2S 0.00003 -0.00002 -0.00004 0.00002 -0.00010 41 2PX -0.00001 0.00000 0.00000 -0.00004 -0.00001 42 2PY -0.00003 -0.00005 0.00003 0.00001 0.00000 43 2PZ 0.00003 -0.00002 -0.00004 0.00000 0.00000 44 3S 0.00011 -0.00009 -0.00016 0.00005 -0.00034 45 3PX 0.00001 -0.00003 0.00002 0.00023 0.00003 46 3PY 0.00010 0.00021 -0.00011 -0.00005 -0.00001 47 3PZ -0.00010 0.00010 0.00018 0.00000 -0.00002 48 4S -0.00094 0.00070 0.00129 -0.00039 0.00271 49 4PX 0.00096 0.00058 -0.00031 -0.00172 -0.00025 50 4PY -0.00038 -0.00061 0.00033 0.00020 0.00003 51 4PZ -0.00009 -0.00021 -0.00039 -0.00010 0.00070 52 5XX 0.00000 -0.00002 -0.00004 0.00002 -0.00016 53 5YY 0.00005 -0.00002 -0.00003 0.00002 -0.00016 54 5ZZ 0.00002 -0.00005 -0.00009 0.00002 -0.00011 55 5XY 0.00000 -0.00001 -0.00002 -0.00001 0.00004 56 5XZ 0.00008 0.00001 -0.00001 -0.00007 -0.00001 57 5YZ 0.00000 -0.00001 0.00001 -0.00001 0.00000 58 4 Cl 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 59 2S 0.00003 0.00002 0.00004 0.00001 -0.00010 60 2PX -0.00001 0.00000 0.00000 -0.00004 -0.00001 61 2PY -0.00003 0.00005 -0.00003 0.00001 0.00000 62 2PZ -0.00003 -0.00002 -0.00004 0.00000 0.00000 63 3S 0.00011 0.00009 0.00016 0.00005 -0.00034 64 3PX 0.00001 0.00003 -0.00002 0.00023 0.00003 65 3PY 0.00010 -0.00021 0.00011 -0.00005 -0.00001 66 3PZ 0.00010 0.00010 0.00018 0.00000 0.00002 67 4S -0.00094 -0.00070 -0.00129 -0.00039 0.00271 68 4PX 0.00096 -0.00058 0.00031 -0.00172 -0.00025 69 4PY -0.00038 0.00061 -0.00033 0.00020 0.00003 70 4PZ 0.00009 -0.00021 -0.00039 0.00010 -0.00070 71 5XX 0.00000 0.00002 0.00004 0.00002 -0.00016 72 5YY 0.00005 0.00002 0.00003 0.00002 -0.00016 73 5ZZ 0.00002 0.00005 0.00009 0.00002 -0.00011 74 5XY 0.00000 0.00001 0.00002 -0.00001 0.00004 75 5XZ -0.00008 0.00001 -0.00001 0.00007 0.00001 76 5YZ 0.00000 -0.00001 0.00001 0.00001 0.00000 77 5 Cl 1S 0.00000 0.00000 0.00000 -0.00001 0.00000 78 2S -0.00004 0.00000 0.00000 -0.00005 0.00004 79 2PX 0.00000 0.00000 0.00000 0.00005 -0.00004 80 2PY -0.00001 0.00000 0.00000 -0.00003 0.00002 81 2PZ 0.00000 -0.00007 -0.00003 0.00000 0.00000 82 3S -0.00011 0.00000 0.00000 -0.00020 0.00015 83 3PX 0.00000 0.00000 0.00000 -0.00022 0.00016 84 3PY 0.00002 0.00000 0.00000 0.00011 -0.00008 85 3PZ 0.00000 0.00028 0.00010 0.00000 0.00000 86 4S 0.00095 0.00000 0.00000 0.00114 -0.00124 87 4PX -0.00008 0.00000 0.00000 0.00099 -0.00049 88 4PY 0.00025 0.00000 0.00000 -0.00008 -0.00008 89 4PZ 0.00000 -0.00093 -0.00028 0.00000 0.00000 90 5XX -0.00008 0.00000 0.00000 -0.00009 0.00008 91 5YY -0.00005 0.00000 0.00000 -0.00006 0.00005 92 5ZZ -0.00004 0.00000 0.00000 -0.00011 0.00005 93 5XY 0.00001 0.00000 0.00000 0.00006 -0.00003 94 5XZ 0.00000 0.00000 0.00001 0.00000 0.00000 95 5YZ 0.00000 -0.00005 -0.00001 0.00000 0.00000 96 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00001 97 2S 0.00005 0.00000 0.00000 0.00003 0.00005 98 2PX -0.00002 0.00000 0.00000 0.00004 0.00005 99 2PY -0.00002 0.00000 0.00000 -0.00002 -0.00003 100 2PZ 0.00000 0.00001 -0.00007 0.00000 0.00000 101 3S 0.00012 0.00000 0.00000 0.00014 0.00020 102 3PX 0.00006 0.00000 0.00000 -0.00017 -0.00022 103 3PY 0.00004 0.00000 0.00000 0.00008 0.00011 104 3PZ 0.00000 -0.00007 0.00029 0.00000 0.00000 105 4S -0.00110 0.00000 0.00000 -0.00074 -0.00151 106 4PX 0.00001 0.00000 0.00000 0.00081 0.00075 107 4PY 0.00060 0.00000 0.00000 -0.00010 0.00005 108 4PZ 0.00000 0.00027 -0.00093 0.00000 0.00000 109 5XX 0.00012 0.00000 0.00000 0.00006 0.00010 110 5YY 0.00002 0.00000 0.00000 0.00004 0.00006 111 5ZZ 0.00005 0.00000 0.00000 0.00009 0.00008 112 5XY -0.00008 0.00000 0.00000 -0.00005 -0.00004 113 5XZ 0.00000 -0.00001 0.00000 0.00000 0.00000 114 5YZ 0.00000 -0.00002 0.00005 0.00000 0.00000 115 7 Br 1S 0.00016 0.00000 0.00000 0.00000 0.00000 116 2S -0.00107 0.00000 0.00000 0.00004 -0.00003 117 3S 0.00136 0.00000 0.00000 -0.00016 0.00010 118 4S 0.00116 0.00000 0.00000 0.00004 -0.00002 119 5S -0.00059 0.00000 0.00000 0.00121 -0.00049 120 6S 0.00332 0.00000 0.00000 -0.00368 0.00152 121 7PX -0.08652 0.00005 0.00002 0.21413 -0.15979 122 7PY -0.06816 -0.00005 -0.00002 -0.27174 0.20274 123 7PZ 0.00000 -0.41394 -0.12247 0.00006 -0.00005 124 8PX 0.21231 -0.00013 -0.00004 -0.52553 0.39217 125 8PY 0.16727 0.00013 0.00004 0.66693 -0.49759 126 8PZ 0.00000 1.01595 0.30059 -0.00015 0.00011 127 9PX 0.00571 0.00000 0.00000 -0.01371 0.01010 128 9PY 0.00444 0.00000 0.00000 0.01712 -0.01267 129 9PZ 0.00000 0.02584 0.00762 0.00000 0.00000 130 10PX -0.00182 0.00000 0.00000 0.00502 -0.00312 131 10PY -0.00122 0.00000 0.00000 -0.00496 0.00350 132 10PZ 0.00000 -0.00708 -0.00203 0.00000 0.00000 133 11XX -0.00090 0.00000 0.00000 0.00119 -0.00087 134 11YY -0.00073 0.00000 0.00000 -0.00098 0.00073 135 11ZZ -0.00047 0.00000 0.00000 0.00011 -0.00007 136 11XY -0.00039 0.00000 0.00000 -0.00029 0.00022 137 11XZ 0.00000 -0.00118 -0.00035 0.00000 0.00000 138 11YZ 0.00000 -0.00092 -0.00027 0.00000 0.00000 139 12XX -0.00099 0.00000 0.00000 0.00034 -0.00014 140 12YY -0.00099 0.00000 0.00000 0.00103 -0.00051 141 12ZZ -0.00092 0.00000 0.00000 0.00070 -0.00038 142 12XY -0.00007 0.00000 0.00000 -0.00003 -0.00002 143 12XZ 0.00000 0.00017 0.00006 0.00000 0.00000 144 12YZ 0.00000 0.00015 0.00003 0.00000 0.00000 145 8 Br 1S -0.00060 0.00000 0.00000 0.00000 0.00000 146 2S 0.00413 0.00000 0.00000 -0.00003 -0.00004 147 3S -0.00544 0.00000 0.00000 0.00012 0.00014 148 4S -0.00432 0.00000 0.00000 -0.00003 -0.00003 149 5S 0.00364 0.00000 0.00000 -0.00102 -0.00081 150 6S -0.01724 0.00000 0.00000 0.00310 0.00250 151 7PX -0.32768 -0.00001 0.00005 0.15978 0.21419 152 7PY -0.25831 0.00001 -0.00004 -0.20273 -0.27171 153 7PZ -0.00001 0.12247 -0.41394 0.00004 0.00005 154 8PX 0.80412 0.00003 -0.00011 -0.39214 -0.52568 155 8PY 0.63390 -0.00003 0.00011 0.49756 0.66685 156 8PZ 0.00002 -0.30058 1.01595 -0.00010 -0.00013 157 9PX 0.02170 0.00000 0.00000 -0.01027 -0.01359 158 9PY 0.01691 0.00000 0.00000 0.01280 0.01702 159 9PZ 0.00000 -0.00766 0.02582 0.00000 0.00000 160 10PX -0.00713 0.00000 0.00000 0.00392 0.00442 161 10PY -0.00505 0.00000 0.00000 -0.00376 -0.00477 162 10PZ 0.00000 0.00215 -0.00705 0.00000 0.00000 163 11XX 0.00361 0.00000 0.00000 -0.00089 -0.00117 164 11YY 0.00297 0.00000 0.00000 0.00073 0.00098 165 11ZZ 0.00196 0.00000 0.00000 -0.00009 -0.00009 166 11XY 0.00149 0.00000 0.00000 0.00021 0.00029 167 11XZ 0.00000 -0.00035 0.00118 0.00000 0.00000 168 11YZ 0.00000 -0.00028 0.00092 0.00000 0.00000 169 12XX 0.00468 0.00000 0.00000 -0.00029 -0.00024 170 12YY 0.00474 0.00000 0.00000 -0.00085 -0.00078 171 12ZZ 0.00453 0.00000 0.00000 -0.00056 -0.00056 172 12XY 0.00019 0.00000 0.00000 0.00003 -0.00001 173 12XZ 0.00000 0.00005 -0.00018 0.00000 0.00000 174 12YZ 0.00000 0.00006 -0.00015 0.00000 0.00000 41 42 43 44 45 O O O O O Eigenvalues -- -4.24704 -4.24704 -2.80158 -2.80158 -2.80080 1 1 Al 1S -0.22551 -0.13257 0.00000 0.00000 -0.00096 2 2S 0.88235 0.51877 0.00000 0.00000 0.00368 3 2PX -0.00351 -0.00206 -0.00023 -0.00010 0.66989 4 2PY 0.00163 0.00095 0.00009 0.00004 -0.24850 5 2PZ 0.00000 0.00000 0.89678 0.42542 0.00020 6 3S 0.06046 0.03534 0.00000 0.00000 -0.00347 7 3PX -0.00066 -0.00117 -0.00001 0.00000 0.02381 8 3PY 0.00025 0.00044 0.00000 0.00000 -0.00882 9 3PZ 0.00000 0.00000 0.02835 0.01371 0.00001 10 4S -0.01008 -0.00288 0.00000 0.00000 -0.00010 11 4PX 0.00216 -0.00105 0.00000 0.00000 -0.00442 12 4PY -0.00066 0.00036 0.00000 0.00000 0.00191 13 4PZ 0.00000 0.00000 -0.00551 -0.00343 0.00000 14 5XX -0.01446 -0.00837 0.00000 0.00000 0.00034 15 5YY -0.01468 -0.00847 0.00000 0.00000 0.00238 16 5ZZ -0.01531 -0.00861 0.00000 0.00000 -0.00048 17 5XY 0.00001 0.00002 0.00000 0.00000 0.00145 18 5XZ 0.00000 0.00000 -0.00219 -0.00135 0.00000 19 5YZ 0.00000 0.00000 0.00104 0.00060 0.00000 20 2 Al 1S 0.13256 -0.22551 0.00000 0.00000 -0.00092 21 2S -0.51867 0.88240 0.00000 0.00000 0.00353 22 2PX -0.00207 0.00350 0.00012 -0.00024 -0.64531 23 2PY 0.00096 -0.00163 -0.00005 0.00010 0.23934 24 2PZ 0.00000 0.00000 -0.42542 0.89678 -0.00021 25 3S -0.03564 0.06028 0.00000 0.00000 -0.00342 26 3PX -0.00001 0.00135 0.00000 -0.00001 -0.02299 27 3PY 0.00001 -0.00050 0.00000 0.00000 0.00851 28 3PZ 0.00000 0.00000 -0.01328 0.02855 -0.00001 29 4S 0.00741 -0.00742 0.00000 0.00000 -0.00009 30 4PX 0.00240 -0.00013 0.00000 0.00000 0.00426 31 4PY -0.00075 0.00001 0.00000 0.00000 -0.00185 32 4PZ 0.00000 0.00000 0.00209 -0.00614 0.00000 33 5XX 0.00856 -0.01435 0.00000 0.00000 0.00035 34 5YY 0.00871 -0.01454 0.00000 0.00000 0.00229 35 5ZZ 0.00919 -0.01497 0.00000 0.00000 -0.00049 36 5XY 0.00000 0.00002 0.00000 0.00000 0.00138 37 5XZ 0.00000 0.00000 -0.00084 0.00243 0.00000 38 5YZ 0.00000 0.00000 0.00042 -0.00112 0.00000 39 3 Cl 1S 0.00001 0.00004 -0.00004 -0.00012 -0.00014 40 2S 0.00003 0.00010 0.00014 0.00039 0.00034 41 2PX -0.00007 0.00002 0.00035 -0.00013 0.00000 42 2PY 0.00002 -0.00001 -0.00014 0.00005 0.00000 43 2PZ -0.00004 -0.00016 0.00013 0.00036 0.00043 44 3S 0.00019 0.00072 -0.00046 -0.00130 -0.00168 45 3PX -0.00017 0.00004 -0.00040 0.00014 0.00000 46 3PY 0.00009 -0.00002 0.00015 -0.00005 0.00000 47 3PZ 0.00008 0.00031 -0.00020 -0.00055 -0.00059 48 4S -0.00135 -0.00520 0.00120 0.00337 0.00538 49 4PX -0.00127 0.00033 0.00340 -0.00121 0.00003 50 4PY 0.00040 -0.00010 -0.00132 0.00047 -0.00001 51 4PZ -0.00091 -0.00351 0.00123 0.00344 0.00487 52 5XX 0.00009 0.00034 0.00011 0.00030 -0.00032 53 5YY 0.00012 0.00045 -0.00003 -0.00008 -0.00030 54 5ZZ 0.00007 0.00027 -0.00005 -0.00014 0.00026 55 5XY 0.00002 0.00006 -0.00007 -0.00020 0.00000 56 5XZ -0.00003 0.00001 0.00017 -0.00006 0.00000 57 5YZ 0.00001 0.00000 -0.00006 0.00002 0.00000 58 4 Cl 1S 0.00001 0.00004 0.00004 0.00012 -0.00014 59 2S 0.00003 0.00010 -0.00014 -0.00039 0.00034 60 2PX -0.00007 0.00002 -0.00035 0.00013 0.00000 61 2PY 0.00002 -0.00001 0.00014 -0.00005 0.00000 62 2PZ 0.00004 0.00016 0.00013 0.00036 -0.00043 63 3S 0.00019 0.00072 0.00046 0.00130 -0.00168 64 3PX -0.00017 0.00004 0.00040 -0.00014 0.00000 65 3PY 0.00009 -0.00002 -0.00015 0.00005 0.00000 66 3PZ -0.00008 -0.00031 -0.00020 -0.00055 0.00059 67 4S -0.00135 -0.00520 -0.00120 -0.00337 0.00538 68 4PX -0.00127 0.00033 -0.00340 0.00121 0.00003 69 4PY 0.00040 -0.00010 0.00132 -0.00047 -0.00001 70 4PZ 0.00091 0.00351 0.00123 0.00344 -0.00487 71 5XX 0.00009 0.00034 -0.00011 -0.00030 -0.00032 72 5YY 0.00012 0.00045 0.00003 0.00008 -0.00030 73 5ZZ 0.00007 0.00027 0.00005 0.00014 0.00026 74 5XY 0.00002 0.00006 0.00007 0.00020 0.00000 75 5XZ 0.00003 -0.00001 0.00017 -0.00006 0.00000 76 5YZ -0.00001 0.00000 -0.00006 0.00002 0.00000 77 5 Cl 1S 0.00004 0.00002 0.00000 0.00000 0.00009 78 2S -0.00010 -0.00008 0.00000 0.00000 -0.00033 79 2PX 0.00001 0.00000 0.00000 0.00000 0.00000 80 2PY -0.00034 -0.00018 0.00000 0.00000 -0.00043 81 2PZ 0.00000 0.00000 -0.00011 -0.00003 0.00000 82 3S -0.00009 -0.00015 0.00000 0.00000 0.00054 83 3PX 0.00004 0.00003 0.00000 0.00000 -0.00017 84 3PY 0.00063 0.00028 0.00000 0.00000 0.00063 85 3PZ 0.00000 0.00000 0.00011 -0.00005 0.00000 86 4S -0.00256 -0.00120 0.00000 0.00000 -0.00195 87 4PX -0.00008 0.00020 0.00000 0.00000 0.00003 88 4PY -0.00262 -0.00134 0.00000 0.00000 -0.00219 89 4PZ 0.00000 0.00000 -0.00079 -0.00004 0.00000 90 5XX 0.00016 0.00004 0.00000 0.00000 0.00004 91 5YY 0.00074 0.00038 0.00000 0.00000 0.00033 92 5ZZ 0.00019 0.00003 0.00000 0.00000 0.00004 93 5XY -0.00007 -0.00001 0.00000 0.00000 -0.00015 94 5XZ 0.00000 0.00000 0.00002 0.00001 0.00000 95 5YZ 0.00000 0.00000 -0.00016 -0.00005 0.00000 96 6 Cl 1S -0.00003 0.00004 0.00000 0.00000 0.00009 97 2S 0.00005 -0.00012 0.00000 0.00000 -0.00031 98 2PX 0.00001 -0.00001 0.00000 0.00000 0.00000 99 2PY -0.00021 0.00033 0.00000 0.00000 0.00042 100 2PZ 0.00000 0.00000 0.00006 -0.00010 0.00000 101 3S 0.00000 -0.00018 0.00000 0.00000 0.00053 102 3PX 0.00002 -0.00005 0.00000 0.00000 0.00017 103 3PY 0.00041 -0.00055 0.00000 0.00000 -0.00062 104 3PZ 0.00000 0.00000 -0.00012 0.00003 0.00000 105 4S 0.00166 -0.00229 0.00000 0.00000 -0.00192 106 4PX -0.00017 -0.00013 0.00000 0.00000 -0.00006 107 4PY -0.00163 0.00245 0.00000 0.00000 0.00214 108 4PZ 0.00000 0.00000 0.00059 -0.00053 0.00000 109 5XX -0.00012 0.00012 0.00000 0.00000 0.00004 110 5YY -0.00046 0.00069 0.00000 0.00000 0.00032 111 5ZZ -0.00015 0.00012 0.00000 0.00000 0.00005 112 5XY 0.00006 -0.00004 0.00000 0.00000 -0.00014 113 5XZ 0.00000 0.00000 0.00002 -0.00002 0.00000 114 5YZ 0.00000 0.00000 -0.00009 0.00014 0.00000 115 7 Br 1S -0.00002 -0.00002 0.00000 0.00000 -0.00004 116 2S 0.00012 0.00003 0.00000 0.00000 0.00033 117 3S -0.00018 0.00008 0.00000 0.00000 -0.00049 118 4S 0.00000 -0.00006 0.00000 0.00000 -0.00040 119 5S 0.00191 0.00045 0.00000 0.00000 0.00180 120 6S -0.00589 -0.00122 0.00000 0.00000 -0.00514 121 7PX -0.00010 -0.00005 0.00000 0.00000 -0.00013 122 7PY -0.00009 -0.00005 0.00000 0.00000 -0.00013 123 7PZ 0.00000 0.00000 0.00004 0.00001 0.00000 124 8PX 0.00029 0.00014 0.00000 0.00000 0.00039 125 8PY 0.00025 0.00013 0.00000 0.00000 0.00035 126 8PZ 0.00000 0.00000 -0.00011 -0.00003 0.00000 127 9PX -0.00037 -0.00012 0.00000 0.00000 -0.00055 128 9PY -0.00041 -0.00014 0.00000 0.00000 -0.00026 129 9PZ 0.00000 0.00000 0.00011 -0.00007 0.00000 130 10PX 0.00196 0.00108 0.00000 0.00000 0.00198 131 10PY 0.00193 0.00075 0.00000 0.00000 0.00166 132 10PZ 0.00000 0.00000 -0.00072 -0.00001 0.00000 133 11XX 0.00011 -0.00006 0.00000 0.00000 0.00083 134 11YY 0.00006 -0.00010 0.00000 0.00000 0.00140 135 11ZZ -0.00003 -0.00013 0.00000 0.00000 -0.00152 136 11XY 0.00011 0.00007 0.00000 0.00000 0.00319 137 11XZ 0.00000 0.00000 -0.00119 -0.00056 0.00000 138 11YZ 0.00000 0.00000 -0.00095 -0.00045 0.00000 139 12XX 0.00101 -0.00002 0.00000 0.00000 0.00124 140 12YY 0.00102 0.00010 0.00000 0.00000 0.00052 141 12ZZ 0.00118 0.00002 0.00000 0.00000 0.00110 142 12XY -0.00008 -0.00005 0.00000 0.00000 -0.00025 143 12XZ 0.00000 0.00000 0.00061 0.00022 0.00000 144 12YZ 0.00000 0.00000 0.00047 0.00019 0.00000 145 8 Br 1S 0.00001 -0.00003 0.00000 0.00000 -0.00004 146 2S -0.00009 0.00009 0.00000 0.00000 0.00032 147 3S 0.00019 -0.00002 0.00000 0.00000 -0.00048 148 4S -0.00002 -0.00005 0.00000 0.00000 -0.00038 149 5S -0.00145 0.00132 0.00000 0.00000 0.00180 150 6S 0.00455 -0.00393 0.00000 0.00000 -0.00514 151 7PX -0.00006 0.00009 0.00000 0.00000 0.00013 152 7PY -0.00005 0.00008 0.00000 0.00000 0.00012 153 7PZ 0.00000 0.00000 -0.00002 0.00003 0.00000 154 8PX 0.00018 -0.00026 0.00000 0.00000 -0.00038 155 8PY 0.00015 -0.00023 0.00000 0.00000 -0.00034 156 8PZ 0.00000 0.00000 0.00007 -0.00010 0.00000 157 9PX -0.00027 0.00028 0.00000 0.00000 0.00055 158 9PY -0.00029 0.00032 0.00000 0.00000 0.00025 159 9PZ 0.00000 0.00000 -0.00012 0.00002 0.00000 160 10PX 0.00118 -0.00190 0.00000 0.00000 -0.00195 161 10PY 0.00132 -0.00159 0.00000 0.00000 -0.00160 162 10PZ 0.00000 0.00000 0.00055 -0.00046 0.00000 163 11XX -0.00012 0.00000 0.00000 0.00000 0.00081 164 11YY -0.00010 -0.00005 0.00000 0.00000 0.00136 165 11ZZ -0.00004 -0.00013 0.00000 0.00000 -0.00145 166 11XY -0.00007 0.00012 0.00000 0.00000 0.00308 167 11XZ 0.00000 0.00000 -0.00057 0.00119 0.00000 168 11YZ 0.00000 0.00000 -0.00045 0.00095 0.00000 169 12XX -0.00089 0.00047 0.00000 0.00000 0.00123 170 12YY -0.00084 0.00059 0.00000 0.00000 0.00054 171 12ZZ -0.00102 0.00059 0.00000 0.00000 0.00111 172 12XY 0.00005 -0.00008 0.00000 0.00000 -0.00024 173 12XZ 0.00000 0.00000 0.00034 -0.00056 0.00000 174 12YZ 0.00000 0.00000 0.00024 -0.00044 0.00000 46 47 48 49 50 O O O O O Eigenvalues -- -2.80076 -2.79891 -2.79890 -2.66573 -2.66573 1 1 Al 1S -0.00091 0.00007 0.00006 0.00023 -0.00001 2 2S 0.00386 -0.00033 -0.00028 -0.00131 -0.00001 3 2PX 0.64549 0.26119 0.22476 -0.00891 0.00028 4 2PY -0.23882 0.70430 0.60771 -0.00713 0.00021 5 2PZ 0.00018 -0.00001 -0.00001 0.00000 0.00000 6 3S -0.00126 -0.00042 -0.00028 -0.00368 -0.00010 7 3PX 0.02161 0.00910 0.00773 -0.00200 -0.00004 8 3PY -0.00794 0.02484 0.02102 -0.00154 0.00000 9 3PZ 0.00001 0.00000 0.00000 0.00000 0.00000 10 4S -0.00018 -0.00026 -0.00073 -0.00253 0.00151 11 4PX -0.00422 -0.00169 -0.00016 0.00129 -0.00069 12 4PY 0.00154 -0.00509 -0.00205 -0.00010 0.00029 13 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 14 5XX -0.00027 0.00104 0.00093 0.00081 0.00000 15 5YY 0.00230 -0.00086 -0.00088 0.00078 -0.00004 16 5ZZ 0.00022 0.00007 0.00004 0.00068 -0.00004 17 5XY 0.00172 0.00111 0.00103 0.00019 0.00000 18 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 19 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 20 2 Al 1S 0.00094 0.00006 -0.00007 0.00001 0.00023 21 2S -0.00399 -0.00028 0.00033 -0.00008 -0.00131 22 2PX 0.67010 -0.22530 0.26062 0.00023 0.00891 23 2PY -0.24788 -0.60743 0.70458 0.00019 0.00714 24 2PZ 0.00021 0.00000 -0.00001 0.00000 0.00000 25 3S 0.00139 -0.00037 0.00034 -0.00030 -0.00367 26 3PX 0.02248 -0.00786 0.00898 0.00015 0.00199 27 3PY -0.00826 -0.02149 0.02444 0.00009 0.00154 28 3PZ 0.00001 0.00000 0.00000 0.00000 0.00000 29 4S 0.00018 -0.00015 0.00077 0.00136 -0.00261 30 4PX -0.00438 0.00165 -0.00041 0.00061 -0.00133 31 4PY 0.00161 0.00473 -0.00278 -0.00028 0.00012 32 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 33 5XX 0.00026 0.00089 -0.00108 0.00005 0.00081 34 5YY -0.00238 -0.00072 0.00100 0.00001 0.00078 35 5ZZ -0.00021 0.00007 -0.00005 0.00000 0.00068 36 5XY -0.00178 0.00094 -0.00119 0.00001 0.00019 37 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 38 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 39 3 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 40 2S -0.00001 -0.00001 0.00000 -0.00003 -0.00003 41 2PX 0.00023 0.00000 -0.00005 0.00000 0.00000 42 2PY -0.00009 -0.00001 -0.00011 -0.00001 0.00001 43 2PZ -0.00001 -0.00001 0.00000 -0.00001 -0.00001 44 3S 0.00003 0.00003 0.00000 -0.00006 -0.00005 45 3PX 0.00017 0.00001 0.00014 0.00000 0.00000 46 3PY -0.00006 0.00003 0.00039 0.00007 -0.00008 47 3PZ 0.00001 0.00004 0.00000 0.00005 0.00005 48 4S -0.00010 0.00005 0.00000 0.00061 0.00058 49 4PX 0.00156 -0.00005 -0.00073 0.00040 -0.00042 50 4PY -0.00065 -0.00015 -0.00207 -0.00022 0.00023 51 4PZ -0.00009 -0.00011 0.00001 0.00007 0.00007 52 5XX 0.00001 -0.00019 0.00001 0.00000 0.00000 53 5YY 0.00001 0.00020 -0.00002 -0.00005 -0.00005 54 5ZZ 0.00000 0.00000 0.00000 -0.00004 -0.00004 55 5XY 0.00000 -0.00024 0.00002 0.00001 0.00001 56 5XZ 0.00013 -0.00001 -0.00015 0.00004 -0.00004 57 5YZ -0.00006 -0.00003 -0.00037 0.00002 -0.00002 58 4 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 59 2S -0.00001 -0.00001 0.00000 -0.00003 -0.00003 60 2PX 0.00023 0.00000 -0.00005 0.00000 0.00000 61 2PY -0.00009 -0.00001 -0.00011 -0.00001 0.00001 62 2PZ 0.00001 0.00001 0.00000 0.00001 0.00001 63 3S 0.00003 0.00003 0.00000 -0.00006 -0.00005 64 3PX 0.00017 0.00001 0.00014 0.00000 0.00000 65 3PY -0.00006 0.00003 0.00039 0.00007 -0.00008 66 3PZ -0.00001 -0.00004 0.00000 -0.00005 -0.00005 67 4S -0.00010 0.00005 0.00000 0.00061 0.00058 68 4PX 0.00156 -0.00005 -0.00073 0.00040 -0.00042 69 4PY -0.00065 -0.00015 -0.00207 -0.00022 0.00023 70 4PZ 0.00009 0.00011 -0.00001 -0.00007 -0.00007 71 5XX 0.00001 -0.00019 0.00001 0.00000 0.00000 72 5YY 0.00001 0.00020 -0.00002 -0.00005 -0.00005 73 5ZZ 0.00000 0.00000 0.00000 -0.00004 -0.00004 74 5XY 0.00000 -0.00024 0.00002 0.00001 0.00001 75 5XZ -0.00013 0.00001 0.00015 -0.00004 0.00004 76 5YZ 0.00006 0.00003 0.00037 -0.00002 0.00002 77 5 Cl 1S 0.00007 -0.00018 -0.00016 0.00000 0.00000 78 2S -0.00038 0.00075 0.00063 -0.00004 0.00001 79 2PX -0.00007 -0.00016 -0.00012 -0.00002 0.00000 80 2PY -0.00038 0.00091 0.00076 -0.00001 0.00000 81 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 3S 0.00020 -0.00075 -0.00074 -0.00010 0.00002 83 3PX 0.00019 0.00032 0.00016 0.00010 -0.00002 84 3PY 0.00039 -0.00130 -0.00100 0.00000 0.00000 85 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 86 4S -0.00078 0.00347 0.00400 0.00077 -0.00019 87 4PX -0.00073 -0.00108 -0.00076 -0.00015 0.00010 88 4PY -0.00147 0.00398 0.00324 0.00020 -0.00007 89 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 5XX -0.00009 0.00006 0.00003 -0.00008 0.00001 91 5YY 0.00019 -0.00095 -0.00086 -0.00006 0.00001 92 5ZZ -0.00013 0.00005 0.00005 -0.00006 0.00001 93 5XY -0.00013 0.00004 0.00005 0.00006 0.00000 94 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 6 Cl 1S -0.00008 -0.00015 0.00018 0.00000 0.00000 97 2S 0.00039 0.00065 -0.00073 0.00001 -0.00005 98 2PX -0.00007 0.00014 -0.00014 0.00000 0.00002 99 2PY -0.00039 -0.00078 0.00088 0.00000 0.00001 100 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 3S -0.00022 -0.00063 0.00084 0.00002 -0.00010 102 3PX 0.00018 -0.00029 0.00020 0.00001 -0.00010 103 3PY 0.00042 0.00114 -0.00118 0.00000 0.00000 104 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4S 0.00085 0.00285 -0.00446 -0.00014 0.00077 106 4PX -0.00073 0.00095 -0.00091 -0.00009 0.00016 107 4PY -0.00155 -0.00346 0.00379 0.00006 -0.00020 108 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 109 5XX 0.00009 0.00005 -0.00004 0.00001 -0.00008 110 5YY -0.00020 -0.00082 0.00099 0.00001 -0.00006 111 5ZZ 0.00013 0.00004 -0.00006 0.00001 -0.00006 112 5XY 0.00014 0.00003 -0.00006 0.00001 0.00006 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 7 Br 1S -0.00005 -0.00008 -0.00007 -0.00030 0.00001 116 2S 0.00025 0.00052 0.00045 0.00186 -0.00005 117 3S -0.00017 -0.00062 -0.00056 -0.00209 0.00006 118 4S -0.00052 -0.00074 -0.00063 -0.00314 0.00009 119 5S 0.00012 0.00185 0.00209 -0.00135 0.00007 120 6S -0.00003 -0.00518 -0.00621 0.00815 -0.00033 121 7PX -0.00010 -0.00026 -0.00021 -0.00076 0.00002 122 7PY -0.00012 -0.00018 -0.00015 -0.00061 0.00002 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00027 0.00075 0.00061 0.00201 -0.00006 125 8PY 0.00035 0.00051 0.00044 0.00163 -0.00005 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX 0.00000 -0.00077 -0.00050 -0.00044 0.00001 128 9PY -0.00029 -0.00042 -0.00037 -0.00046 0.00002 129 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 10PX 0.00072 0.00316 0.00253 -0.00292 0.00014 131 10PY 0.00156 0.00183 0.00161 -0.00204 0.00003 132 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 11XX 0.00061 0.00339 0.00293 0.42342 -0.01197 134 11YY 0.00114 0.00019 0.00018 0.08913 -0.00250 135 11ZZ -0.00166 -0.00282 -0.00242 -0.50981 0.01439 136 11XY 0.00308 0.00502 0.00433 0.83154 -0.02353 137 11XZ 0.00000 0.00000 0.00000 0.00003 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00002 0.00000 139 12XX 0.00009 0.00046 0.00071 0.00861 -0.00024 140 12YY -0.00074 0.00117 0.00117 0.00060 -0.00001 141 12ZZ -0.00032 0.00086 0.00085 -0.01354 0.00036 142 12XY -0.00024 0.00010 0.00014 0.01975 -0.00056 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00005 -0.00007 0.00008 -0.00001 -0.00030 146 2S -0.00026 0.00045 -0.00053 0.00005 0.00186 147 3S 0.00019 -0.00054 0.00064 -0.00005 -0.00209 148 4S 0.00053 -0.00064 0.00073 -0.00009 -0.00314 149 5S -0.00018 0.00152 -0.00234 -0.00001 -0.00135 150 6S 0.00022 -0.00421 0.00690 0.00013 0.00815 151 7PX -0.00010 0.00023 -0.00025 0.00002 0.00076 152 7PY -0.00013 0.00015 -0.00018 0.00002 0.00061 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00029 -0.00065 0.00072 -0.00006 -0.00201 155 8PY 0.00037 -0.00044 0.00051 -0.00005 -0.00163 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX -0.00002 0.00069 -0.00061 0.00001 0.00044 158 9PY -0.00030 0.00036 -0.00042 0.00001 0.00046 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX 0.00079 -0.00276 0.00297 0.00003 0.00292 161 10PY 0.00162 -0.00157 0.00186 0.00009 0.00204 162 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 11XX -0.00064 0.00292 -0.00340 0.01197 0.42325 164 11YY -0.00120 0.00016 -0.00020 0.00254 0.08930 165 11ZZ 0.00171 -0.00243 0.00280 -0.01444 -0.50980 166 11XY -0.00320 0.00433 -0.00502 0.02350 0.83159 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00003 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00002 169 12XX -0.00014 0.00035 -0.00077 0.00025 0.00860 170 12YY 0.00072 0.00098 -0.00133 0.00003 0.00060 171 12ZZ 0.00028 0.00073 -0.00097 -0.00040 -0.01354 172 12XY 0.00025 0.00008 -0.00015 0.00056 0.01975 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 51 52 53 54 55 O O O O O Eigenvalues -- -2.66376 -2.66375 -2.66356 -2.66356 -2.65828 1 1 Al 1S 0.00000 0.00000 0.00001 0.00000 0.00000 2 2S 0.00000 0.00000 0.00016 -0.00008 0.00000 3 2PX 0.00000 0.00000 0.00114 0.00020 0.00000 4 2PY 0.00000 0.00000 -0.00142 -0.00021 0.00000 5 2PZ 0.00187 -0.00012 0.00000 0.00000 0.00000 6 3S 0.00000 0.00000 0.00111 -0.00035 0.00000 7 3PX 0.00000 0.00000 0.00040 0.00008 0.00000 8 3PY 0.00000 0.00000 -0.00082 -0.00015 0.00000 9 3PZ 0.00074 0.00006 0.00000 0.00000 0.00014 10 4S 0.00000 0.00000 -0.00440 0.00246 0.00000 11 4PX 0.00000 0.00000 0.00313 -0.00118 0.00000 12 4PY 0.00000 0.00000 -0.00268 -0.00004 0.00000 13 4PZ 0.00149 0.00008 0.00000 0.00000 0.00031 14 5XX 0.00000 0.00000 0.00026 0.00003 0.00000 15 5YY 0.00000 0.00000 -0.00030 -0.00007 0.00000 16 5ZZ 0.00000 0.00000 -0.00018 -0.00019 0.00000 17 5XY 0.00000 0.00000 -0.00015 -0.00001 0.00000 18 5XZ 0.00028 -0.00006 0.00000 0.00000 0.00005 19 5YZ 0.00039 -0.00003 0.00000 0.00000 -0.00009 20 2 Al 1S 0.00000 0.00000 0.00000 0.00001 0.00000 21 2S 0.00000 0.00000 -0.00012 0.00013 0.00000 22 2PX 0.00000 0.00000 0.00014 -0.00115 0.00000 23 2PY 0.00000 0.00000 -0.00021 0.00142 0.00000 24 2PZ -0.00009 -0.00187 0.00000 0.00000 -0.00001 25 3S 0.00000 0.00000 -0.00065 0.00096 0.00000 26 3PX 0.00000 0.00000 0.00004 -0.00041 0.00000 27 3PY 0.00000 0.00000 -0.00009 0.00083 0.00000 28 3PZ -0.00014 -0.00073 0.00000 0.00000 0.00001 29 4S 0.00000 0.00000 0.00362 -0.00350 0.00000 30 4PX 0.00000 0.00000 0.00203 -0.00265 0.00000 31 4PY 0.00000 0.00000 -0.00073 0.00258 0.00000 32 4PZ -0.00024 -0.00148 0.00000 0.00000 -0.00030 33 5XX 0.00000 0.00000 -0.00004 0.00026 0.00000 34 5YY 0.00000 0.00000 0.00002 -0.00031 0.00000 35 5ZZ 0.00000 0.00000 -0.00013 -0.00022 0.00000 36 5XY 0.00000 0.00000 0.00003 -0.00015 0.00000 37 5XZ -0.00003 0.00028 0.00000 0.00000 0.00001 38 5YZ 0.00002 0.00039 0.00000 0.00000 0.00002 39 3 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 40 2S -0.00003 0.00003 -0.00005 -0.00007 -0.00001 41 2PX -0.00001 -0.00001 0.00001 0.00000 0.00003 42 2PY -0.00002 -0.00002 -0.00001 0.00000 0.00001 43 2PZ -0.00002 0.00002 0.00000 0.00000 0.00001 44 3S -0.00008 0.00009 -0.00016 -0.00022 -0.00007 45 3PX 0.00000 0.00000 -0.00006 0.00004 -0.00015 46 3PY 0.00010 0.00009 0.00002 -0.00002 -0.00003 47 3PZ 0.00008 -0.00009 -0.00002 -0.00002 -0.00005 48 4S 0.00068 -0.00077 0.00115 0.00155 0.00018 49 4PX 0.00037 0.00033 0.00079 -0.00059 0.00036 50 4PY -0.00030 -0.00027 -0.00007 0.00006 0.00001 51 4PZ -0.00010 0.00011 0.00037 0.00050 0.00010 52 5XX -0.00001 0.00001 -0.00006 -0.00008 -0.00003 53 5YY -0.00005 0.00005 -0.00009 -0.00012 -0.00002 54 5ZZ -0.00006 0.00007 -0.00005 -0.00007 -0.00002 55 5XY 0.00000 0.00000 0.00002 0.00003 0.00000 56 5XZ 0.00003 0.00002 0.00005 -0.00004 0.00000 57 5YZ 0.00000 0.00000 0.00001 -0.00001 0.00000 58 4 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 59 2S 0.00003 -0.00003 -0.00005 -0.00007 0.00001 60 2PX 0.00001 0.00001 0.00001 0.00000 -0.00003 61 2PY 0.00002 0.00002 -0.00001 0.00000 -0.00001 62 2PZ -0.00002 0.00002 0.00000 0.00000 0.00001 63 3S 0.00008 -0.00009 -0.00016 -0.00022 0.00007 64 3PX 0.00000 0.00000 -0.00006 0.00004 0.00015 65 3PY -0.00010 -0.00009 0.00002 -0.00002 0.00003 66 3PZ 0.00008 -0.00009 0.00002 0.00002 -0.00005 67 4S -0.00069 0.00077 0.00115 0.00155 -0.00018 68 4PX -0.00037 -0.00033 0.00079 -0.00059 -0.00036 69 4PY 0.00030 0.00027 -0.00007 0.00006 -0.00001 70 4PZ -0.00010 0.00011 -0.00037 -0.00050 0.00010 71 5XX 0.00001 -0.00001 -0.00006 -0.00008 0.00003 72 5YY 0.00005 -0.00005 -0.00009 -0.00012 0.00002 73 5ZZ 0.00006 -0.00007 -0.00005 -0.00007 0.00002 74 5XY 0.00000 0.00000 0.00002 0.00003 0.00000 75 5XZ 0.00003 0.00002 -0.00005 0.00004 0.00000 76 5YZ 0.00000 0.00000 -0.00001 0.00001 0.00000 77 5 Cl 1S 0.00000 0.00000 0.00001 0.00000 0.00000 78 2S 0.00000 0.00000 0.00006 0.00002 0.00000 79 2PX 0.00000 0.00000 -0.00002 0.00000 0.00000 80 2PY 0.00000 0.00000 0.00001 0.00000 0.00000 81 2PZ -0.00003 0.00000 0.00000 0.00000 0.00000 82 3S 0.00000 0.00000 0.00020 0.00007 0.00000 83 3PX 0.00000 0.00000 0.00014 0.00001 0.00000 84 3PY 0.00000 0.00000 -0.00003 0.00000 0.00000 85 3PZ 0.00018 -0.00002 0.00000 0.00000 0.00001 86 4S 0.00000 0.00000 -0.00131 -0.00057 0.00000 87 4PX 0.00000 0.00000 -0.00066 0.00004 0.00000 88 4PY 0.00000 0.00000 -0.00026 -0.00015 0.00000 89 4PZ -0.00057 0.00003 0.00000 0.00000 -0.00010 90 5XX 0.00000 0.00000 0.00011 0.00004 0.00000 91 5YY 0.00000 0.00000 0.00006 0.00003 0.00000 92 5ZZ 0.00000 0.00000 0.00012 0.00002 0.00000 93 5XY 0.00000 0.00000 -0.00006 0.00000 0.00000 94 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 5YZ -0.00003 0.00000 0.00000 0.00000 -0.00002 96 6 Cl 1S 0.00000 0.00000 0.00000 0.00001 0.00000 97 2S 0.00000 0.00000 0.00000 0.00006 0.00000 98 2PX 0.00000 0.00000 0.00000 0.00002 0.00000 99 2PY 0.00000 0.00000 0.00000 -0.00001 0.00000 100 2PZ 0.00000 0.00003 0.00000 0.00000 0.00001 101 3S 0.00000 0.00000 0.00001 0.00022 0.00000 102 3PX 0.00000 0.00000 0.00003 -0.00013 0.00000 103 3PY 0.00000 0.00000 -0.00001 0.00003 0.00000 104 3PZ 0.00000 -0.00018 0.00000 0.00000 -0.00003 105 4S 0.00000 0.00000 -0.00017 -0.00142 0.00000 106 4PX 0.00000 0.00000 -0.00023 0.00062 0.00000 107 4PY 0.00000 0.00000 0.00006 0.00029 0.00000 108 4PZ 0.00004 0.00057 0.00000 0.00000 0.00010 109 5XX 0.00000 0.00000 0.00000 0.00012 0.00000 110 5YY 0.00000 0.00000 0.00001 0.00007 0.00000 111 5ZZ 0.00000 0.00000 -0.00001 0.00012 0.00000 112 5XY 0.00000 0.00000 0.00002 -0.00006 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 -0.00003 0.00000 0.00000 0.00000 115 7 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00000 0.00000 0.00000 0.00000 0.00000 117 3S 0.00000 0.00000 0.00005 0.00002 0.00000 118 4S 0.00000 0.00000 -0.00007 -0.00001 0.00000 119 5S 0.00000 0.00000 -0.00079 -0.00011 0.00000 120 6S 0.00000 0.00000 0.00238 0.00034 0.00000 121 7PX 0.00000 0.00000 -0.00045 -0.00007 0.00000 122 7PY 0.00000 0.00000 0.00057 0.00009 0.00000 123 7PZ -0.00074 0.00004 0.00000 0.00000 0.00001 124 8PX 0.00000 0.00000 0.00118 0.00018 0.00000 125 8PY 0.00000 0.00000 -0.00148 -0.00023 0.00000 126 8PZ 0.00195 -0.00011 0.00000 0.00000 -0.00002 127 9PX 0.00000 0.00000 -0.00009 -0.00005 0.00000 128 9PY 0.00000 0.00000 0.00025 0.00008 0.00000 129 9PZ -0.00046 0.00003 0.00000 0.00000 0.00004 130 10PX 0.00000 0.00000 -0.00146 -0.00002 0.00000 131 10PY 0.00000 0.00000 0.00099 0.00004 0.00000 132 10PZ -0.00105 0.00002 0.00000 0.00000 -0.00008 133 11XX -0.00020 0.00001 0.83215 0.12271 0.00012 134 11YY 0.00016 -0.00001 -0.82850 -0.12214 0.00015 135 11ZZ 0.00003 0.00000 -0.00375 -0.00061 -0.00026 136 11XY 0.00003 0.00000 -0.22484 -0.03318 -0.00015 137 11XZ 0.78206 -0.04320 0.00017 0.00003 -0.61305 138 11YZ 0.61343 -0.03386 0.00011 0.00002 0.78157 139 12XX 0.00000 0.00000 0.01829 0.00266 0.00000 140 12YY 0.00000 0.00000 -0.01909 -0.00281 0.00000 141 12ZZ 0.00000 0.00000 -0.00055 -0.00012 -0.00001 142 12XY 0.00000 0.00000 -0.00500 -0.00074 0.00000 143 12XZ 0.01751 -0.00097 0.00000 0.00000 -0.01301 144 12YZ 0.01374 -0.00075 0.00000 0.00000 0.01662 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3S 0.00000 0.00000 0.00000 0.00006 0.00000 148 4S 0.00000 0.00000 0.00001 -0.00007 0.00000 149 5S 0.00000 0.00000 0.00012 -0.00079 0.00000 150 6S 0.00000 0.00000 -0.00036 0.00238 0.00000 151 7PX 0.00000 0.00000 -0.00007 0.00045 0.00000 152 7PY 0.00000 0.00000 0.00008 -0.00057 0.00000 153 7PZ 0.00004 0.00074 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00017 -0.00119 0.00000 155 8PY 0.00000 0.00000 -0.00021 0.00149 0.00000 156 8PZ -0.00011 -0.00195 0.00000 0.00000 0.00000 157 9PX 0.00000 0.00000 0.00002 0.00010 0.00000 158 9PY 0.00000 0.00000 0.00000 -0.00026 0.00000 159 9PZ 0.00002 0.00046 0.00000 0.00000 -0.00002 160 10PX 0.00000 0.00000 -0.00040 0.00140 0.00000 161 10PY 0.00000 0.00000 0.00025 -0.00096 0.00000 162 10PZ 0.00009 0.00105 0.00000 0.00000 0.00008 163 11XX -0.00001 -0.00018 -0.12269 0.83220 0.00000 164 11YY 0.00001 0.00014 0.12218 -0.82854 0.00000 165 11ZZ 0.00000 0.00004 0.00050 -0.00377 -0.00001 166 11XY 0.00000 0.00002 0.03309 -0.22461 -0.00001 167 11XZ 0.04318 0.78199 -0.00002 0.00016 -0.04223 168 11YZ 0.03389 0.61352 -0.00001 0.00010 0.05379 169 12XX 0.00000 0.00000 -0.00273 0.01828 0.00000 170 12YY 0.00000 0.00000 0.00282 -0.01908 0.00000 171 12ZZ 0.00000 0.00000 0.00004 -0.00056 0.00000 172 12XY 0.00000 0.00000 0.00073 -0.00499 0.00000 173 12XZ 0.00097 0.01751 0.00000 0.00000 -0.00089 174 12YZ 0.00077 0.01374 0.00000 0.00000 0.00116 56 57 58 59 60 O O O O O Eigenvalues -- -2.65828 -2.65827 -2.65827 -0.90344 -0.88087 1 1 Al 1S 0.00000 0.00001 -0.00001 0.01059 0.00000 2 2S 0.00000 0.00002 -0.00005 -0.05006 0.00000 3 2PX 0.00000 -0.00013 -0.00003 0.02732 0.00000 4 2PY 0.00000 -0.00012 -0.00001 -0.00892 0.00000 5 2PZ 0.00000 0.00000 0.00000 0.00001 -0.02960 6 3S 0.00000 0.00028 -0.00055 0.09447 0.00000 7 3PX 0.00000 -0.00007 0.00009 -0.05356 0.00000 8 3PY 0.00000 0.00003 -0.00005 0.01618 0.00000 9 3PZ -0.00002 0.00000 0.00000 -0.00001 0.05190 10 4S 0.00000 -0.00189 0.00178 -0.02108 0.00000 11 4PX 0.00000 0.00081 -0.00136 0.01528 0.00000 12 4PY 0.00000 -0.00057 -0.00019 -0.00228 0.00000 13 4PZ 0.00026 0.00000 0.00000 0.00000 -0.01240 14 5XX 0.00000 0.00003 0.00005 0.00720 0.00000 15 5YY 0.00000 0.00008 0.00011 -0.00987 0.00000 16 5ZZ 0.00000 -0.00013 0.00006 0.00589 0.00000 17 5XY 0.00000 -0.00009 -0.00003 -0.01170 0.00000 18 5XZ 0.00000 0.00000 0.00000 0.00000 -0.02572 19 5YZ 0.00003 0.00000 0.00000 0.00000 0.01029 20 2 Al 1S 0.00000 -0.00001 0.00001 0.01059 0.00000 21 2S 0.00000 -0.00005 0.00002 -0.05006 -0.00001 22 2PX 0.00000 0.00001 0.00013 -0.02732 -0.00001 23 2PY 0.00000 -0.00001 0.00012 0.00892 0.00000 24 2PZ 0.00000 0.00000 0.00000 0.00000 -0.02960 25 3S 0.00000 -0.00059 0.00020 0.09447 0.00002 26 3PX 0.00000 -0.00009 0.00006 0.05357 0.00001 27 3PY 0.00000 0.00006 -0.00002 -0.01618 0.00000 28 3PZ -0.00014 0.00000 0.00000 0.00000 0.05190 29 4S 0.00000 0.00202 -0.00163 -0.02108 -0.00001 30 4PX 0.00000 0.00146 -0.00061 -0.01528 0.00000 31 4PY 0.00000 0.00011 0.00059 0.00228 0.00000 32 4PZ -0.00027 0.00000 0.00000 0.00000 -0.01240 33 5XX 0.00000 0.00005 0.00004 0.00720 0.00000 34 5YY 0.00000 0.00010 0.00010 -0.00987 0.00000 35 5ZZ 0.00000 0.00008 -0.00012 0.00589 0.00000 36 5XY 0.00000 -0.00002 -0.00009 -0.01170 0.00000 37 5XZ 0.00005 0.00000 0.00000 0.00000 0.02572 38 5YZ -0.00009 0.00000 0.00000 0.00000 -0.01029 39 3 Cl 1S 0.00000 0.00000 0.00000 0.05647 -0.05997 40 2S 0.00001 0.00001 0.00001 -0.25545 0.27066 41 2PX 0.00003 0.00000 0.00000 0.00000 0.00000 42 2PY 0.00001 -0.00001 0.00001 0.00000 0.00000 43 2PZ -0.00001 0.00000 0.00000 -0.02341 0.01542 44 3S 0.00008 0.00004 0.00004 0.50347 -0.53997 45 3PX -0.00013 -0.00003 0.00003 0.00000 0.00000 46 3PY -0.00002 0.00005 -0.00004 0.00000 0.00000 47 3PZ 0.00006 0.00000 0.00000 0.05586 -0.03785 48 4S -0.00021 -0.00020 -0.00023 0.21480 -0.22605 49 4PX 0.00031 0.00030 -0.00027 0.00000 0.00000 50 4PY 0.00001 -0.00024 0.00021 0.00000 0.00000 51 4PZ -0.00012 -0.00003 -0.00004 0.01272 -0.01072 52 5XX 0.00003 0.00003 0.00003 -0.00135 0.00058 53 5YY 0.00003 0.00001 0.00001 -0.01014 0.00910 54 5ZZ 0.00003 0.00001 0.00001 0.00342 -0.00014 55 5XY 0.00000 0.00000 0.00000 -0.00484 0.00465 56 5XZ 0.00000 0.00001 -0.00001 0.00000 0.00000 57 5YZ 0.00000 -0.00001 0.00001 0.00000 0.00000 58 4 Cl 1S 0.00000 0.00000 0.00000 0.05646 0.05998 59 2S -0.00001 0.00001 0.00001 -0.25541 -0.27070 60 2PX -0.00003 0.00000 0.00000 0.00000 0.00000 61 2PY -0.00001 -0.00001 0.00001 0.00000 0.00000 62 2PZ -0.00001 0.00000 0.00000 0.02341 0.01542 63 3S -0.00008 0.00004 0.00004 0.50338 0.54006 64 3PX 0.00013 -0.00003 0.00003 0.00000 -0.00001 65 3PY 0.00002 0.00005 -0.00004 0.00000 0.00000 66 3PZ 0.00006 0.00000 0.00000 -0.05585 -0.03786 67 4S 0.00021 -0.00020 -0.00023 0.21476 0.22609 68 4PX -0.00031 0.00030 -0.00027 0.00000 0.00000 69 4PY -0.00001 -0.00024 0.00021 0.00000 0.00000 70 4PZ -0.00012 0.00003 0.00004 -0.01272 -0.01072 71 5XX -0.00003 0.00003 0.00003 -0.00135 -0.00058 72 5YY -0.00003 0.00001 0.00001 -0.01014 -0.00910 73 5ZZ -0.00003 0.00001 0.00001 0.00342 0.00014 74 5XY 0.00000 0.00000 0.00000 -0.00484 -0.00465 75 5XZ 0.00000 -0.00001 0.00001 0.00000 0.00000 76 5YZ 0.00000 0.00001 -0.00001 0.00000 0.00000 77 5 Cl 1S 0.00000 0.00000 0.00000 0.00636 0.00000 78 2S 0.00000 -0.00001 0.00003 -0.02914 0.00000 79 2PX 0.00000 0.00000 0.00002 0.00142 0.00000 80 2PY 0.00000 0.00002 0.00000 -0.00518 0.00000 81 2PZ -0.00001 0.00000 0.00000 0.00000 -0.00116 82 3S 0.00000 -0.00005 0.00013 0.05457 0.00000 83 3PX 0.00000 0.00000 -0.00009 -0.00291 0.00000 84 3PY 0.00000 -0.00008 0.00001 0.01257 0.00000 85 3PZ 0.00003 0.00000 0.00000 0.00000 0.00255 86 4S 0.00000 0.00021 -0.00070 0.02840 0.00000 87 4PX 0.00000 -0.00010 0.00035 -0.00271 0.00000 88 4PY 0.00000 0.00018 -0.00017 0.00396 0.00000 89 4PZ -0.00009 0.00000 0.00000 0.00000 0.00071 90 5XX 0.00000 -0.00002 0.00005 -0.00146 0.00000 91 5YY 0.00000 -0.00003 0.00004 0.00280 0.00000 92 5ZZ 0.00000 -0.00002 0.00005 -0.00158 0.00000 93 5XY 0.00000 -0.00001 0.00002 -0.00110 0.00000 94 5XZ 0.00000 0.00000 0.00000 0.00000 -0.00034 95 5YZ 0.00000 0.00000 0.00000 0.00000 0.00061 96 6 Cl 1S 0.00000 0.00000 0.00000 0.00636 0.00000 97 2S 0.00000 0.00003 0.00000 -0.02914 -0.00001 98 2PX 0.00000 -0.00002 0.00000 -0.00142 0.00000 99 2PY 0.00000 0.00000 -0.00002 0.00518 0.00000 100 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00116 101 3S 0.00000 0.00013 -0.00004 0.05457 0.00001 102 3PX 0.00000 0.00009 0.00001 0.00291 0.00000 103 3PY 0.00000 -0.00002 0.00008 -0.01257 0.00000 104 3PZ -0.00001 0.00000 0.00000 0.00000 0.00255 105 4S 0.00000 -0.00072 0.00011 0.02840 0.00001 106 4PX 0.00000 -0.00036 0.00005 0.00271 0.00000 107 4PY 0.00000 0.00020 -0.00016 -0.00396 0.00000 108 4PZ 0.00008 0.00000 0.00000 0.00000 0.00071 109 5XX 0.00000 0.00005 -0.00001 -0.00146 0.00000 110 5YY 0.00000 0.00004 -0.00003 0.00280 0.00000 111 5ZZ 0.00000 0.00005 -0.00001 -0.00158 0.00000 112 5XY 0.00000 0.00002 -0.00001 -0.00110 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00034 114 5YZ -0.00002 0.00000 0.00000 0.00000 -0.00061 115 7 Br 1S 0.00000 -0.00001 0.00000 -0.00213 0.00000 116 2S 0.00000 0.00008 0.00000 0.01383 0.00000 117 3S 0.00000 -0.00008 0.00003 -0.01617 0.00000 118 4S 0.00000 -0.00013 -0.00002 -0.02785 0.00000 119 5S 0.00000 -0.00029 -0.00025 0.02145 0.00000 120 6S 0.00000 0.00101 0.00084 0.01606 0.00000 121 7PX 0.00000 -0.00001 0.00000 -0.00140 0.00000 122 7PY 0.00000 -0.00001 0.00000 -0.00076 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00039 124 8PX 0.00000 0.00002 0.00001 0.00426 0.00000 125 8PY 0.00000 0.00003 -0.00001 0.00233 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 -0.00116 127 9PX 0.00000 0.00005 -0.00004 -0.00692 0.00000 128 9PY 0.00000 -0.00003 0.00004 -0.00442 0.00000 129 9PZ 0.00002 0.00000 0.00000 0.00000 0.00173 130 10PX 0.00000 -0.00028 0.00010 -0.00700 0.00000 131 10PY 0.00000 -0.00003 -0.00013 -0.00274 0.00000 132 10PZ -0.00007 0.00000 0.00000 0.00000 0.00123 133 11XX -0.00001 -0.32262 -0.02233 0.00637 0.00000 134 11YY -0.00002 -0.52970 -0.03680 0.00751 0.00000 135 11ZZ 0.00004 0.85241 0.05907 0.00802 0.00000 136 11XY 0.00002 0.49575 0.03439 -0.00112 0.00000 137 11XZ 0.04219 -0.00020 -0.00001 0.00000 0.00044 138 11YZ -0.05382 0.00023 0.00001 0.00000 0.00018 139 12XX 0.00000 -0.00700 -0.00067 0.00561 0.00000 140 12YY 0.00000 -0.01145 -0.00093 0.00389 0.00000 141 12ZZ 0.00000 0.01793 0.00108 0.00141 0.00000 142 12XY 0.00000 0.01058 0.00072 0.00352 0.00000 143 12XZ 0.00090 0.00000 0.00000 0.00000 0.00003 144 12YZ -0.00113 0.00000 0.00000 0.00000 -0.00009 145 8 Br 1S 0.00000 0.00000 -0.00001 -0.00213 0.00000 146 2S 0.00000 -0.00001 0.00007 0.01383 0.00000 147 3S 0.00000 0.00004 -0.00007 -0.01617 0.00000 148 4S 0.00000 -0.00001 -0.00014 -0.02785 -0.00001 149 5S 0.00000 -0.00021 -0.00032 0.02145 0.00000 150 6S 0.00000 0.00069 0.00111 0.01606 0.00000 151 7PX 0.00000 0.00000 0.00001 0.00140 0.00000 152 7PY 0.00000 0.00000 0.00001 0.00076 0.00000 153 7PZ -0.00001 0.00000 0.00000 0.00000 0.00039 154 8PX 0.00000 -0.00001 -0.00002 -0.00426 0.00000 155 8PY 0.00000 0.00001 -0.00003 -0.00233 0.00000 156 8PZ 0.00002 0.00000 0.00000 0.00000 -0.00116 157 9PX 0.00000 0.00004 -0.00005 0.00692 0.00000 158 9PY 0.00000 -0.00004 0.00003 0.00442 0.00000 159 9PZ -0.00004 0.00000 0.00000 0.00000 0.00173 160 10PX 0.00000 -0.00014 0.00027 0.00700 0.00000 161 10PY 0.00000 0.00013 0.00005 0.00274 0.00000 162 10PZ 0.00007 0.00000 0.00000 0.00000 0.00123 163 11XX 0.00013 0.02242 -0.32272 0.00637 0.00000 164 11YY 0.00015 0.03665 -0.52961 0.00751 0.00000 165 11ZZ -0.00028 -0.05915 0.85240 0.00802 0.00000 166 11XY -0.00016 -0.03436 0.49578 -0.00112 0.00000 167 11XZ -0.61314 0.00003 -0.00022 0.00000 -0.00044 168 11YZ 0.78150 -0.00003 0.00024 0.00000 -0.00018 169 12XX 0.00000 0.00030 -0.00703 0.00561 0.00000 170 12YY 0.00000 0.00066 -0.01147 0.00388 0.00000 171 12ZZ -0.00001 -0.00140 0.01790 0.00140 0.00000 172 12XY 0.00000 -0.00074 0.01058 0.00352 0.00000 173 12XZ -0.01302 0.00000 0.00000 0.00000 -0.00003 174 12YZ 0.01662 0.00000 0.00001 0.00000 0.00009 61 62 63 64 65 O O O O O Eigenvalues -- -0.83154 -0.82967 -0.78312 -0.78211 -0.50476 1 1 Al 1S 0.00915 0.00716 -0.00732 -0.00634 0.02869 2 2S -0.04276 -0.03410 0.03512 0.03109 -0.13417 3 2PX -0.00474 -0.00909 0.02354 0.02647 0.02202 4 2PY 0.03215 0.03436 0.02452 0.02235 -0.00500 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.00001 6 3S 0.09145 0.06963 -0.06935 -0.05690 0.34061 7 3PX 0.00575 0.01573 -0.04031 -0.04829 -0.06098 8 3PY -0.06045 -0.06545 -0.04558 -0.04067 0.01036 9 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00002 10 4S -0.02400 -0.00674 -0.00996 -0.02049 -0.00652 11 4PX 0.00637 0.00029 -0.01315 -0.01019 0.00858 12 4PY 0.00506 0.01647 -0.00719 -0.01798 -0.00478 13 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 14 5XX -0.01401 -0.01515 -0.00779 -0.00752 -0.01496 15 5YY 0.02212 0.02443 0.00299 0.00107 -0.01621 16 5ZZ -0.01390 -0.01627 0.00932 0.01148 0.01241 17 5XY -0.00286 -0.00126 -0.01721 -0.01884 -0.00485 18 5XZ 0.00000 0.00000 0.00000 0.00000 0.00001 19 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 20 2 Al 1S -0.00915 0.00716 0.00731 -0.00635 -0.02869 21 2S 0.04275 -0.03411 -0.03507 0.03114 0.13417 22 2PX -0.00474 0.00909 0.02350 -0.02650 0.02202 23 2PY 0.03214 -0.03437 0.02449 -0.02239 -0.00499 24 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 25 3S -0.09142 0.06967 0.06926 -0.05700 -0.34061 26 3PX 0.00575 -0.01574 -0.04023 0.04835 -0.06099 27 3PY -0.06042 0.06547 -0.04552 0.04074 0.01035 28 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 29 4S 0.02400 -0.00675 0.00993 -0.02051 0.00652 30 4PX 0.00637 -0.00029 -0.01313 0.01020 0.00858 31 4PY 0.00506 -0.01647 -0.00716 0.01799 -0.00478 32 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 33 5XX 0.01400 -0.01516 0.00778 -0.00753 0.01496 34 5YY -0.02211 0.02443 -0.00299 0.00107 0.01622 35 5ZZ 0.01390 -0.01627 -0.00931 0.01149 -0.01241 36 5XY 0.00286 -0.00126 0.01718 -0.01887 0.00485 37 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 38 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 39 3 Cl 1S 0.00000 -0.00912 0.00000 0.00508 0.00000 40 2S 0.00001 0.04064 -0.00002 -0.02281 0.00001 41 2PX -0.00397 0.00000 0.00572 0.00000 -0.12714 42 2PY 0.00361 0.00000 0.00077 0.00000 0.05169 43 2PZ 0.00000 0.00070 0.00000 0.00086 -0.00001 44 3S -0.00003 -0.08476 0.00004 0.04729 -0.00001 45 3PX 0.00918 0.00000 -0.01400 0.00001 0.32018 46 3PY -0.00852 0.00000 -0.00236 0.00000 -0.13017 47 3PZ 0.00000 -0.00184 0.00000 -0.00165 0.00002 48 4S -0.00001 -0.02997 0.00002 0.02355 -0.00002 49 4PX 0.00684 0.00000 -0.00005 0.00000 0.12883 50 4PY -0.00223 0.00000 0.00545 0.00000 -0.05150 51 4PZ 0.00000 0.00222 0.00000 -0.00237 0.00000 52 5XX 0.00000 0.00029 0.00000 -0.00113 0.00000 53 5YY 0.00000 0.00140 0.00000 -0.00014 0.00000 54 5ZZ 0.00000 -0.00012 0.00000 -0.00024 0.00000 55 5XY 0.00000 -0.00033 0.00000 -0.00044 0.00000 56 5XZ 0.00227 0.00000 -0.00218 0.00000 0.02533 57 5YZ -0.00138 0.00000 0.00024 0.00000 -0.01025 58 4 Cl 1S 0.00000 -0.00912 0.00000 0.00508 0.00000 59 2S 0.00000 0.04064 -0.00002 -0.02281 -0.00001 60 2PX -0.00397 0.00000 0.00572 0.00000 -0.12712 61 2PY 0.00361 0.00000 0.00077 0.00000 0.05169 62 2PZ 0.00000 -0.00070 0.00000 -0.00086 -0.00001 63 3S -0.00001 -0.08476 0.00003 0.04729 0.00001 64 3PX 0.00918 0.00000 -0.01400 0.00001 0.32014 65 3PY -0.00852 0.00000 -0.00236 0.00000 -0.13016 66 3PZ 0.00000 0.00184 0.00000 0.00165 0.00002 67 4S 0.00000 -0.02997 0.00002 0.02355 0.00002 68 4PX 0.00684 0.00000 -0.00005 0.00000 0.12881 69 4PY -0.00223 0.00000 0.00545 -0.00001 -0.05149 70 4PZ 0.00000 -0.00222 0.00000 0.00237 0.00000 71 5XX 0.00000 0.00029 0.00000 -0.00113 0.00000 72 5YY 0.00000 0.00140 0.00000 -0.00014 0.00000 73 5ZZ 0.00000 -0.00012 0.00000 -0.00024 0.00000 74 5XY 0.00000 -0.00033 0.00000 -0.00044 0.00000 75 5XZ -0.00227 0.00000 0.00218 0.00000 -0.02533 76 5YZ 0.00138 0.00000 -0.00024 0.00000 0.01025 77 5 Cl 1S 0.05826 0.05817 0.00714 0.00591 -0.01057 78 2S -0.26322 -0.26282 -0.03201 -0.02629 0.04755 79 2PX 0.00245 0.00224 0.00108 0.00108 0.01164 80 2PY -0.02095 -0.02019 0.00033 0.00032 -0.05880 81 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 3S 0.52376 0.52322 0.06588 0.05503 -0.10534 83 3PX -0.00549 -0.00526 -0.00310 -0.00292 -0.02896 84 3PY 0.04897 0.04722 -0.00110 -0.00101 0.14583 85 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 86 4S 0.20904 0.21040 0.02187 0.01400 -0.06687 87 4PX -0.00258 -0.00093 0.00476 0.00387 -0.00897 88 4PY 0.00217 0.00087 -0.00200 -0.00176 0.04680 89 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 5XX -0.00928 -0.00923 -0.00064 -0.00036 -0.00253 91 5YY 0.00648 0.00592 -0.00071 -0.00038 0.01404 92 5ZZ -0.00918 -0.00911 -0.00054 -0.00022 -0.00227 93 5XY -0.00209 -0.00190 -0.00043 -0.00048 -0.00371 94 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 6 Cl 1S -0.05824 0.05819 -0.00713 0.00592 0.01057 97 2S 0.26311 -0.26293 0.03197 -0.02634 -0.04755 98 2PX 0.00245 -0.00224 0.00107 -0.00108 0.01165 99 2PY -0.02094 0.02020 0.00033 -0.00033 -0.05880 100 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 3S -0.52354 0.52343 -0.06579 0.05512 0.10534 102 3PX -0.00550 0.00527 -0.00309 0.00292 -0.02898 103 3PY 0.04895 -0.04724 -0.00110 0.00101 0.14583 104 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4S -0.20895 0.21049 -0.02185 0.01403 0.06687 106 4PX -0.00258 0.00093 0.00475 -0.00387 -0.00897 107 4PY 0.00217 -0.00087 -0.00199 0.00176 0.04680 108 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 109 5XX 0.00927 -0.00924 0.00064 -0.00036 0.00253 110 5YY -0.00648 0.00592 0.00070 -0.00038 -0.01404 111 5ZZ 0.00918 -0.00912 0.00054 -0.00022 0.00227 112 5XY 0.00210 -0.00190 0.00043 -0.00048 0.00371 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 7 Br 1S -0.00344 -0.00256 0.03665 0.03671 0.00655 116 2S 0.02239 0.01673 -0.23828 -0.23878 -0.04259 117 3S -0.02608 -0.01966 0.27692 0.27780 0.04935 118 4S -0.04572 -0.03392 0.49050 0.49118 0.09063 119 5S 0.03651 0.03104 -0.43144 -0.43795 -0.07767 120 6S 0.02652 0.00813 -0.18847 -0.17273 -0.07014 121 7PX -0.00108 -0.00072 0.00623 0.00608 -0.01585 122 7PY -0.00116 -0.00093 0.00473 0.00467 -0.01058 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00329 0.00221 -0.01899 -0.01855 0.04858 125 8PY 0.00353 0.00284 -0.01442 -0.01425 0.03243 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX -0.00562 -0.00398 0.03335 0.03314 -0.08515 128 9PY -0.00603 -0.00479 0.02545 0.02518 -0.05669 129 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 10PX -0.00567 -0.00237 0.00171 -0.00198 -0.05390 131 10PY -0.00357 -0.00274 0.00037 -0.00039 -0.03628 132 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 11XX 0.01144 0.00877 -0.12219 -0.12279 -0.02551 134 11YY 0.01144 0.00852 -0.12493 -0.12531 -0.02194 135 11ZZ 0.01252 0.00950 -0.12876 -0.12915 -0.01934 136 11XY -0.00127 -0.00096 0.00604 0.00593 -0.00529 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00607 0.00628 -0.05914 -0.06164 0.00303 140 12YY 0.00500 0.00582 -0.05453 -0.05770 -0.00307 141 12ZZ 0.00313 0.00410 -0.04859 -0.05176 -0.00885 142 12XY 0.00322 0.00236 -0.00999 -0.00946 0.01141 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00344 -0.00256 -0.03660 0.03676 -0.00655 146 2S -0.02238 0.01673 0.23791 -0.23915 0.04259 147 3S 0.02607 -0.01967 -0.27649 0.27823 -0.04935 148 4S 0.04570 -0.03393 -0.48974 0.49193 -0.09063 149 5S -0.03650 0.03105 0.43077 -0.43861 0.07767 150 6S -0.02652 0.00814 0.18821 -0.17302 0.07015 151 7PX -0.00108 0.00072 0.00622 -0.00609 -0.01585 152 7PY -0.00116 0.00093 0.00472 -0.00468 -0.01058 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00329 -0.00221 -0.01896 0.01858 0.04858 155 8PY 0.00353 -0.00285 -0.01440 0.01427 0.03243 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX -0.00562 0.00398 0.03330 -0.03319 -0.08514 158 9PY -0.00602 0.00479 0.02542 -0.02522 -0.05670 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX -0.00567 0.00238 0.00171 0.00198 -0.05390 161 10PY -0.00357 0.00274 0.00037 0.00039 -0.03629 162 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 11XX -0.01143 0.00877 0.12201 -0.12298 0.02551 164 11YY -0.01144 0.00852 0.12473 -0.12550 0.02194 165 11ZZ -0.01252 0.00950 0.12856 -0.12935 0.01934 166 11XY 0.00127 -0.00096 -0.00603 0.00594 0.00529 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX -0.00607 0.00628 0.05904 -0.06173 -0.00303 170 12YY -0.00500 0.00582 0.05444 -0.05778 0.00307 171 12ZZ -0.00313 0.00410 0.04851 -0.05184 0.00885 172 12XY -0.00322 0.00236 0.00998 -0.00948 -0.01141 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 67 68 69 70 O O O O O Eigenvalues -- -0.50285 -0.45695 -0.42799 -0.42518 -0.40690 1 1 Al 1S 0.02320 0.00000 -0.00046 -0.01709 -0.00001 2 2S -0.10822 0.00000 0.00127 0.07956 0.00002 3 2PX 0.04049 0.00000 -0.01917 0.05909 0.00004 4 2PY -0.01339 0.00000 -0.06936 -0.04497 -0.00001 5 2PZ 0.00000 -0.07893 0.00000 0.00001 0.04969 6 3S 0.27658 0.00000 -0.01055 -0.22095 -0.00008 7 3PX -0.10815 0.00000 0.05091 -0.14867 -0.00009 8 3PY 0.03248 0.00000 0.18104 0.11780 0.00004 9 3PZ 0.00000 0.19324 0.00000 -0.00001 -0.11888 10 4S -0.00728 0.00000 0.00347 -0.01016 0.00002 11 4PX -0.00246 0.00000 0.01897 -0.00478 -0.00001 12 4PY -0.00189 0.00000 0.03250 -0.00697 -0.00001 13 4PZ 0.00000 0.00614 0.00000 0.00000 0.02576 14 5XX 0.02138 0.00000 -0.00544 0.03605 0.00001 15 5YY -0.00969 0.00000 0.00010 -0.02931 -0.00002 16 5ZZ -0.02617 0.00000 0.00812 0.02440 0.00002 17 5XY -0.02050 0.00000 -0.01334 -0.01953 0.00000 18 5XZ 0.00000 -0.04634 0.00000 0.00000 0.04432 19 5YZ 0.00000 0.01639 0.00000 0.00000 -0.01591 20 2 Al 1S 0.02320 0.00000 0.00045 -0.01709 0.00001 21 2S -0.10822 0.00001 -0.00123 0.07956 -0.00003 22 2PX -0.04050 0.00000 -0.01920 -0.05908 0.00004 23 2PY 0.01339 0.00000 -0.06934 0.04500 -0.00002 24 2PZ 0.00000 0.07893 0.00000 0.00000 0.04969 25 3S 0.27658 -0.00003 0.01044 -0.22094 0.00009 26 3PX 0.10815 0.00000 0.05096 0.14865 -0.00010 27 3PY -0.03248 0.00000 0.18098 -0.11788 0.00005 28 3PZ 0.00000 -0.19324 -0.00001 0.00001 -0.11888 29 4S -0.00727 0.00000 -0.00347 -0.01016 -0.00002 30 4PX 0.00246 0.00000 0.01897 0.00477 -0.00001 31 4PY 0.00189 0.00000 0.03250 0.00696 -0.00001 32 4PZ 0.00000 -0.00614 0.00000 0.00000 0.02576 33 5XX 0.02138 0.00000 0.00546 0.03606 -0.00001 34 5YY -0.00969 0.00000 -0.00012 -0.02931 0.00002 35 5ZZ -0.02617 0.00000 -0.00811 0.02440 -0.00002 36 5XY -0.02050 0.00000 0.01333 -0.01953 0.00000 37 5XZ 0.00000 -0.04634 0.00000 0.00000 -0.04431 38 5YZ 0.00000 0.01639 0.00000 0.00000 0.01592 39 3 Cl 1S -0.01844 0.00000 0.00000 -0.00033 -0.00691 40 2S 0.08214 0.00000 0.00000 0.00349 0.03034 41 2PX 0.00000 0.16815 -0.07250 0.00001 -0.00002 42 2PY 0.00001 -0.06816 -0.13299 0.00004 0.00008 43 2PZ -0.14995 -0.00001 -0.00003 -0.07644 -0.20268 44 3S -0.18810 0.00000 0.00000 0.00080 -0.07543 45 3PX 0.00001 -0.42879 0.18571 -0.00003 0.00006 46 3PY -0.00002 0.17378 0.34038 -0.00009 -0.00020 47 3PZ 0.37622 0.00002 0.00008 0.19586 0.52143 48 4S -0.11464 0.00001 -0.00001 -0.03245 -0.02898 49 4PX 0.00000 -0.16927 0.08458 -0.00002 0.00002 50 4PY -0.00001 0.06899 0.15803 -0.00004 -0.00010 51 4PZ 0.14625 0.00001 0.00003 0.07655 0.24563 52 5XX -0.00283 0.00000 0.00000 -0.00572 0.00221 53 5YY -0.00720 0.00000 0.00000 -0.00225 -0.00558 54 5ZZ 0.02520 0.00000 0.00001 0.01417 0.01428 55 5XY -0.00244 0.00000 0.00000 0.00342 -0.00447 56 5XZ 0.00000 -0.02134 0.00836 0.00000 0.00000 57 5YZ 0.00000 0.00863 0.01532 0.00000 -0.00001 58 4 Cl 1S -0.01844 0.00000 0.00000 -0.00032 0.00691 59 2S 0.08214 0.00000 0.00000 0.00349 -0.03034 60 2PX 0.00001 -0.16815 -0.07250 0.00002 -0.00006 61 2PY 0.00000 0.06817 -0.13297 0.00004 0.00000 62 2PZ 0.14994 0.00001 0.00003 0.07642 -0.20269 63 3S -0.18809 0.00000 0.00000 0.00080 0.07544 64 3PX -0.00002 0.42881 0.18570 -0.00006 0.00014 65 3PY -0.00001 -0.17379 0.34033 -0.00009 0.00000 66 3PZ -0.37620 -0.00001 -0.00007 -0.19583 0.52145 67 4S -0.11464 0.00001 -0.00001 -0.03245 0.02899 68 4PX -0.00001 0.16928 0.08457 -0.00002 0.00006 69 4PY -0.00001 -0.06900 0.15800 -0.00004 0.00001 70 4PZ -0.14624 -0.00001 -0.00003 -0.07653 0.24564 71 5XX -0.00283 0.00000 0.00000 -0.00572 -0.00221 72 5YY -0.00720 0.00000 0.00000 -0.00225 0.00558 73 5ZZ 0.02520 0.00000 0.00000 0.01416 -0.01428 74 5XY -0.00244 0.00000 0.00000 0.00342 0.00447 75 5XZ 0.00000 -0.02134 -0.00836 0.00000 -0.00001 76 5YZ 0.00000 0.00863 -0.01532 0.00000 0.00000 77 5 Cl 1S -0.00705 0.00000 0.00679 0.01042 0.00000 78 2S 0.03150 0.00000 -0.03208 -0.04802 -0.00002 79 2PX 0.01094 0.00000 -0.03441 0.00654 0.00002 80 2PY -0.04093 -0.00001 0.07547 0.13771 0.00006 81 2PZ 0.00000 -0.02938 0.00000 0.00000 0.01980 82 3S -0.07078 -0.00001 0.06510 0.10297 0.00003 83 3PX -0.02751 0.00000 0.08661 -0.01680 -0.00004 84 3PY 0.10157 0.00001 -0.18890 -0.34562 -0.00016 85 3PZ 0.00000 0.07358 0.00001 0.00001 -0.04958 86 4S -0.03865 0.00000 0.09079 0.10083 0.00003 87 4PX -0.00591 0.00000 0.03444 -0.00785 -0.00002 88 4PY 0.03626 0.00000 -0.05693 -0.12140 -0.00006 89 4PZ 0.00000 0.02887 0.00000 0.00000 -0.02622 90 5XX -0.00136 0.00000 0.00000 0.00562 0.00000 91 5YY 0.00980 0.00000 -0.01151 -0.02212 -0.00001 92 5ZZ -0.00281 0.00000 0.00170 0.00489 0.00000 93 5XY -0.00341 0.00000 0.00649 -0.00074 0.00000 94 5XZ 0.00000 -0.00178 0.00000 0.00000 0.00118 95 5YZ 0.00000 0.00675 0.00000 0.00000 -0.00373 96 6 Cl 1S -0.00705 0.00000 -0.00678 0.01043 0.00000 97 2S 0.03150 0.00000 0.03206 -0.04804 0.00002 98 2PX -0.01095 0.00000 -0.03442 -0.00650 0.00002 99 2PY 0.04093 -0.00001 0.07540 -0.13775 0.00007 100 2PZ 0.00000 0.02938 0.00000 0.00000 0.01978 101 3S -0.07078 0.00001 -0.06505 0.10300 -0.00004 102 3PX 0.02752 0.00000 0.08664 0.01671 -0.00004 103 3PY -0.10156 0.00001 -0.18872 0.34572 -0.00018 104 3PZ 0.00000 -0.07358 0.00000 -0.00001 -0.04954 105 4S -0.03864 0.00001 -0.09074 0.10088 -0.00003 106 4PX 0.00591 0.00000 0.03444 0.00781 -0.00002 107 4PY -0.03626 0.00000 -0.05686 0.12143 -0.00007 108 4PZ 0.00000 -0.02887 0.00000 0.00000 -0.02621 109 5XX -0.00136 0.00000 0.00001 0.00562 0.00000 110 5YY 0.00980 0.00000 0.01149 -0.02213 0.00001 111 5ZZ -0.00281 0.00000 -0.00170 0.00489 0.00000 112 5XY -0.00341 0.00000 -0.00649 -0.00073 0.00000 113 5XZ 0.00000 -0.00178 0.00000 0.00000 -0.00118 114 5YZ 0.00000 0.00675 0.00000 0.00000 0.00373 115 7 Br 1S 0.00427 0.00000 0.00371 -0.00479 0.00000 116 2S -0.02782 0.00000 -0.02389 0.03106 0.00002 117 3S 0.03234 0.00000 0.02715 -0.03583 -0.00002 118 4S 0.05903 0.00000 0.05214 -0.06683 -0.00003 119 5S -0.05662 0.00000 -0.01556 0.04337 0.00002 120 6S -0.02801 0.00000 -0.13230 0.09830 0.00005 121 7PX -0.01139 0.00000 -0.02144 0.01940 0.00001 122 7PY -0.00665 0.00000 -0.00576 0.02429 0.00001 123 7PZ 0.00000 0.00855 0.00000 0.00000 -0.00479 124 8PX 0.03490 0.00000 0.06586 -0.05957 -0.00004 125 8PY 0.02036 0.00000 0.01771 -0.07461 -0.00004 126 8PZ 0.00000 -0.02624 0.00000 0.00000 0.01470 127 9PX -0.06121 -0.00001 -0.11788 0.10605 0.00007 128 9PY -0.03512 0.00000 -0.03193 0.13313 0.00008 129 9PZ 0.00000 0.04667 -0.00001 0.00000 -0.02566 130 10PX -0.04112 0.00000 -0.06204 0.06505 0.00004 131 10PY -0.02852 0.00000 -0.00711 0.08224 0.00005 132 10PZ 0.00000 0.02903 0.00000 0.00000 -0.02196 133 11XX -0.01751 0.00000 -0.01627 0.01688 0.00001 134 11YY -0.01426 0.00000 -0.01003 0.01875 0.00001 135 11ZZ -0.01201 0.00000 -0.01015 0.01262 0.00001 136 11XY -0.00356 0.00000 -0.00247 0.00656 0.00000 137 11XZ 0.00000 0.00314 0.00000 0.00000 -0.00158 138 11YZ 0.00000 0.00183 0.00000 0.00000 -0.00088 139 12XX 0.00143 0.00000 0.01702 -0.00484 0.00000 140 12YY -0.00411 0.00000 0.00680 -0.00822 0.00000 141 12ZZ -0.01037 0.00000 0.00840 0.00187 0.00000 142 12XY 0.00835 0.00000 0.00186 -0.01126 -0.00001 143 12XZ 0.00000 -0.00547 0.00000 0.00000 0.00339 144 12YZ 0.00000 -0.00282 0.00000 0.00000 0.00205 145 8 Br 1S 0.00427 0.00000 -0.00371 -0.00479 0.00000 146 2S -0.02782 0.00000 0.02391 0.03105 -0.00002 147 3S 0.03234 0.00000 -0.02717 -0.03582 0.00002 148 4S 0.05903 0.00000 -0.05217 -0.06679 0.00003 149 5S -0.05662 0.00000 0.01559 0.04336 -0.00002 150 6S -0.02802 0.00000 0.13235 0.09823 -0.00005 151 7PX 0.01138 0.00000 -0.02145 -0.01938 0.00001 152 7PY 0.00665 0.00000 -0.00578 -0.02429 0.00002 153 7PZ 0.00000 -0.00855 0.00000 0.00000 -0.00479 154 8PX -0.03490 0.00000 0.06589 0.05952 -0.00004 155 8PY -0.02036 0.00000 0.01775 0.07460 -0.00005 156 8PZ 0.00000 0.02624 0.00000 0.00000 0.01471 157 9PX 0.06121 0.00000 -0.11793 -0.10596 0.00007 158 9PY 0.03512 -0.00001 -0.03201 -0.13312 0.00009 159 9PZ 0.00000 -0.04667 0.00000 0.00000 -0.02568 160 10PX 0.04112 0.00000 -0.06207 -0.06500 0.00004 161 10PY 0.02853 0.00000 -0.00716 -0.08224 0.00005 162 10PZ 0.00000 -0.02903 0.00000 0.00000 -0.02198 163 11XX -0.01751 0.00000 0.01628 0.01687 -0.00001 164 11YY -0.01426 0.00000 0.01004 0.01874 -0.00001 165 11ZZ -0.01201 0.00000 0.01016 0.01261 -0.00001 166 11XY -0.00356 0.00000 0.00248 0.00655 0.00000 167 11XZ 0.00000 0.00314 0.00000 0.00000 0.00158 168 11YZ 0.00000 0.00183 0.00000 0.00000 0.00088 169 12XX 0.00142 0.00000 -0.01702 -0.00482 0.00000 170 12YY -0.00411 0.00000 -0.00680 -0.00822 0.00001 171 12ZZ -0.01037 0.00000 -0.00840 0.00187 0.00000 172 12XY 0.00835 0.00000 -0.00187 -0.01126 0.00001 173 12XZ 0.00000 -0.00547 0.00000 0.00000 -0.00340 174 12YZ 0.00000 -0.00282 0.00000 0.00000 -0.00205 71 72 73 74 75 O O O O O Eigenvalues -- -0.40372 -0.39507 -0.38834 -0.36981 -0.35122 1 1 Al 1S 0.01044 0.00000 -0.00471 -0.00334 0.00000 2 2S -0.04584 0.00000 0.02291 0.01556 0.00000 3 2PX -0.06339 0.00001 0.04870 0.03768 0.00000 4 2PY 0.03076 0.00002 0.07719 0.04908 0.00000 5 2PZ 0.00002 0.00002 0.00000 0.00000 -0.03105 6 3S 0.15051 -0.00001 -0.05695 -0.04445 0.00000 7 3PX 0.15679 -0.00002 -0.12313 -0.09288 0.00000 8 3PY -0.07795 -0.00005 -0.19952 -0.12385 0.00000 9 3PZ -0.00006 -0.00040 0.00000 0.00000 0.08180 10 4S -0.03866 0.00000 -0.00443 0.01629 0.00000 11 4PX 0.02060 0.00000 -0.00203 0.00238 0.00000 12 4PY 0.00894 0.00000 0.01675 0.04184 0.00000 13 4PZ 0.00001 -0.00145 0.00000 0.00000 0.05453 14 5XX -0.01077 0.00000 -0.02141 -0.03810 0.00000 15 5YY 0.04052 0.00000 0.02467 0.03543 0.00000 16 5ZZ -0.05208 0.00000 0.00358 0.00847 0.00000 17 5XY 0.00284 0.00000 -0.02765 -0.04328 0.00000 18 5XZ 0.00002 0.01317 0.00000 0.00000 0.01660 19 5YZ -0.00001 0.04042 -0.00001 0.00000 -0.03625 20 2 Al 1S -0.01044 0.00000 -0.00471 0.00334 0.00000 21 2S 0.04584 0.00001 0.02291 -0.01556 0.00000 22 2PX -0.06340 -0.00002 -0.04868 0.03769 0.00000 23 2PY 0.03075 -0.00002 -0.07720 0.04909 0.00000 24 2PZ 0.00002 -0.00003 0.00000 0.00000 -0.03105 25 3S -0.15052 -0.00002 -0.05694 0.04445 0.00000 26 3PX 0.15681 0.00004 0.12308 -0.09288 -0.00001 27 3PY -0.07791 0.00006 0.19953 -0.12387 0.00000 28 3PZ -0.00005 0.00043 0.00000 0.00000 0.08179 29 4S 0.03865 0.00000 -0.00444 -0.01629 -0.00001 30 4PX 0.02060 0.00000 0.00203 0.00237 -0.00001 31 4PY 0.00894 0.00000 -0.01675 0.04184 0.00000 32 4PZ 0.00001 0.00144 0.00000 0.00000 0.05452 33 5XX 0.01077 0.00000 -0.02141 0.03809 0.00000 34 5YY -0.04052 0.00000 0.02467 -0.03542 0.00000 35 5ZZ 0.05208 0.00000 0.00358 -0.00848 0.00000 36 5XY -0.00284 -0.00001 -0.02765 0.04329 0.00000 37 5XZ -0.00002 0.01318 0.00000 0.00000 -0.01660 38 5YZ 0.00001 0.04042 -0.00001 0.00000 0.03625 39 3 Cl 1S 0.00000 0.00000 0.00055 0.00000 0.00323 40 2S 0.00001 0.00000 -0.00181 0.00000 -0.01520 41 2PX 0.08635 0.07700 -0.00003 -0.05807 0.00000 42 2PY -0.07676 0.17878 -0.00004 -0.09518 0.00000 43 2PZ -0.00011 0.00004 -0.00996 0.00000 -0.03190 44 3S -0.00004 0.00001 0.00730 0.00000 0.03143 45 3PX -0.22242 -0.19720 0.00007 0.15049 -0.00001 46 3PY 0.19768 -0.45773 0.00011 0.24628 -0.00001 47 3PZ 0.00029 -0.00011 0.02568 0.00000 0.08448 48 4S -0.00001 0.00000 -0.00881 0.00000 0.06255 49 4PX -0.09338 -0.10712 0.00004 0.07215 -0.00001 50 4PY 0.09010 -0.24877 0.00006 0.12968 -0.00001 51 4PZ 0.00014 -0.00005 0.00842 0.00000 0.04726 52 5XX 0.00000 0.00000 -0.00615 0.00000 -0.00388 53 5YY 0.00000 0.00000 0.00491 0.00000 -0.00440 54 5ZZ 0.00001 0.00000 0.00230 0.00000 0.00480 55 5XY 0.00000 0.00000 -0.00470 0.00000 0.00437 56 5XZ -0.00816 -0.00527 0.00000 0.00315 0.00000 57 5YZ 0.00707 -0.01179 0.00000 0.00468 0.00000 58 4 Cl 1S 0.00000 0.00000 0.00055 0.00000 -0.00323 59 2S -0.00001 0.00000 -0.00181 0.00000 0.01520 60 2PX 0.08636 -0.07700 0.00001 -0.05808 0.00000 61 2PY -0.07675 -0.17879 0.00004 -0.09519 -0.00001 62 2PZ -0.00011 0.00005 0.00996 0.00000 -0.03190 63 3S 0.00004 -0.00001 0.00730 0.00000 -0.03143 64 3PX -0.22245 0.19720 -0.00003 0.15050 0.00000 65 3PY 0.19765 0.45776 -0.00011 0.24630 0.00002 66 3PZ 0.00028 -0.00013 -0.02568 -0.00001 0.08448 67 4S 0.00001 0.00000 -0.00881 0.00000 -0.06255 68 4PX -0.09339 0.10712 -0.00002 0.07215 0.00000 69 4PY 0.09008 0.24878 -0.00006 0.12970 0.00001 70 4PZ 0.00013 -0.00006 -0.00842 -0.00001 0.04726 71 5XX 0.00000 0.00000 -0.00615 0.00000 0.00388 72 5YY 0.00000 0.00000 0.00491 0.00000 0.00440 73 5ZZ -0.00001 0.00000 0.00230 0.00000 -0.00480 74 5XY 0.00000 0.00000 -0.00470 0.00000 -0.00437 75 5XZ 0.00817 -0.00527 0.00000 -0.00315 0.00000 76 5YZ -0.00707 -0.01179 0.00000 -0.00468 0.00000 77 5 Cl 1S -0.00633 0.00000 -0.00460 -0.00225 0.00000 78 2S 0.02899 0.00000 0.02180 0.01082 0.00000 79 2PX -0.03217 0.00001 0.04866 0.02068 0.00000 80 2PY -0.12210 -0.00002 -0.10248 -0.09315 -0.00001 81 2PZ 0.00001 0.03849 -0.00001 0.00001 -0.18709 82 3S -0.06314 -0.00001 -0.04443 -0.02140 0.00000 83 3PX 0.08178 -0.00002 -0.12344 -0.05243 -0.00001 84 3PY 0.30762 0.00005 0.25910 0.23673 0.00002 85 3PZ -0.00004 -0.09656 0.00002 -0.00001 0.47743 86 4S -0.05642 -0.00001 -0.05943 -0.02641 0.00000 87 4PX 0.03704 -0.00001 -0.05469 -0.02342 0.00000 88 4PY 0.12038 0.00002 0.09413 0.09489 0.00001 89 4PZ -0.00002 -0.05493 0.00001 -0.00001 0.25040 90 5XX -0.00557 0.00000 -0.00219 -0.00367 0.00000 91 5YY 0.01755 0.00000 0.01192 0.00987 0.00000 92 5ZZ -0.00556 0.00000 -0.00300 -0.00288 0.00000 93 5XY 0.00465 0.00000 -0.00780 -0.00366 0.00000 94 5XZ 0.00000 0.00236 0.00000 0.00000 -0.00154 95 5YZ 0.00000 -0.00526 0.00000 0.00000 0.01635 96 6 Cl 1S 0.00633 0.00000 -0.00460 0.00225 0.00000 97 2S -0.02899 0.00001 0.02180 -0.01082 0.00000 98 2PX -0.03216 -0.00002 -0.04866 0.02070 0.00001 99 2PY -0.12210 0.00002 0.10247 -0.09315 0.00000 100 2PZ 0.00001 -0.03849 0.00001 0.00000 -0.18709 101 3S 0.06314 -0.00001 -0.04443 0.02140 0.00000 102 3PX 0.08176 0.00004 0.12345 -0.05249 -0.00003 103 3PY 0.30762 -0.00006 -0.25910 0.23673 0.00001 104 3PZ -0.00004 0.09656 -0.00002 0.00000 0.47742 105 4S 0.05642 -0.00002 -0.05943 0.02641 0.00000 106 4PX 0.03703 0.00002 0.05470 -0.02345 -0.00001 107 4PY 0.12039 -0.00002 -0.09413 0.09489 0.00001 108 4PZ -0.00002 0.05494 -0.00001 0.00000 0.25039 109 5XX 0.00557 0.00000 -0.00219 0.00366 0.00000 110 5YY -0.01755 0.00000 0.01192 -0.00987 0.00000 111 5ZZ 0.00556 0.00000 -0.00300 0.00288 0.00000 112 5XY -0.00464 0.00000 -0.00780 0.00367 0.00000 113 5XZ 0.00000 0.00237 0.00000 0.00000 0.00154 114 5YZ 0.00000 -0.00526 0.00000 0.00000 -0.01635 115 7 Br 1S 0.00381 0.00000 -0.00560 -0.00347 0.00000 116 2S -0.02478 0.00001 0.03644 0.02266 0.00000 117 3S 0.02867 -0.00001 -0.04222 -0.02654 0.00000 118 4S 0.05331 -0.00002 -0.07844 -0.04837 0.00000 119 5S -0.03281 0.00001 0.04301 0.03251 0.00000 120 6S -0.08528 0.00003 0.14064 0.06709 0.00000 121 7PX -0.01957 0.00001 0.04687 0.03703 0.00000 122 7PY -0.02594 0.00001 0.03324 0.03799 0.00000 123 7PZ 0.00000 0.00958 0.00000 0.00000 0.01610 124 8PX 0.06013 -0.00003 -0.14411 -0.11388 0.00000 125 8PY 0.07973 -0.00002 -0.10219 -0.11685 0.00000 126 8PZ 0.00001 -0.02941 0.00000 0.00000 -0.04958 127 9PX -0.10725 0.00005 0.25878 0.20472 0.00000 128 9PY -0.14276 0.00003 0.18402 0.21106 0.00000 129 9PZ -0.00002 0.05141 -0.00001 0.00001 0.09098 130 10PX -0.06836 0.00003 0.16486 0.13963 0.00000 131 10PY -0.09202 0.00002 0.11255 0.14379 0.00000 132 10PZ -0.00002 0.04705 -0.00001 0.00001 0.06132 133 11XX -0.01359 0.00000 0.02411 0.01471 0.00000 134 11YY -0.01582 0.00000 0.01881 0.01341 0.00000 135 11ZZ -0.00920 0.00000 0.01393 0.00764 0.00000 136 11XY -0.00576 0.00000 0.00846 0.00775 0.00000 137 11XZ 0.00000 0.00259 0.00000 0.00000 0.00177 138 11YZ 0.00000 0.00058 0.00000 0.00000 0.00202 139 12XX 0.00440 0.00000 -0.01542 -0.00548 0.00000 140 12YY 0.00899 0.00000 -0.00569 -0.00375 0.00000 141 12ZZ -0.00292 0.00000 0.00017 0.00542 0.00000 142 12XY 0.00928 0.00000 -0.01214 -0.01247 0.00000 143 12XZ 0.00000 -0.00670 0.00000 0.00000 -0.00408 144 12YZ 0.00000 -0.00070 0.00000 0.00000 -0.00514 145 8 Br 1S -0.00381 0.00000 -0.00560 0.00347 0.00000 146 2S 0.02478 0.00001 0.03643 -0.02267 0.00000 147 3S -0.02867 -0.00001 -0.04221 0.02655 0.00000 148 4S -0.05332 -0.00003 -0.07844 0.04838 0.00000 149 5S 0.03282 0.00001 0.04301 -0.03251 0.00000 150 6S 0.08529 0.00005 0.14063 -0.06710 0.00000 151 7PX -0.01957 -0.00001 -0.04686 0.03703 0.00000 152 7PY -0.02595 -0.00001 -0.03324 0.03799 0.00000 153 7PZ 0.00000 -0.00958 0.00000 0.00000 0.01609 154 8PX 0.06014 0.00004 0.14408 -0.11388 0.00000 155 8PY 0.07975 0.00003 0.10219 -0.11688 0.00000 156 8PZ 0.00001 0.02941 0.00000 0.00000 -0.04957 157 9PX -0.10726 -0.00008 -0.25873 0.20472 -0.00001 158 9PY -0.14279 -0.00005 -0.18403 0.21111 0.00000 159 9PZ -0.00002 -0.05141 0.00001 0.00001 0.09097 160 10PX -0.06836 -0.00005 -0.16483 0.13963 0.00000 161 10PY -0.09203 -0.00003 -0.11255 0.14382 0.00000 162 10PZ -0.00001 -0.04705 0.00001 0.00000 0.06130 163 11XX 0.01360 0.00001 0.02411 -0.01471 0.00000 164 11YY 0.01582 0.00001 0.01881 -0.01341 0.00000 165 11ZZ 0.00920 0.00000 0.01393 -0.00764 0.00000 166 11XY 0.00576 0.00000 0.00846 -0.00776 0.00000 167 11XZ 0.00000 0.00259 0.00000 0.00000 -0.00177 168 11YZ 0.00000 0.00058 0.00000 0.00000 -0.00202 169 12XX -0.00440 -0.00001 -0.01541 0.00548 0.00000 170 12YY -0.00899 0.00000 -0.00570 0.00375 0.00000 171 12ZZ 0.00292 0.00000 0.00017 -0.00543 0.00000 172 12XY -0.00928 0.00000 -0.01214 0.01247 0.00000 173 12XZ 0.00000 -0.00670 0.00000 0.00000 0.00408 174 12YZ 0.00000 -0.00070 0.00000 0.00000 0.00514 76 77 78 79 80 O O O O O Eigenvalues -- -0.34810 -0.34451 -0.34236 -0.32551 -0.31977 1 1 Al 1S -0.00187 -0.00231 0.00000 0.00000 -0.00006 2 2S 0.01160 0.01340 0.00000 0.00000 -0.00111 3 2PX -0.00679 -0.00672 0.00000 0.00000 0.00569 4 2PY 0.00996 0.00832 0.00000 0.00000 -0.00656 5 2PZ 0.00000 0.00000 0.01356 -0.02007 -0.00005 6 3S -0.01158 -0.01690 0.00000 0.00000 -0.00719 7 3PX 0.01246 0.02018 0.00000 0.00000 -0.00924 8 3PY -0.02208 -0.02135 0.00000 0.00000 0.01737 9 3PZ 0.00000 0.00000 -0.03585 0.05190 0.00012 10 4S -0.02280 -0.08691 0.00000 0.00001 0.01144 11 4PX 0.07190 0.10948 0.00000 0.00000 -0.02250 12 4PY -0.00787 -0.02652 0.00000 0.00000 0.04824 13 4PZ 0.00000 0.00000 -0.04915 0.04139 0.00020 14 5XX 0.02024 0.00988 0.00000 0.00000 -0.03333 15 5YY -0.02015 -0.02913 0.00000 0.00000 0.03385 16 5ZZ 0.00293 0.01831 0.00000 0.00000 -0.00118 17 5XY -0.05260 -0.04386 0.00000 0.00000 -0.00891 18 5XZ 0.00000 0.00000 -0.02347 0.02926 0.00013 19 5YZ 0.00000 0.00000 0.03118 0.03126 0.00007 20 2 Al 1S -0.00187 0.00231 0.00000 0.00000 -0.00006 21 2S 0.01160 -0.01340 0.00000 0.00000 -0.00111 22 2PX 0.00679 -0.00672 0.00000 0.00000 -0.00569 23 2PY -0.00996 0.00832 0.00000 0.00000 0.00655 24 2PZ 0.00000 0.00000 -0.01356 -0.02007 0.00005 25 3S -0.01157 0.01691 0.00000 0.00000 -0.00718 26 3PX -0.01246 0.02018 0.00000 0.00000 0.00924 27 3PY 0.02207 -0.02136 0.00000 0.00000 -0.01735 28 3PZ 0.00000 0.00000 0.03586 0.05189 -0.00012 29 4S -0.02279 0.08692 0.00000 -0.00001 0.01139 30 4PX -0.07187 0.10950 0.00001 0.00000 0.02247 31 4PY 0.00786 -0.02651 0.00000 0.00000 -0.04820 32 4PZ 0.00000 0.00000 0.04915 0.04137 -0.00020 33 5XX 0.02025 -0.00989 0.00000 0.00000 -0.03332 34 5YY -0.02016 0.02915 0.00000 0.00000 0.03383 35 5ZZ 0.00292 -0.01831 0.00000 0.00000 -0.00118 36 5XY -0.05259 0.04386 0.00000 0.00000 -0.00892 37 5XZ 0.00000 0.00000 -0.02348 -0.02924 0.00013 38 5YZ 0.00000 0.00000 0.03117 -0.03125 0.00007 39 3 Cl 1S 0.00206 0.00000 0.00000 0.00222 -0.00091 40 2S -0.00998 0.00000 0.00000 -0.01034 0.00453 41 2PX 0.00000 -0.03374 0.03241 -0.00001 -0.00019 42 2PY 0.00001 0.03790 -0.05939 0.00000 -0.00011 43 2PZ -0.03193 0.00000 0.00000 -0.01274 0.01054 44 3S 0.01923 0.00000 0.00000 0.02205 -0.00834 45 3PX 0.00000 0.08746 -0.08414 0.00001 0.00050 46 3PY -0.00002 -0.09805 0.15499 0.00000 0.00029 47 3PZ 0.08358 -0.00001 0.00001 0.03427 -0.02791 48 4S 0.05971 0.00000 0.00001 0.04273 -0.03148 49 4PX 0.00000 0.06019 -0.05655 0.00001 0.00029 50 4PY -0.00001 -0.06115 0.08202 0.00000 0.00010 51 4PZ 0.05646 -0.00001 0.00001 0.02005 -0.02152 52 5XX -0.00197 0.00000 0.00000 -0.00737 0.00330 53 5YY -0.00499 0.00000 0.00000 0.00220 -0.00066 54 5ZZ 0.00449 0.00000 0.00000 0.00267 -0.00130 55 5XY -0.00025 0.00000 0.00000 -0.00271 0.00392 56 5XZ 0.00000 0.00046 -0.00327 0.00000 0.00001 57 5YZ 0.00000 -0.00051 0.00263 0.00000 0.00000 58 4 Cl 1S 0.00206 0.00000 0.00000 -0.00222 -0.00091 59 2S -0.00998 0.00000 0.00000 0.01034 0.00452 60 2PX 0.00000 -0.03374 -0.03242 0.00001 0.00021 61 2PY 0.00001 0.03790 0.05939 0.00000 0.00013 62 2PZ 0.03193 0.00000 0.00000 -0.01274 -0.01054 63 3S 0.01923 0.00000 0.00000 -0.02205 -0.00834 64 3PX 0.00001 0.08746 0.08415 -0.00002 -0.00055 65 3PY -0.00002 -0.09805 -0.15500 0.00000 -0.00035 66 3PZ -0.08358 0.00001 0.00001 0.03427 0.02791 67 4S 0.05971 -0.00001 0.00000 -0.04273 -0.03148 68 4PX 0.00000 0.06019 0.05656 -0.00001 -0.00032 69 4PY -0.00001 -0.06115 -0.08202 0.00000 -0.00013 70 4PZ -0.05647 0.00001 0.00000 0.02005 0.02152 71 5XX -0.00197 0.00000 0.00000 0.00737 0.00330 72 5YY -0.00499 0.00000 0.00000 -0.00220 -0.00066 73 5ZZ 0.00449 0.00000 0.00000 -0.00267 -0.00130 74 5XY -0.00025 0.00000 0.00000 0.00271 0.00391 75 5XZ 0.00000 -0.00046 -0.00327 0.00000 0.00001 76 5YZ 0.00000 0.00051 0.00263 0.00000 0.00000 77 5 Cl 1S 0.00010 -0.00004 0.00000 0.00000 0.00045 78 2S -0.00040 -0.00012 0.00000 0.00000 -0.00221 79 2PX -0.17737 -0.17836 -0.00001 0.00000 -0.06875 80 2PY -0.01689 -0.00100 0.00000 0.00000 -0.03358 81 2PZ 0.00001 -0.00001 0.18813 0.05171 0.00015 82 3S 0.00093 -0.00124 0.00000 0.00000 0.00450 83 3PX 0.45370 0.45713 0.00001 0.00000 0.17620 84 3PY 0.04324 0.00253 -0.00001 0.00000 0.08635 85 3PZ -0.00001 0.00003 -0.48106 -0.13108 -0.00039 86 4S -0.00254 0.00048 0.00000 0.00000 0.01971 87 4PX 0.23326 0.23019 0.00001 0.00000 0.10152 88 4PY 0.02268 0.00507 -0.00001 0.00000 0.04348 89 4PZ -0.00001 0.00002 -0.25516 -0.08621 -0.00026 90 5XX -0.00286 -0.00227 0.00000 0.00000 -0.00262 91 5YY 0.00311 0.00103 0.00000 0.00000 0.00127 92 5ZZ 0.00021 0.00106 0.00000 0.00000 -0.00062 93 5XY 0.01423 0.01371 0.00000 0.00000 0.00266 94 5XZ 0.00000 0.00000 0.00064 0.00115 0.00000 95 5YZ 0.00000 0.00000 -0.01413 -0.00233 -0.00001 96 6 Cl 1S 0.00010 0.00004 0.00000 0.00000 0.00045 97 2S -0.00040 0.00012 0.00000 0.00000 -0.00221 98 2PX 0.17733 -0.17840 0.00000 0.00000 0.06869 99 2PY 0.01691 -0.00102 0.00000 0.00000 0.03357 100 2PZ 0.00000 0.00000 -0.18813 0.05171 -0.00015 101 3S 0.00093 0.00124 0.00000 0.00000 0.00450 102 3PX -0.45359 0.45723 0.00001 0.00001 -0.17607 103 3PY -0.04329 0.00260 0.00001 0.00000 -0.08633 104 3PZ -0.00001 0.00000 0.48108 -0.13106 0.00038 105 4S -0.00254 -0.00048 0.00000 0.00000 0.01970 106 4PX -0.23321 0.23024 0.00001 0.00001 -0.10144 107 4PY -0.02271 0.00510 0.00001 0.00000 -0.04347 108 4PZ 0.00000 0.00000 0.25517 -0.08620 0.00026 109 5XX -0.00287 0.00228 0.00000 0.00000 -0.00262 110 5YY 0.00311 -0.00103 0.00000 0.00000 0.00127 111 5ZZ 0.00021 -0.00106 0.00000 0.00000 -0.00062 112 5XY 0.01423 -0.01372 0.00000 0.00000 0.00266 113 5XZ 0.00000 0.00000 0.00064 -0.00115 0.00000 114 5YZ 0.00000 0.00000 -0.01413 0.00233 -0.00001 115 7 Br 1S -0.00060 -0.00044 0.00000 0.00000 0.00007 116 2S 0.00428 0.00320 0.00000 0.00000 -0.00037 117 3S -0.00573 -0.00443 0.00000 0.00000 0.00020 118 4S -0.00790 -0.00566 0.00000 0.00000 0.00121 119 5S 0.01675 0.01380 0.00000 0.00000 0.00353 120 6S -0.02656 -0.02582 0.00001 0.00000 -0.01700 121 7PX 0.02833 0.02800 0.00000 0.00000 -0.03962 122 7PY -0.00841 -0.00656 0.00000 0.00000 0.05950 123 7PZ 0.00000 0.00000 -0.01198 0.07299 0.00032 124 8PX -0.08720 -0.08619 0.00000 0.00001 0.12208 125 8PY 0.02591 0.02024 0.00000 0.00000 -0.18330 126 8PZ 0.00000 -0.00001 0.03691 -0.22482 -0.00100 127 9PX 0.15809 0.15698 0.00000 -0.00002 -0.22136 128 9PY -0.04740 -0.03782 0.00000 0.00001 0.33238 129 9PZ 0.00000 0.00001 -0.06789 0.40581 0.00181 130 10PX 0.11820 0.11360 0.00000 -0.00002 -0.18352 131 10PY -0.03641 -0.02466 0.00000 0.00001 0.27647 132 10PZ 0.00000 0.00001 -0.04587 0.34304 0.00153 133 11XX 0.00647 0.00574 0.00000 0.00000 -0.00501 134 11YY -0.00032 -0.00056 0.00000 0.00000 0.00492 135 11ZZ 0.00178 0.00099 0.00000 0.00000 -0.00012 136 11XY 0.00126 0.00152 0.00000 0.00000 0.00224 137 11XZ 0.00000 0.00000 -0.00104 0.00578 0.00002 138 11YZ 0.00000 0.00000 -0.00135 0.00440 0.00002 139 12XX -0.00102 -0.00111 0.00000 0.00000 0.02000 140 12YY 0.01428 0.01236 0.00000 0.00000 -0.01439 141 12ZZ 0.00671 0.00697 0.00000 0.00000 0.00193 142 12XY -0.00020 -0.00084 0.00000 0.00000 -0.00660 143 12XZ 0.00000 0.00000 0.00254 -0.01896 -0.00007 144 12YZ 0.00000 0.00000 0.00343 -0.01437 -0.00006 145 8 Br 1S -0.00060 0.00044 0.00000 0.00000 0.00007 146 2S 0.00428 -0.00320 0.00000 0.00000 -0.00037 147 3S -0.00573 0.00443 0.00000 0.00000 0.00020 148 4S -0.00790 0.00567 0.00000 0.00000 0.00121 149 5S 0.01675 -0.01381 0.00000 0.00000 0.00352 150 6S -0.02654 0.02583 0.00001 0.00000 -0.01698 151 7PX -0.02833 0.02800 0.00000 0.00000 0.03960 152 7PY 0.00840 -0.00656 0.00000 0.00000 -0.05946 153 7PZ 0.00000 0.00000 0.01198 0.07297 -0.00032 154 8PX 0.08719 -0.08621 0.00000 0.00001 -0.12201 155 8PY -0.02589 0.02023 0.00000 -0.00001 0.18318 156 8PZ 0.00000 0.00000 -0.03692 -0.22476 0.00100 157 9PX -0.15806 0.15701 0.00001 -0.00002 0.22124 158 9PY 0.04737 -0.03780 -0.00001 0.00001 -0.33216 159 9PZ -0.00001 0.00001 0.06791 0.40569 -0.00181 160 10PX -0.11819 0.11362 0.00001 -0.00002 0.18342 161 10PY 0.03639 -0.02465 0.00000 0.00001 -0.27629 162 10PZ -0.00001 0.00001 0.04589 0.34294 -0.00152 163 11XX 0.00647 -0.00574 0.00000 0.00000 -0.00501 164 11YY -0.00032 0.00056 0.00000 0.00000 0.00492 165 11ZZ 0.00178 -0.00099 0.00000 0.00000 -0.00012 166 11XY 0.00126 -0.00152 0.00000 0.00000 0.00224 167 11XZ 0.00000 0.00000 -0.00104 -0.00577 0.00002 168 11YZ 0.00000 0.00000 -0.00135 -0.00440 0.00002 169 12XX -0.00102 0.00111 0.00000 0.00000 0.01999 170 12YY 0.01427 -0.01236 0.00000 0.00000 -0.01439 171 12ZZ 0.00671 -0.00697 0.00000 0.00000 0.00193 172 12XY -0.00020 0.00084 0.00000 0.00000 -0.00659 173 12XZ 0.00000 0.00000 0.00254 0.01895 -0.00007 174 12YZ 0.00000 0.00000 0.00343 0.01437 -0.00006 81 82 83 84 85 O O V V V Eigenvalues -- -0.31970 -0.31761 -0.05286 -0.03700 -0.02563 1 1 Al 1S 0.00000 0.00041 0.03386 -0.04404 -0.00002 2 2S 0.00000 -0.00348 -0.16268 0.17481 0.00006 3 2PX 0.00002 0.00595 0.00805 -0.05132 0.00000 4 2PY -0.00003 -0.00747 -0.00730 0.02843 0.00000 5 2PZ 0.01114 0.00000 0.00000 0.00006 -0.14396 6 3S -0.00003 -0.00269 0.46092 -0.78371 -0.00026 7 3PX -0.00004 -0.01527 -0.03613 0.21222 0.00000 8 3PY 0.00007 0.01925 0.02151 -0.10152 0.00000 9 3PZ -0.02812 0.00000 0.00001 -0.00019 0.49722 10 4S 0.00005 0.05487 0.76255 -0.46146 -0.00020 11 4PX -0.00010 -0.04465 0.09408 0.07720 -0.00005 12 4PY 0.00022 0.05879 -0.04531 -0.01814 0.00003 13 4PZ -0.04458 0.00000 -0.00001 -0.00016 0.51871 14 5XX -0.00014 -0.02080 -0.01894 -0.00536 0.00000 15 5YY 0.00015 0.02817 -0.03315 0.03024 0.00001 16 5ZZ -0.00001 -0.00580 0.05517 -0.01321 -0.00001 17 5XY -0.00004 -0.00131 -0.01160 0.02857 0.00001 18 5XZ -0.03049 0.00000 -0.00001 0.00000 0.02822 19 5YZ -0.01684 0.00000 0.00000 0.00000 -0.00889 20 2 Al 1S 0.00000 -0.00041 0.03386 0.04404 0.00002 21 2S 0.00000 0.00348 -0.16266 -0.17483 -0.00006 22 2PX -0.00002 0.00596 -0.00804 -0.05133 0.00000 23 2PY 0.00003 -0.00747 0.00729 0.02842 0.00000 24 2PZ -0.01114 0.00000 0.00000 0.00005 -0.14395 25 3S -0.00003 0.00270 0.46080 0.78377 0.00026 26 3PX 0.00004 -0.01528 0.03611 0.21223 0.00001 27 3PY -0.00008 0.01926 -0.02148 -0.10149 -0.00001 28 3PZ 0.02813 0.00000 -0.00001 -0.00017 0.49721 29 4S 0.00005 -0.05488 0.76248 0.46159 0.00020 30 4PX 0.00010 -0.04467 -0.09408 0.07717 -0.00004 31 4PY -0.00021 0.05881 0.04533 -0.01816 0.00002 32 4PZ 0.04460 0.00000 0.00001 -0.00015 0.51870 33 5XX -0.00014 0.02082 -0.01894 0.00537 0.00000 34 5YY 0.00015 -0.02819 -0.03315 -0.03026 -0.00001 35 5ZZ -0.00001 0.00580 0.05517 0.01322 0.00001 36 5XY -0.00004 0.00132 -0.01159 -0.02856 -0.00001 37 5XZ -0.03050 0.00000 -0.00001 0.00000 -0.02822 38 5YZ -0.01685 0.00000 0.00000 0.00000 0.00889 39 3 Cl 1S 0.00000 0.00000 -0.01969 -0.00001 0.01729 40 2S 0.00002 0.00000 0.08526 0.00003 -0.08057 41 2PX 0.04559 0.03044 0.00001 -0.09790 -0.00003 42 2PY 0.02794 0.03795 -0.00001 0.03647 0.00002 43 2PZ 0.00004 0.00000 0.06567 0.00001 -0.01817 44 3S -0.00003 0.00000 -0.22502 -0.00008 0.18603 45 3PX -0.11962 -0.07903 -0.00002 0.26066 0.00009 46 3PY -0.07421 -0.09891 0.00002 -0.09655 -0.00005 47 3PZ -0.00012 0.00001 -0.17643 -0.00003 0.04853 48 4S -0.00013 0.00001 -0.29917 -0.00013 0.44779 49 4PX -0.06916 -0.05505 -0.00003 0.33658 0.00011 50 4PY -0.02692 -0.05499 0.00002 -0.13367 -0.00006 51 4PZ -0.00009 0.00001 -0.23902 -0.00004 0.12970 52 5XX 0.00001 0.00000 0.02480 0.00002 -0.04853 53 5YY 0.00000 0.00000 -0.01076 0.00000 0.00204 54 5ZZ -0.00001 0.00000 0.00161 -0.00001 0.01764 55 5XY 0.00002 0.00000 -0.01852 -0.00001 0.02661 56 5XZ -0.00230 0.00063 0.00000 -0.07174 -0.00002 57 5YZ 0.00026 0.00049 0.00000 0.02677 0.00001 58 4 Cl 1S 0.00000 0.00000 -0.01969 0.00000 -0.01729 59 2S 0.00002 0.00000 0.08526 -0.00002 0.08057 60 2PX -0.04559 0.03044 0.00001 -0.09790 -0.00003 61 2PY -0.02794 0.03795 -0.00001 0.03647 0.00001 62 2PZ -0.00005 0.00000 -0.06567 0.00000 -0.01817 63 3S -0.00004 0.00000 -0.22502 0.00004 -0.18604 64 3PX 0.11962 -0.07903 -0.00001 0.26067 0.00009 65 3PY 0.07421 -0.09891 0.00002 -0.09655 -0.00002 66 3PZ 0.00012 -0.00001 0.17643 0.00000 0.04854 67 4S -0.00014 0.00001 -0.29916 0.00008 -0.44780 68 4PX 0.06916 -0.05505 -0.00001 0.33658 0.00011 69 4PY 0.02692 -0.05500 0.00002 -0.13367 -0.00002 70 4PZ 0.00009 -0.00001 0.23902 0.00000 0.12971 71 5XX 0.00001 0.00000 0.02480 -0.00001 0.04853 72 5YY 0.00000 0.00000 -0.01076 0.00000 -0.00204 73 5ZZ -0.00001 0.00000 0.00161 0.00001 -0.01764 74 5XY 0.00002 0.00000 -0.01852 0.00001 -0.02661 75 5XZ -0.00230 -0.00063 -0.00001 0.07174 0.00002 76 5YZ 0.00026 -0.00049 0.00000 -0.02677 -0.00001 77 5 Cl 1S 0.00000 0.00044 -0.01230 0.00950 0.00000 78 2S -0.00001 -0.00252 0.05598 -0.04095 -0.00002 79 2PX -0.00030 -0.06541 -0.00533 0.01066 0.00000 80 2PY -0.00015 -0.02398 0.07167 -0.06547 -0.00002 81 2PZ -0.03489 0.00000 0.00000 -0.00002 0.05950 82 3S 0.00002 0.00362 -0.13172 0.10790 0.00005 83 3PX 0.00078 0.16745 0.01604 -0.02759 0.00001 84 3PY 0.00038 0.06152 -0.19127 0.17695 0.00007 85 3PZ 0.08846 0.00001 0.00000 0.00005 -0.15807 86 4S 0.00009 0.02336 -0.25808 0.13438 0.00008 87 4PX 0.00045 0.09876 0.00406 -0.04466 0.00001 88 4PY 0.00019 0.03274 -0.23172 0.18178 0.00008 89 4PZ 0.06001 0.00000 0.00001 0.00006 -0.17957 90 5XX -0.00001 -0.00254 -0.00305 0.00710 0.00000 91 5YY 0.00001 0.00046 0.01703 -0.02199 -0.00001 92 5ZZ 0.00000 -0.00056 -0.00024 0.00867 0.00000 93 5XY 0.00001 0.00206 -0.00072 0.00779 0.00000 94 5XZ -0.00090 0.00000 0.00000 0.00000 -0.00167 95 5YZ 0.00137 0.00000 0.00000 -0.00001 0.03431 96 6 Cl 1S 0.00000 -0.00044 -0.01230 -0.00950 0.00000 97 2S -0.00001 0.00252 0.05597 0.04096 0.00002 98 2PX 0.00030 -0.06545 0.00534 0.01067 0.00000 99 2PY 0.00015 -0.02401 -0.07166 -0.06548 -0.00002 100 2PZ 0.03490 0.00000 0.00000 -0.00002 0.05950 101 3S 0.00002 -0.00363 -0.13170 -0.10792 -0.00005 102 3PX -0.00078 0.16756 -0.01607 -0.02762 0.00001 103 3PY -0.00038 0.06160 0.19125 0.17697 0.00007 104 3PZ -0.08848 0.00001 0.00000 0.00005 -0.15807 105 4S 0.00009 -0.02338 -0.25807 -0.13441 -0.00007 106 4PX -0.00045 0.09882 -0.00408 -0.04468 0.00000 107 4PY -0.00019 0.03278 0.23170 0.18181 0.00008 108 4PZ -0.06002 0.00000 -0.00001 0.00005 -0.17957 109 5XX -0.00001 0.00254 -0.00305 -0.00710 0.00000 110 5YY 0.00001 -0.00046 0.01703 0.02199 0.00001 111 5ZZ 0.00000 0.00056 -0.00024 -0.00867 0.00000 112 5XY 0.00001 -0.00206 -0.00072 -0.00779 0.00000 113 5XZ -0.00090 0.00000 0.00000 0.00000 0.00168 114 5YZ 0.00137 0.00000 0.00000 0.00001 -0.03431 115 7 Br 1S 0.00000 0.00006 0.00830 -0.00641 0.00000 116 2S 0.00000 -0.00006 -0.05463 0.04323 0.00002 117 3S 0.00000 -0.00054 0.06449 -0.05309 -0.00002 118 4S 0.00001 0.00113 0.11895 -0.09103 -0.00004 119 5S 0.00002 0.01210 -0.07336 0.11233 0.00004 120 6S -0.00008 -0.03843 -0.31447 0.07350 0.00006 121 7PX -0.00017 -0.04433 0.02414 -0.02372 -0.00001 122 7PY 0.00026 0.05541 0.01988 -0.01630 -0.00001 123 7PZ -0.07376 0.00000 0.00000 0.00001 -0.02424 124 8PX 0.00053 0.13662 -0.07487 0.07360 0.00002 125 8PY -0.00081 -0.17072 -0.06158 0.05063 0.00003 126 8PZ 0.22723 0.00001 0.00000 -0.00003 0.07515 127 9PX -0.00097 -0.24880 0.13976 -0.13828 -0.00004 128 9PY 0.00147 0.30960 0.11165 -0.09720 -0.00005 129 9PZ -0.41116 -0.00002 0.00000 0.00005 -0.13828 130 10PX -0.00080 -0.19906 0.21903 -0.19939 -0.00007 131 10PY 0.00122 0.25869 0.19859 -0.12245 -0.00008 132 10PZ -0.34666 -0.00002 0.00001 0.00007 -0.21406 133 11XX -0.00002 -0.00458 -0.03271 0.03354 0.00001 134 11YY 0.00002 0.00484 -0.02960 0.02320 0.00001 135 11ZZ 0.00000 0.00075 -0.02460 0.01586 0.00001 136 11XY 0.00001 0.00149 -0.00961 0.01263 0.00001 137 11XZ -0.00476 0.00000 0.00000 -0.00001 0.01646 138 11YZ -0.00415 0.00000 0.00000 0.00000 0.01458 139 12XX 0.00009 0.02393 0.01309 -0.00219 0.00000 140 12YY -0.00006 -0.00873 0.00634 0.02204 0.00000 141 12ZZ 0.00001 0.00506 0.00115 0.04226 0.00001 142 12XY -0.00003 -0.00518 0.01855 -0.03100 -0.00001 143 12XZ 0.01682 0.00000 0.00000 0.00001 -0.04330 144 12YZ 0.01437 0.00000 0.00000 0.00001 -0.04076 145 8 Br 1S 0.00000 -0.00006 0.00830 0.00641 0.00000 146 2S 0.00000 0.00006 -0.05462 -0.04324 -0.00002 147 3S 0.00000 0.00054 0.06448 0.05310 0.00002 148 4S 0.00001 -0.00113 0.11893 0.09105 0.00004 149 5S 0.00002 -0.01210 -0.07335 -0.11234 -0.00004 150 6S -0.00008 0.03843 -0.31444 -0.07358 -0.00006 151 7PX 0.00017 -0.04436 -0.02414 -0.02372 -0.00001 152 7PY -0.00026 0.05544 -0.01988 -0.01631 -0.00001 153 7PZ 0.07378 0.00000 0.00000 0.00001 -0.02424 154 8PX -0.00053 0.13672 0.07485 0.07360 0.00002 155 8PY 0.00081 -0.17082 0.06158 0.05065 0.00002 156 8PZ -0.22729 0.00001 0.00000 -0.00002 0.07514 157 9PX 0.00097 -0.24898 -0.13972 -0.13829 -0.00004 158 9PY -0.00147 0.30977 -0.11166 -0.09723 -0.00005 159 9PZ 0.41128 -0.00002 0.00000 0.00004 -0.13827 160 10PX 0.00080 -0.19921 -0.21897 -0.19941 -0.00007 161 10PY -0.00122 0.25884 -0.19860 -0.12251 -0.00007 162 10PZ 0.34677 -0.00002 -0.00001 0.00006 -0.21405 163 11XX -0.00002 0.00459 -0.03270 -0.03354 -0.00001 164 11YY 0.00002 -0.00484 -0.02960 -0.02321 -0.00001 165 11ZZ 0.00000 -0.00075 -0.02460 -0.01586 -0.00001 166 11XY 0.00001 -0.00149 -0.00961 -0.01264 0.00000 167 11XZ -0.00476 0.00000 0.00000 0.00000 -0.01646 168 11YZ -0.00415 0.00000 0.00000 0.00000 -0.01458 169 12XX 0.00009 -0.02394 0.01308 0.00218 0.00000 170 12YY -0.00006 0.00874 0.00635 -0.02203 0.00000 171 12ZZ 0.00001 -0.00506 0.00116 -0.04226 -0.00001 172 12XY -0.00003 0.00518 0.01855 0.03101 0.00001 173 12XZ 0.01682 0.00000 0.00000 -0.00001 0.04329 174 12YZ 0.01438 0.00000 0.00000 -0.00001 0.04076 86 87 88 89 90 V V V V V Eigenvalues -- 0.01775 0.02226 0.03209 0.03655 0.05699 1 1 Al 1S -0.00402 -0.00210 0.00000 -0.00253 -0.00243 2 2S -0.02210 0.02108 -0.00001 -0.00003 -0.00007 3 2PX -0.10559 -0.10511 0.00005 -0.05291 0.05545 4 2PY 0.06050 0.05580 -0.00003 -0.07144 0.09745 5 2PZ -0.00001 0.00007 0.13676 0.00000 0.00000 6 3S -0.25890 0.02753 -0.00004 -0.09624 -0.09672 7 3PX 0.40209 0.36565 -0.00018 0.20288 -0.21126 8 3PY -0.22750 -0.19826 0.00010 0.27040 -0.36994 9 3PZ 0.00004 -0.00026 -0.48968 0.00001 0.00000 10 4S 0.47180 -0.01171 0.00008 0.07468 0.13122 11 4PX 0.65889 0.64409 -0.00036 0.51084 -0.61590 12 4PY -0.40410 -0.34261 0.00021 0.75020 -1.24419 13 4PZ 0.00006 -0.00027 -0.74843 0.00001 -0.00002 14 5XX 0.01883 -0.02711 0.00001 -0.05733 0.06260 15 5YY -0.03966 -0.07499 0.00004 0.06035 -0.03955 16 5ZZ 0.03550 0.08994 -0.00005 0.00417 -0.00747 17 5XY -0.00716 -0.01352 0.00001 -0.06915 0.05271 18 5XZ 0.00000 -0.00002 -0.06936 0.00000 0.00000 19 5YZ 0.00000 0.00001 0.02382 0.00000 0.00001 20 2 Al 1S 0.00402 -0.00210 0.00000 0.00253 -0.00243 21 2S 0.02210 0.02108 -0.00001 0.00002 -0.00006 22 2PX -0.10559 0.10511 -0.00004 -0.05293 -0.05545 23 2PY 0.06047 -0.05582 0.00002 -0.07143 -0.09746 24 2PZ -0.00002 -0.00007 -0.13676 0.00000 0.00000 25 3S 0.25889 0.02751 -0.00010 0.09620 -0.09676 26 3PX 0.40209 -0.36564 0.00014 0.20291 0.21125 27 3PY -0.22738 0.19837 -0.00008 0.27036 0.36997 28 3PZ 0.00008 0.00026 0.48969 0.00000 0.00000 29 4S -0.47179 -0.01168 0.00008 -0.07464 0.13105 30 4PX 0.65888 -0.64409 0.00028 0.51096 0.61552 31 4PY -0.40391 0.34280 -0.00017 0.75006 1.24442 32 4PZ 0.00013 0.00030 0.74846 0.00001 0.00002 33 5XX -0.01883 -0.02708 0.00002 0.05731 0.06261 34 5YY 0.03965 -0.07502 0.00004 -0.06032 -0.03953 35 5ZZ -0.03549 0.08994 -0.00004 -0.00418 -0.00748 36 5XY 0.00716 -0.01348 0.00001 0.06918 0.05273 37 5XZ -0.00001 -0.00002 -0.06937 0.00000 0.00000 38 5YZ 0.00000 0.00001 0.02380 0.00000 0.00001 39 3 Cl 1S 0.00000 0.01540 -0.00001 0.00000 -0.00251 40 2S -0.00002 -0.07046 0.00003 0.00001 0.01245 41 2PX -0.00273 0.00005 0.08717 0.03131 0.00000 42 2PY -0.01660 0.00000 -0.03239 0.08175 0.00000 43 2PZ -0.00001 -0.08063 0.00003 0.00001 0.00655 44 3S 0.00004 0.16899 -0.00008 -0.00002 -0.02527 45 3PX -0.00259 -0.00013 -0.24197 -0.08859 0.00001 46 3PY 0.05078 0.00001 0.08890 -0.22355 0.00000 47 3PZ 0.00002 0.22703 -0.00009 -0.00003 -0.01691 48 4S 0.00013 0.49776 -0.00028 -0.00006 -0.11704 49 4PX 0.11518 -0.00018 -0.33679 -0.07851 0.00000 50 4PY -0.00034 0.00002 0.13667 -0.28717 0.00002 51 4PZ 0.00005 0.30471 -0.00014 -0.00003 -0.05557 52 5XX -0.00001 0.03028 -0.00002 0.00000 -0.05283 53 5YY 0.00000 0.00343 0.00000 0.00000 0.04966 54 5ZZ 0.00000 -0.05207 0.00002 0.00000 0.00818 55 5XY 0.00000 -0.02408 0.00001 0.00000 -0.05244 56 5XZ -0.05169 0.00002 0.02056 0.00747 0.00000 57 5YZ 0.01096 0.00000 -0.00768 0.05609 0.00000 58 4 Cl 1S 0.00000 0.01540 -0.00001 0.00000 -0.00251 59 2S 0.00001 -0.07046 0.00004 0.00001 0.01245 60 2PX -0.00274 -0.00004 -0.08716 0.03131 0.00000 61 2PY -0.01659 0.00003 0.03239 0.08175 0.00001 62 2PZ 0.00000 0.08063 -0.00003 -0.00001 -0.00655 63 3S -0.00002 0.16898 -0.00009 -0.00003 -0.02527 64 3PX -0.00257 0.00011 0.24196 -0.08859 0.00001 65 3PY 0.05077 -0.00008 -0.08890 -0.22355 -0.00003 66 3PZ -0.00001 -0.22703 0.00009 0.00003 0.01691 67 4S -0.00007 0.49774 -0.00030 -0.00010 -0.11704 68 4PX 0.11520 0.00014 0.33676 -0.07851 -0.00001 69 4PY -0.00035 -0.00012 -0.13666 -0.28717 -0.00004 70 4PZ 0.00002 -0.30471 0.00014 0.00005 0.05558 71 5XX 0.00000 0.03028 -0.00001 0.00000 -0.05283 72 5YY 0.00000 0.00343 0.00000 0.00000 0.04966 73 5ZZ 0.00000 -0.05207 0.00002 0.00001 0.00818 74 5XY -0.00001 -0.02408 0.00002 0.00000 -0.05243 75 5XZ 0.05169 0.00001 0.02055 -0.00747 0.00000 76 5YZ -0.01096 -0.00002 -0.00768 -0.05609 -0.00001 77 5 Cl 1S -0.01220 -0.00541 0.00000 0.00982 -0.01423 78 2S 0.05698 0.02642 -0.00002 -0.04799 0.07240 79 2PX 0.03711 0.04979 -0.00003 0.04714 -0.03423 80 2PY 0.03451 0.02391 -0.00002 -0.01813 0.02465 81 2PZ 0.00000 -0.00003 -0.05587 0.00000 0.00000 82 3S -0.12949 -0.05566 0.00003 0.10063 -0.13856 83 3PX -0.09823 -0.13219 0.00007 -0.12699 0.08780 84 3PY -0.09009 -0.06486 0.00004 0.04622 -0.06348 85 3PZ -0.00001 0.00007 0.14974 -0.00001 0.00001 86 4S -0.38669 -0.21825 0.00013 0.37887 -0.65154 87 4PX -0.12836 -0.17139 0.00009 -0.16599 0.18165 88 4PY -0.21061 -0.11259 0.00007 0.15030 -0.23452 89 4PZ -0.00001 0.00009 0.19427 -0.00001 0.00002 90 5XX 0.00215 -0.00812 0.00000 -0.01434 0.01358 91 5YY 0.00882 0.01578 -0.00001 -0.00654 0.00904 92 5ZZ 0.00736 0.00530 0.00000 -0.00086 0.01231 93 5XY 0.02915 0.03205 -0.00002 0.02851 -0.02996 94 5XZ 0.00000 0.00000 -0.00280 0.00000 0.00000 95 5YZ 0.00000 -0.00002 -0.04207 0.00000 0.00000 96 6 Cl 1S 0.01219 -0.00541 0.00000 -0.00982 -0.01423 97 2S -0.05697 0.02644 -0.00001 0.04797 0.07241 98 2PX 0.03710 -0.04977 0.00002 0.04715 0.03424 99 2PY 0.03451 -0.02393 0.00001 -0.01812 -0.02465 100 2PZ 0.00001 0.00003 0.05587 0.00000 0.00000 101 3S 0.12947 -0.05571 0.00002 -0.10060 -0.13860 102 3PX -0.09821 0.13215 -0.00006 -0.12703 -0.08782 103 3PY -0.09008 0.06491 -0.00004 0.04618 0.06347 104 3PZ -0.00002 -0.00007 -0.14974 -0.00001 -0.00001 105 4S 0.38661 -0.21842 0.00010 -0.37877 -0.65158 106 4PX -0.12833 0.17133 -0.00007 -0.16605 -0.18166 107 4PY -0.21059 0.11269 -0.00006 0.15024 0.23451 108 4PZ -0.00003 -0.00009 -0.19428 -0.00001 -0.00002 109 5XX -0.00215 -0.00812 0.00001 0.01435 0.01359 110 5YY -0.00882 0.01579 -0.00001 0.00653 0.00903 111 5ZZ -0.00736 0.00530 0.00000 0.00085 0.01231 112 5XY -0.02915 0.03204 -0.00001 -0.02852 -0.02996 113 5XZ 0.00000 0.00000 -0.00279 0.00000 0.00000 114 5YZ -0.00001 -0.00002 -0.04207 0.00000 0.00000 115 7 Br 1S 0.00584 0.00227 0.00000 0.00890 -0.00951 116 2S -0.03817 -0.01432 0.00001 -0.05736 0.06090 117 3S 0.04450 0.01554 -0.00001 0.06504 -0.06811 118 4S 0.08458 0.03401 -0.00002 0.13097 -0.14117 119 5S -0.01924 0.02612 -0.00001 0.03783 -0.11190 120 6S -0.36662 -0.25237 0.00012 -0.77723 1.05621 121 7PX -0.00548 -0.01042 0.00001 0.01628 -0.01622 122 7PY 0.02198 0.02049 -0.00001 -0.00172 -0.00233 123 7PZ 0.00000 0.00001 0.02278 0.00000 0.00000 124 8PX 0.01705 0.03236 -0.00002 -0.05041 0.05014 125 8PY -0.06815 -0.06354 0.00003 0.00553 0.00717 126 8PZ 0.00001 -0.00003 -0.07070 0.00000 0.00000 127 9PX -0.03464 -0.05963 0.00003 0.08536 -0.07806 128 9PY 0.12089 0.11525 -0.00006 -0.02016 -0.00893 129 9PZ -0.00001 0.00006 0.13054 0.00000 0.00000 130 10PX 0.00490 -0.08086 0.00004 0.27838 -0.34792 131 10PY 0.27749 0.22948 -0.00012 0.09752 -0.11479 132 10PZ -0.00002 0.00010 0.22945 0.00001 -0.00001 133 11XX 0.00025 0.01371 -0.00001 -0.03942 0.04404 134 11YY -0.03810 -0.02619 0.00001 -0.02172 0.01789 135 11ZZ -0.02172 -0.00809 0.00000 -0.02557 0.02864 136 11XY -0.00520 -0.00898 0.00001 0.00328 0.00575 137 11XZ 0.00000 -0.00001 -0.01868 0.00000 0.00000 138 11YZ 0.00000 -0.00001 -0.02098 0.00000 0.00000 139 12XX -0.04325 -0.03535 0.00002 0.08583 -0.12585 140 12YY 0.06709 0.07757 -0.00004 0.04019 -0.05462 141 12ZZ 0.03132 0.03027 -0.00001 0.05404 -0.09682 142 12XY 0.00706 0.02618 -0.00002 -0.02109 -0.00654 143 12XZ -0.00001 0.00002 0.05185 0.00000 0.00000 144 12YZ 0.00000 0.00003 0.06532 0.00000 0.00000 145 8 Br 1S -0.00584 0.00227 0.00000 -0.00890 -0.00951 146 2S 0.03817 -0.01431 0.00001 0.05736 0.06089 147 3S -0.04450 0.01553 -0.00001 -0.06504 -0.06810 148 4S -0.08458 0.03398 -0.00001 -0.13098 -0.14116 149 5S 0.01922 0.02610 -0.00001 -0.03782 -0.11195 150 6S 0.36667 -0.25217 0.00010 0.77723 1.05629 151 7PX -0.00548 0.01043 0.00000 0.01628 0.01622 152 7PY 0.02198 -0.02049 0.00001 -0.00171 0.00233 153 7PZ 0.00000 -0.00001 -0.02278 0.00000 0.00000 154 8PX 0.01705 -0.03239 0.00001 -0.05040 -0.05015 155 8PY -0.06814 0.06355 -0.00003 0.00550 -0.00718 156 8PZ 0.00001 0.00003 0.07070 0.00000 0.00000 157 9PX -0.03463 0.05968 -0.00002 0.08534 0.07806 158 9PY 0.12087 -0.11526 0.00006 -0.02011 0.00895 159 9PZ -0.00002 -0.00006 -0.13055 0.00000 0.00000 160 10PX 0.00491 0.08099 -0.00003 0.27833 0.34795 161 10PY 0.27747 -0.22947 0.00011 0.09761 0.11482 162 10PZ -0.00004 -0.00011 -0.22946 0.00001 0.00001 163 11XX -0.00024 0.01372 -0.00001 0.03942 0.04404 164 11YY 0.03810 -0.02619 0.00001 0.02173 0.01788 165 11ZZ 0.02172 -0.00809 0.00000 0.02557 0.02864 166 11XY 0.00519 -0.00898 0.00001 -0.00328 0.00576 167 11XZ 0.00000 -0.00001 -0.01868 0.00000 0.00000 168 11YZ 0.00000 -0.00001 -0.02098 0.00000 0.00000 169 12XX 0.04323 -0.03539 0.00001 -0.08581 -0.12587 170 12YY -0.06709 0.07757 -0.00004 -0.04021 -0.05464 171 12ZZ -0.03132 0.03025 -0.00001 -0.05404 -0.09684 172 12XY -0.00704 0.02617 -0.00002 0.02108 -0.00656 173 12XZ 0.00001 0.00002 0.05185 0.00000 0.00000 174 12YZ 0.00001 0.00003 0.06533 0.00000 0.00000 91 92 93 94 95 V V V V V Eigenvalues -- 0.08160 0.11842 0.12707 0.14900 0.15202 1 1 Al 1S -0.03792 0.00000 -0.01539 0.00000 -0.00900 2 2S 0.02944 -0.00001 0.01861 0.00001 0.00599 3 2PX 0.01676 0.00000 0.16737 0.00002 -0.01474 4 2PY -0.00302 0.00000 -0.00186 0.00005 -0.17630 5 2PZ -0.00001 0.16215 -0.00001 0.16028 0.00005 6 3S -1.33663 0.00004 -0.53254 0.00017 -0.31687 7 3PX -0.07385 0.00001 -0.81990 -0.00014 0.07979 8 3PY 0.02726 0.00000 0.02365 -0.00027 0.94576 9 3PZ 0.00003 -0.84495 0.00006 -0.84569 -0.00027 10 4S 1.53547 -0.00001 0.18255 -0.00039 0.17002 11 4PX 0.18060 -0.00007 1.01088 0.00026 0.03832 12 4PY 0.18802 0.00000 -0.16849 0.00015 -0.81185 13 4PZ 0.00005 1.11285 -0.00012 1.02538 0.00031 14 5XX 0.06727 0.00000 0.04675 0.00002 -0.06494 15 5YY 0.06540 0.00001 0.04424 -0.00002 0.07197 16 5ZZ 0.04525 0.00000 0.01845 0.00000 0.00020 17 5XY 0.00561 0.00001 0.05049 0.00002 -0.04965 18 5XZ 0.00001 0.08363 0.00000 -0.04721 -0.00002 19 5YZ 0.00000 -0.03927 0.00000 0.00727 -0.00001 20 2 Al 1S -0.03792 0.00000 0.01540 0.00000 0.00900 21 2S 0.02944 -0.00001 -0.01861 -0.00001 -0.00599 22 2PX -0.01675 0.00000 0.16736 0.00003 -0.01474 23 2PY 0.00303 0.00000 -0.00187 0.00005 -0.17630 24 2PZ 0.00001 -0.16215 -0.00002 0.16028 0.00005 25 3S -1.33663 -0.00002 0.53259 -0.00019 0.31688 26 3PX 0.07382 0.00001 -0.81984 -0.00016 0.07979 27 3PY -0.02726 0.00000 0.02366 -0.00027 0.94579 28 3PZ -0.00002 0.84494 0.00009 -0.84572 -0.00026 29 4S 1.53551 0.00012 -0.18259 0.00041 -0.17006 30 4PX -0.18053 0.00011 1.01085 0.00033 0.03834 31 4PY -0.18804 -0.00003 -0.16838 0.00015 -0.81186 32 4PZ -0.00005 -1.11282 -0.00014 1.02539 0.00031 33 5XX 0.06726 -0.00001 -0.04672 -0.00003 0.06492 34 5YY 0.06541 0.00001 -0.04426 0.00002 -0.07195 35 5ZZ 0.04525 0.00000 -0.01845 0.00001 -0.00020 36 5XY 0.00561 0.00001 -0.05048 -0.00001 0.04969 37 5XZ 0.00001 0.08363 0.00000 0.04721 0.00002 38 5YZ 0.00000 -0.03927 0.00000 -0.00728 0.00000 39 3 Cl 1S -0.00264 0.00000 0.00000 0.00303 0.00000 40 2S 0.02272 0.00001 0.00000 -0.01306 0.00000 41 2PX -0.00001 0.02608 0.02036 0.00000 0.00878 42 2PY 0.00000 -0.00786 -0.01222 0.00000 0.00246 43 2PZ -0.04997 0.00000 -0.00001 0.06601 0.00002 44 3S -0.00250 -0.00001 0.00000 0.03508 0.00000 45 3PX 0.00001 -0.06660 -0.05382 0.00001 -0.02899 46 3PY -0.00001 0.01771 0.03486 0.00001 -0.01082 47 3PZ 0.15638 0.00000 0.00002 -0.20196 -0.00008 48 4S -0.45002 -0.00010 -0.00005 0.34304 0.00013 49 4PX 0.00003 -0.06079 -0.12445 -0.00001 0.01556 50 4PY -0.00001 0.03068 0.02132 -0.00003 0.09978 51 4PZ -0.08813 -0.00006 -0.00001 -0.11142 -0.00003 52 5XX 0.00061 0.00000 -0.00001 0.03556 0.00002 53 5YY 0.03814 0.00001 0.00001 -0.04137 -0.00002 54 5ZZ -0.01601 0.00000 0.00001 0.00610 0.00000 55 5XY 0.03188 -0.00001 0.00000 -0.03941 -0.00001 56 5XZ 0.00000 0.11165 0.03546 0.00001 0.02177 57 5YZ 0.00000 -0.04414 -0.03224 -0.00002 0.04469 58 4 Cl 1S -0.00264 0.00000 0.00000 -0.00303 0.00000 59 2S 0.02272 0.00001 0.00000 0.01306 0.00001 60 2PX 0.00001 -0.02608 0.02036 0.00000 0.00878 61 2PY 0.00000 0.00786 -0.01222 0.00000 0.00246 62 2PZ 0.04997 0.00000 -0.00001 0.06601 0.00002 63 3S -0.00250 -0.00001 0.00000 -0.03509 -0.00002 64 3PX -0.00002 0.06660 -0.05382 0.00001 -0.02899 65 3PY 0.00000 -0.01771 0.03485 0.00000 -0.01082 66 3PZ -0.15637 -0.00001 0.00003 -0.20197 -0.00005 67 4S -0.45001 -0.00011 0.00007 -0.34308 -0.00008 68 4PX -0.00003 0.06079 -0.12444 -0.00002 0.01557 69 4PY 0.00002 -0.03068 0.02132 -0.00003 0.09978 70 4PZ 0.08814 0.00007 -0.00001 -0.11141 -0.00004 71 5XX 0.00062 0.00001 0.00000 -0.03556 -0.00001 72 5YY 0.03814 0.00000 0.00000 0.04138 0.00001 73 5ZZ -0.01601 0.00000 0.00000 -0.00610 0.00000 74 5XY 0.03188 0.00000 -0.00001 0.03941 0.00000 75 5XZ -0.00001 0.11164 -0.03545 -0.00001 -0.02177 76 5YZ 0.00000 -0.04414 0.03224 0.00002 -0.04469 77 5 Cl 1S -0.00246 0.00000 -0.00251 0.00000 -0.00017 78 2S 0.00877 0.00000 0.00743 0.00000 -0.00603 79 2PX -0.00188 0.00000 -0.00199 0.00000 -0.00092 80 2PY -0.03478 0.00000 -0.01857 0.00002 -0.05789 81 2PZ 0.00000 0.01438 0.00000 0.01834 0.00001 82 3S -0.03215 -0.00001 -0.03738 0.00000 -0.01695 83 3PX 0.00957 0.00001 0.00914 0.00000 0.00774 84 3PY 0.10053 0.00000 0.05305 -0.00005 0.16012 85 3PZ -0.00001 -0.03836 0.00001 -0.05628 -0.00002 86 4S -0.12005 -0.00001 -0.06720 0.00004 -0.06881 87 4PX -0.03304 0.00001 -0.06692 -0.00001 -0.04306 88 4PY 0.03614 -0.00001 0.04186 -0.00006 0.26806 89 4PZ -0.00001 -0.09700 0.00001 -0.06006 -0.00003 90 5XX 0.02585 0.00000 0.02314 -0.00001 0.03960 91 5YY -0.05121 0.00000 -0.03986 0.00002 -0.09607 92 5ZZ 0.02083 0.00000 0.01068 -0.00001 0.03895 93 5XY 0.00766 0.00000 -0.02881 -0.00001 0.02584 94 5XZ 0.00000 0.00675 0.00000 -0.00080 0.00000 95 5YZ 0.00001 -0.01737 0.00000 -0.02718 0.00000 96 6 Cl 1S -0.00246 0.00000 0.00251 0.00000 0.00017 97 2S 0.00877 0.00000 -0.00742 0.00000 0.00603 98 2PX 0.00188 0.00001 -0.00199 0.00000 -0.00091 99 2PY 0.03478 0.00000 -0.01858 0.00002 -0.05789 100 2PZ 0.00000 -0.01439 0.00000 0.01833 0.00001 101 3S -0.03213 -0.00001 0.03736 0.00000 0.01694 102 3PX -0.00954 -0.00002 0.00914 -0.00001 0.00770 103 3PY -0.10054 0.00000 0.05308 -0.00005 0.16012 104 3PZ 0.00001 0.03837 0.00001 -0.05627 -0.00002 105 4S -0.12006 -0.00002 0.06718 -0.00004 0.06881 106 4PX 0.03305 -0.00002 -0.06693 -0.00002 -0.04310 107 4PY -0.03614 0.00001 0.04189 -0.00006 0.26806 108 4PZ 0.00001 0.09699 0.00001 -0.06006 -0.00002 109 5XX 0.02585 0.00000 -0.02315 0.00001 -0.03960 110 5YY -0.05120 0.00000 0.03987 -0.00002 0.09606 111 5ZZ 0.02083 0.00000 -0.01068 0.00001 -0.03895 112 5XY 0.00767 0.00000 0.02879 0.00001 -0.02586 113 5XZ 0.00000 0.00675 0.00000 0.00080 0.00000 114 5YZ 0.00001 -0.01737 0.00000 0.02718 0.00000 115 7 Br 1S 0.00359 0.00000 0.00061 0.00000 0.00053 116 2S -0.02372 0.00000 -0.00479 0.00000 -0.00327 117 3S 0.02816 0.00000 0.00741 0.00000 0.00329 118 4S 0.05210 0.00000 0.00733 0.00000 0.00849 119 5S 0.03276 -0.00001 -0.02922 -0.00003 0.01185 120 6S -0.46080 0.00003 -0.10258 0.00006 0.00070 121 7PX -0.00790 0.00000 -0.01368 0.00000 0.00570 122 7PY -0.01045 0.00000 -0.01151 0.00000 0.00788 123 7PZ 0.00000 -0.00643 0.00000 -0.00722 0.00000 124 8PX 0.02468 0.00000 0.04250 0.00001 -0.01760 125 8PY 0.03269 0.00000 0.03591 0.00001 -0.02461 126 8PZ 0.00000 0.02002 0.00000 0.02267 0.00001 127 9PX -0.05469 0.00001 -0.07562 -0.00001 0.02614 128 9PY -0.07269 -0.00001 -0.07247 -0.00002 0.04896 129 9PZ -0.00001 -0.03614 0.00001 -0.05068 -0.00001 130 10PX 0.03338 0.00001 -0.18624 -0.00008 0.09989 131 10PY 0.00885 0.00000 -0.06593 -0.00004 0.11860 132 10PZ -0.00001 -0.11903 0.00001 -0.08430 -0.00002 133 11XX -0.00113 0.00000 0.00372 0.00001 -0.02946 134 11YY -0.00749 0.00000 0.01006 0.00000 0.01454 135 11ZZ -0.02925 0.00000 -0.02418 -0.00001 0.01055 136 11XY 0.03093 0.00000 0.04440 0.00001 -0.01614 137 11XZ 0.00000 -0.01104 0.00000 -0.01209 -0.00001 138 11YZ 0.00000 -0.00359 0.00000 -0.01265 0.00000 139 12XX -0.01670 0.00000 -0.02915 -0.00004 0.10898 140 12YY 0.00631 -0.00001 -0.06908 0.00000 -0.05277 141 12ZZ 0.07818 -0.00001 0.04404 0.00000 -0.02410 142 12XY -0.10449 0.00000 -0.14161 -0.00003 0.04246 143 12XZ -0.00001 0.04679 -0.00001 0.04941 0.00002 144 12YZ -0.00001 0.01613 -0.00001 0.05129 0.00002 145 8 Br 1S 0.00359 0.00000 -0.00061 0.00000 -0.00053 146 2S -0.02372 0.00000 0.00480 0.00000 0.00328 147 3S 0.02816 0.00000 -0.00742 0.00000 -0.00329 148 4S 0.05210 0.00000 -0.00735 0.00000 -0.00849 149 5S 0.03274 0.00000 0.02928 0.00002 -0.01184 150 6S -0.46077 0.00001 0.10251 -0.00002 -0.00071 151 7PX 0.00790 0.00000 -0.01367 0.00000 0.00570 152 7PY 0.01046 0.00000 -0.01151 0.00000 0.00788 153 7PZ 0.00000 0.00643 0.00000 -0.00722 0.00000 154 8PX -0.02467 0.00000 0.04248 0.00001 -0.01760 155 8PY -0.03270 -0.00001 0.03592 0.00001 -0.02462 156 8PZ 0.00000 -0.02001 0.00000 0.02268 0.00000 157 9PX 0.05467 -0.00001 -0.07559 -0.00002 0.02614 158 9PY 0.07269 0.00001 -0.07249 -0.00001 0.04898 159 9PZ 0.00001 0.03612 0.00001 -0.05068 -0.00001 160 10PX -0.03339 -0.00002 -0.18618 -0.00008 0.09990 161 10PY -0.00886 0.00001 -0.06594 -0.00004 0.11864 162 10PZ 0.00001 0.11903 0.00001 -0.08430 -0.00002 163 11XX -0.00114 0.00000 -0.00370 -0.00001 0.02945 164 11YY -0.00749 0.00000 -0.01007 0.00000 -0.01453 165 11ZZ -0.02925 0.00000 0.02419 0.00001 -0.01055 166 11XY 0.03093 0.00000 -0.04440 -0.00001 0.01615 167 11XZ 0.00000 -0.01104 0.00000 0.01208 0.00001 168 11YZ 0.00000 -0.00360 0.00000 0.01265 0.00000 169 12XX -0.01668 0.00000 0.02913 0.00004 -0.10897 170 12YY 0.00629 -0.00001 0.06915 -0.00001 0.05275 171 12ZZ 0.07818 0.00000 -0.04401 0.00000 0.02411 172 12XY -0.10449 -0.00001 0.14160 0.00003 -0.04250 173 12XZ -0.00001 0.04679 0.00001 -0.04940 -0.00002 174 12YZ -0.00001 0.01613 0.00001 -0.05130 -0.00002 96 97 98 99 100 V V V V V Eigenvalues -- 0.16801 0.17976 0.19317 0.26130 0.29494 1 1 Al 1S 0.00609 -0.00291 0.01473 -0.00148 0.00000 2 2S 0.01568 0.01737 0.13149 -0.00840 0.00000 3 2PX 0.16162 0.03996 0.01753 -0.03382 0.00000 4 2PY 0.04324 -0.16630 -0.02271 -0.00332 0.00000 5 2PZ 0.00001 0.00001 -0.00002 0.00000 0.02462 6 3S 0.28984 -0.03182 1.20233 -0.11330 0.00001 7 3PX -0.87944 -0.25808 -0.23464 0.15965 -0.00001 8 3PY -0.20722 0.92621 0.18565 0.02027 0.00000 9 3PZ -0.00006 -0.00004 0.00009 -0.00002 -0.12615 10 4S -0.20668 0.01381 -4.10955 0.04900 0.00001 11 4PX 1.14689 0.22390 2.31351 -0.15276 -0.00003 12 4PY 0.50089 -1.29962 -0.92117 0.01150 0.00002 13 4PZ 0.00005 0.00003 -0.00017 0.00007 -0.14350 14 5XX 0.10058 -0.00741 0.06600 0.44903 0.00002 15 5YY -0.02068 0.04208 -0.11791 -0.04010 0.00001 16 5ZZ -0.04233 -0.03710 -0.07137 -0.38055 -0.00002 17 5XY 0.00291 -0.06737 -0.10060 -0.22317 -0.00003 18 5XZ -0.00001 -0.00001 0.00001 -0.00003 0.22594 19 5YZ 0.00000 0.00000 0.00000 -0.00001 0.31969 20 2 Al 1S 0.00609 -0.00291 -0.01473 -0.00148 0.00000 21 2S 0.01567 0.01739 -0.13149 -0.00840 0.00000 22 2PX -0.16163 -0.03997 0.01753 0.03381 0.00000 23 2PY -0.04325 0.16630 -0.02269 0.00331 0.00000 24 2PZ 0.00000 0.00000 -0.00001 0.00000 -0.02461 25 3S 0.28967 -0.03164 -1.20235 -0.11325 0.00002 26 3PX 0.87948 0.25817 -0.23468 -0.15963 0.00001 27 3PY 0.20724 -0.92619 0.18552 -0.02021 0.00000 28 3PZ 0.00002 0.00002 0.00006 0.00000 0.12608 29 4S -0.20626 0.01327 4.10958 0.04892 -0.00004 30 4PX -1.14675 -0.22424 2.31347 0.15271 0.00000 31 4PY -0.50096 1.29973 -0.92116 -0.01149 -0.00001 32 4PZ -0.00001 -0.00002 -0.00011 -0.00005 0.14355 33 5XX 0.10057 -0.00741 -0.06600 0.44906 0.00002 34 5YY -0.02067 0.04206 0.11792 -0.04013 0.00001 35 5ZZ -0.04232 -0.03711 0.07136 -0.38055 -0.00002 36 5XY 0.00292 -0.06739 0.10058 -0.22313 -0.00002 37 5XZ 0.00000 0.00000 -0.00001 -0.00001 0.22583 38 5YZ 0.00000 0.00000 0.00000 -0.00001 0.31947 39 3 Cl 1S -0.00491 -0.00185 0.00000 0.00184 0.00000 40 2S 0.01081 0.00197 0.00000 -0.00092 0.00000 41 2PX 0.00000 0.00000 -0.06490 0.00001 -0.03683 42 2PY 0.00000 0.00000 0.02536 0.00001 -0.10632 43 2PZ 0.05531 0.02981 0.00000 0.05709 0.00001 44 3S -0.08765 -0.03857 0.00001 0.04137 0.00000 45 3PX 0.00000 -0.00001 0.20788 -0.00002 0.15315 46 3PY 0.00000 0.00001 -0.07962 -0.00003 0.37449 47 3PZ -0.16251 -0.08878 0.00002 -0.18872 -0.00002 48 4S 0.39954 0.26666 -0.00001 -0.11482 -0.00001 49 4PX 0.00000 -0.00004 0.30634 0.00005 -0.28783 50 4PY 0.00001 0.00001 -0.13591 0.00001 -0.22645 51 4PZ -0.04073 -0.01059 -0.00003 0.06509 0.00000 52 5XX -0.01041 -0.00242 0.00000 -0.12324 -0.00003 53 5YY -0.06602 -0.04758 0.00000 -0.00893 0.00002 54 5ZZ 0.06913 0.04416 0.00001 0.13968 0.00001 55 5XY -0.03572 -0.01067 0.00000 0.06482 -0.00002 56 5XZ 0.00000 0.00001 0.06267 0.00000 0.03111 57 5YZ -0.00001 0.00000 -0.02027 0.00000 -0.06264 58 4 Cl 1S -0.00491 -0.00185 0.00000 0.00184 0.00000 59 2S 0.01081 0.00197 0.00000 -0.00092 0.00000 60 2PX 0.00000 0.00000 -0.06489 0.00000 0.03683 61 2PY 0.00000 0.00000 0.02536 0.00000 0.10632 62 2PZ -0.05531 -0.02980 -0.00001 -0.05708 0.00000 63 3S -0.08765 -0.03858 -0.00002 0.04137 0.00001 64 3PX 0.00001 -0.00001 0.20788 0.00000 -0.15314 65 3PY 0.00000 0.00000 -0.07961 -0.00001 -0.37449 66 3PZ 0.16250 0.08878 0.00002 0.18871 -0.00001 67 4S 0.39953 0.26666 0.00001 -0.11483 -0.00005 68 4PX 0.00006 0.00000 0.30635 -0.00004 0.28781 69 4PY -0.00002 0.00001 -0.13591 0.00002 0.22646 70 4PZ 0.04071 0.01058 -0.00003 -0.06508 0.00003 71 5XX -0.01041 -0.00242 0.00000 -0.12324 0.00002 72 5YY -0.06602 -0.04758 0.00000 -0.00893 -0.00002 73 5ZZ 0.06913 0.04415 -0.00001 0.13968 0.00001 74 5XY -0.03571 -0.01067 0.00000 0.06481 0.00002 75 5XZ 0.00001 0.00001 -0.06267 0.00000 0.03111 76 5YZ 0.00000 0.00001 0.02027 0.00000 -0.06264 77 5 Cl 1S 0.00448 0.00094 0.00528 -0.00199 0.00000 78 2S -0.01575 -0.00100 -0.03124 0.00172 0.00000 79 2PX 0.02226 0.03887 0.04902 0.02692 0.00000 80 2PY 0.01621 -0.05522 0.00943 0.00592 0.00000 81 2PZ 0.00000 0.00000 0.00000 0.00000 -0.06694 82 3S 0.06171 0.01965 0.04096 -0.04087 0.00001 83 3PX -0.06709 -0.12411 -0.13632 -0.08633 -0.00001 84 3PY -0.04864 0.15561 -0.04662 -0.02237 0.00000 85 3PZ 0.00000 0.00000 0.00001 -0.00001 0.22515 86 4S 0.12642 -0.28835 0.32747 0.06612 -0.00001 87 4PX -0.08469 -0.00444 -0.26630 0.01658 0.00001 88 4PY -0.00643 0.22492 0.26147 0.03334 0.00001 89 4PZ 0.00000 -0.00001 0.00000 0.00000 -0.07282 90 5XX -0.00562 0.03614 0.00464 0.00727 0.00000 91 5YY 0.02416 -0.08748 0.00233 -0.00056 0.00000 92 5ZZ -0.01396 0.05408 -0.02521 -0.01910 0.00000 93 5XY -0.02601 0.02468 0.03883 0.05837 0.00001 94 5XZ 0.00000 0.00000 0.00000 0.00000 0.02320 95 5YZ 0.00000 0.00000 0.00000 0.00000 -0.07875 96 6 Cl 1S 0.00448 0.00093 -0.00528 -0.00200 0.00000 97 2S -0.01575 -0.00100 0.03123 0.00172 0.00000 98 2PX -0.02226 -0.03887 0.04903 -0.02693 0.00000 99 2PY -0.01620 0.05521 0.00944 -0.00592 0.00000 100 2PZ 0.00000 0.00000 0.00000 0.00000 0.06690 101 3S 0.06169 0.01962 -0.04097 -0.04088 0.00002 102 3PX 0.06709 0.12411 -0.13634 0.08634 0.00001 103 3PY 0.04863 -0.15559 -0.04663 0.02238 0.00000 104 3PZ 0.00000 0.00000 0.00001 0.00001 -0.22504 105 4S 0.12636 -0.28830 -0.32733 0.06610 0.00000 106 4PX 0.08467 0.00449 -0.26631 -0.01659 0.00000 107 4PY 0.00644 -0.22492 0.26138 -0.03329 -0.00001 108 4PZ 0.00000 0.00001 0.00000 0.00000 0.07278 109 5XX -0.00561 0.03614 -0.00462 0.00726 0.00000 110 5YY 0.02415 -0.08747 -0.00236 -0.00054 0.00000 111 5ZZ -0.01396 0.05407 0.02521 -0.01910 0.00000 112 5XY -0.02601 0.02470 -0.03883 0.05837 0.00001 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.02319 114 5YZ 0.00000 0.00000 0.00000 0.00000 -0.07869 115 7 Br 1S -0.00122 -0.00236 -0.00263 0.00443 0.00000 116 2S 0.01164 0.01681 0.01619 -0.03456 -0.00001 117 3S -0.02093 -0.02235 -0.01698 0.05167 0.00001 118 4S -0.01406 -0.03340 -0.03932 0.05923 0.00001 119 5S 0.23789 0.04573 -0.06752 -0.33750 -0.00007 120 6S -0.71943 0.13937 0.39698 0.59134 0.00014 121 7PX -0.02097 0.00119 -0.01131 -0.00594 0.00000 122 7PY 0.00038 0.01029 0.01543 0.00487 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 -0.01278 124 8PX 0.06574 -0.00369 0.03503 0.01883 0.00000 125 8PY -0.00147 -0.03225 -0.04834 -0.01507 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.04034 127 9PX -0.14402 0.00877 -0.04907 -0.05449 -0.00001 128 9PY 0.01718 0.07090 0.10685 0.02078 -0.00001 129 9PZ 0.00000 0.00000 0.00001 0.00000 -0.09978 130 10PX -0.12831 -0.04500 -0.34456 0.06183 0.00001 131 10PY -0.06705 0.09076 0.08429 0.07980 0.00000 132 10PZ 0.00000 0.00000 0.00001 0.00000 0.01716 133 11XX 0.03426 -0.01523 0.02023 0.00662 -0.00001 134 11YY 0.01286 0.02057 -0.02732 -0.07989 -0.00001 135 11ZZ -0.01575 0.02581 0.02852 -0.00054 0.00000 136 11XY 0.02889 -0.01254 -0.00509 -0.01234 0.00000 137 11XZ 0.00000 0.00000 0.00000 -0.00001 0.07062 138 11YZ 0.00000 0.00000 0.00000 -0.00001 0.02807 139 12XX 0.02253 0.11766 -0.06916 -0.26946 -0.00002 140 12YY 0.09167 -0.02829 0.08227 0.09288 -0.00002 141 12ZZ 0.18743 -0.03972 -0.13502 -0.23416 -0.00005 142 12XY -0.08456 0.03774 0.02552 0.03683 0.00000 143 12XZ 0.00000 0.00001 -0.00001 0.00002 -0.30624 144 12YZ 0.00000 0.00000 0.00000 0.00002 -0.11783 145 8 Br 1S -0.00122 -0.00236 0.00263 0.00443 0.00000 146 2S 0.01165 0.01682 -0.01619 -0.03455 -0.00001 147 3S -0.02094 -0.02235 0.01698 0.05167 0.00001 148 4S -0.01407 -0.03341 0.03933 0.05922 0.00001 149 5S 0.23801 0.04572 0.06761 -0.33747 -0.00009 150 6S -0.71965 0.13947 -0.39729 0.59130 0.00018 151 7PX 0.02097 -0.00119 -0.01131 0.00594 0.00000 152 7PY -0.00038 -0.01029 0.01542 -0.00487 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.01278 154 8PX -0.06574 0.00369 0.03503 -0.01884 0.00000 155 8PY 0.00146 0.03225 -0.04833 0.01507 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 -0.04032 157 9PX 0.14404 -0.00877 -0.04906 0.05448 0.00001 158 9PY -0.01718 -0.07090 0.10683 -0.02078 0.00001 159 9PZ 0.00000 0.00000 0.00001 0.00000 0.09973 160 10PX 0.12829 0.04505 -0.34464 -0.06178 0.00000 161 10PY 0.06706 -0.09076 0.08421 -0.07978 0.00000 162 10PZ 0.00000 0.00000 0.00001 0.00000 -0.01717 163 11XX 0.03426 -0.01522 -0.02023 0.00664 -0.00001 164 11YY 0.01288 0.02057 0.02732 -0.07990 -0.00001 165 11ZZ -0.01574 0.02581 -0.02853 -0.00054 0.00000 166 11XY 0.02889 -0.01255 0.00508 -0.01232 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.07058 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.02806 169 12XX 0.02259 0.11765 0.06920 -0.26947 -0.00003 170 12YY 0.09170 -0.02828 -0.08223 0.09291 -0.00003 171 12ZZ 0.18749 -0.03974 0.13507 -0.23414 -0.00006 172 12XY -0.08457 0.03776 -0.02548 0.03677 0.00000 173 12XZ 0.00000 0.00000 0.00001 0.00002 -0.30609 174 12YZ 0.00000 0.00000 0.00000 0.00001 -0.11780 101 102 103 104 105 V V V V V Eigenvalues -- 0.29692 0.31337 0.31441 0.33150 0.33778 1 1 Al 1S 0.00000 0.00439 0.00145 -0.00220 -0.00378 2 2S 0.00000 0.00920 0.00593 -0.00926 -0.07186 3 2PX 0.00000 0.00400 -0.00945 0.00981 0.01156 4 2PY 0.00000 0.03737 0.02997 -0.02485 -0.02212 5 2PZ -0.03406 0.00000 0.00000 0.00000 0.00001 6 3S -0.00001 0.21311 0.07927 -0.10522 -0.46135 7 3PX 0.00000 -0.01414 0.11503 -0.00166 -0.06207 8 3PY -0.00001 -0.30945 -0.31697 0.26958 0.23427 9 3PZ 0.18225 0.00003 0.00003 0.00001 -0.00005 10 4S -0.00003 0.10634 0.00621 -0.23166 0.97468 11 4PX 0.00000 0.22215 0.00638 0.04438 -0.54281 12 4PY 0.00002 -0.11821 -0.31827 -0.08481 0.35818 13 4PZ -0.07434 0.00000 0.00005 0.00001 0.00002 14 5XX 0.00002 -0.23204 -0.17321 0.09276 0.05100 15 5YY -0.00002 0.25833 0.36692 -0.19321 -0.33742 16 5ZZ 0.00000 -0.01209 -0.19290 0.02297 0.24541 17 5XY 0.00001 -0.21632 0.09364 0.39646 -0.20969 18 5XZ -0.23574 -0.00002 -0.00002 -0.00001 0.00000 19 5YZ -0.44646 -0.00004 0.00001 0.00002 0.00000 20 2 Al 1S 0.00000 -0.00439 0.00145 -0.00220 0.00378 21 2S 0.00000 -0.00920 0.00593 -0.00929 0.07185 22 2PX 0.00000 0.00399 0.00946 -0.00981 0.01156 23 2PY 0.00000 0.03737 -0.02997 0.02486 -0.02211 24 2PZ -0.03408 0.00000 0.00000 0.00000 0.00000 25 3S 0.00001 -0.21309 0.07933 -0.10544 0.46131 26 3PX 0.00000 -0.01411 -0.11508 0.00172 -0.06208 27 3PY 0.00002 -0.30941 0.31701 -0.26969 0.23416 28 3PZ 0.18234 0.00003 -0.00002 0.00000 -0.00004 29 4S 0.00003 -0.10637 0.00617 -0.23111 -0.97486 30 4PX 0.00000 0.22212 -0.00651 -0.04411 -0.54282 31 4PY 0.00002 -0.11813 0.31832 0.08465 0.35824 32 4PZ -0.07439 -0.00001 -0.00005 -0.00002 0.00001 33 5XX -0.00003 0.23197 -0.17329 0.09276 -0.05101 34 5YY 0.00003 -0.25822 0.36700 -0.19327 0.33735 35 5ZZ 0.00000 0.01203 -0.19291 0.02302 -0.24539 36 5XY -0.00002 0.21641 0.09356 0.39636 0.20979 37 5XZ 0.23575 0.00002 -0.00002 -0.00001 -0.00001 38 5YZ 0.44667 0.00004 0.00000 0.00003 0.00000 39 3 Cl 1S 0.00401 0.00000 0.01667 0.00488 0.00000 40 2S -0.01689 -0.00001 -0.05097 -0.01969 0.00000 41 2PX -0.00001 0.02030 0.00000 0.00000 0.03708 42 2PY -0.00004 0.04641 -0.00001 0.00000 -0.01294 43 2PZ 0.00019 0.00001 0.05988 0.02593 0.00000 44 3S 0.05265 0.00003 0.26390 0.06619 0.00002 45 3PX 0.00002 -0.07224 -0.00001 0.00000 -0.10550 46 3PY 0.00013 -0.16393 0.00003 0.00001 0.04209 47 3PZ -0.01406 -0.00006 -0.25111 -0.10988 -0.00002 48 4S 0.01123 0.00002 -0.04773 0.10028 -0.00002 49 4PX -0.00003 0.05006 0.00004 0.00010 -0.21148 50 4PY -0.00012 0.13264 -0.00005 -0.00002 0.01525 51 4PZ 0.11857 0.00010 0.46640 0.20860 0.00002 52 5XX 0.04437 0.00000 -0.01285 -0.02286 0.00000 53 5YY -0.04712 0.00000 0.04527 0.05724 0.00001 54 5ZZ -0.00740 0.00000 -0.02566 -0.04241 -0.00001 55 5XY 0.10241 0.00001 0.03505 -0.04933 -0.00002 56 5XZ 0.00001 0.01148 0.00000 -0.00003 0.07879 57 5YZ -0.00001 0.05068 0.00000 0.00000 -0.00788 58 4 Cl 1S -0.00401 0.00000 0.01667 0.00488 0.00000 59 2S 0.01688 0.00000 -0.05097 -0.01969 -0.00001 60 2PX 0.00000 0.02030 -0.00001 -0.00001 0.03709 61 2PY 0.00003 0.04641 0.00000 0.00000 -0.01294 62 2PZ 0.00019 -0.00001 -0.05988 -0.02593 -0.00001 63 3S -0.05265 0.00001 0.26391 0.06619 -0.00001 64 3PX 0.00000 -0.07224 0.00003 0.00002 -0.10550 65 3PY -0.00010 -0.16392 0.00000 0.00001 0.04208 66 3PZ -0.01406 0.00005 0.25109 0.10987 0.00006 67 4S -0.01122 0.00002 -0.04776 0.10027 0.00010 68 4PX 0.00002 0.05006 -0.00009 0.00003 -0.21148 69 4PY 0.00005 0.13264 0.00001 -0.00004 0.01525 70 4PZ 0.11857 -0.00006 -0.46638 -0.20858 -0.00010 71 5XX -0.04436 -0.00001 -0.01285 -0.02286 -0.00001 72 5YY 0.04711 0.00000 0.04527 0.05724 0.00002 73 5ZZ 0.00739 0.00000 -0.02566 -0.04241 -0.00001 74 5XY -0.10241 -0.00001 0.03505 -0.04933 -0.00002 75 5XZ 0.00001 -0.01148 -0.00001 0.00001 -0.07879 76 5YZ -0.00001 -0.05068 0.00001 -0.00001 0.00788 77 5 Cl 1S 0.00000 -0.01440 -0.01688 0.00639 0.00911 78 2S 0.00000 0.05652 0.06251 -0.03588 -0.04068 79 2PX 0.00000 0.03744 0.00747 -0.03798 0.00133 80 2PY 0.00000 -0.04849 -0.06005 0.04439 0.06612 81 2PZ 0.05435 0.00000 0.00000 0.00000 0.00000 82 3S 0.00001 -0.19052 -0.23195 0.05824 0.10942 83 3PX 0.00001 -0.13114 -0.03670 0.12896 0.00252 84 3PY -0.00001 0.21670 0.25719 -0.19805 -0.27646 85 3PZ -0.17914 -0.00002 0.00001 0.00000 0.00000 86 4S 0.00000 -0.18176 -0.18034 0.20623 0.14893 87 4PX -0.00001 0.08977 0.10553 -0.07790 -0.02701 88 4PY 0.00001 -0.63434 -0.66700 0.54952 0.60636 89 4PZ 0.04582 0.00002 0.00001 -0.00001 -0.00001 90 5XX 0.00000 -0.05845 -0.04098 0.05396 0.02719 91 5YY 0.00001 0.10285 0.08730 -0.11128 -0.09827 92 5ZZ -0.00001 -0.04165 -0.05210 0.03563 0.05966 93 5XY -0.00001 0.01864 -0.04152 -0.05956 0.05846 94 5XZ -0.02153 0.00000 0.00000 0.00000 0.00000 95 5YZ 0.09558 0.00000 -0.00001 0.00000 0.00001 96 6 Cl 1S 0.00000 0.01439 -0.01688 0.00639 -0.00911 97 2S 0.00000 -0.05651 0.06252 -0.03589 0.04066 98 2PX 0.00000 0.03745 -0.00748 0.03798 0.00133 99 2PY 0.00001 -0.04848 0.06007 -0.04440 0.06609 100 2PZ 0.05438 0.00000 0.00000 0.00000 0.00000 101 3S -0.00002 0.19048 -0.23202 0.05825 -0.10934 102 3PX 0.00001 -0.13115 0.03675 -0.12897 0.00252 103 3PY -0.00002 0.21665 -0.25725 0.19812 -0.27633 104 3PZ -0.17926 -0.00002 0.00000 0.00000 0.00000 105 4S -0.00001 0.18174 -0.18036 0.20631 -0.14889 106 4PX -0.00001 0.08982 -0.10563 0.07796 -0.02706 107 4PY 0.00004 -0.63422 0.66714 -0.54972 0.60606 108 4PZ 0.04587 0.00002 -0.00001 0.00001 -0.00001 109 5XX 0.00000 0.05845 -0.04098 0.05398 -0.02716 110 5YY 0.00000 -0.10284 0.08731 -0.11133 0.09821 111 5ZZ 0.00000 0.04164 -0.05211 0.03565 -0.05964 112 5XY 0.00000 -0.01863 -0.04154 -0.05950 -0.05850 113 5XZ 0.02156 0.00000 0.00000 0.00000 0.00000 114 5YZ -0.09563 0.00000 -0.00001 0.00000 -0.00001 115 7 Br 1S 0.00000 -0.01132 0.00677 0.00942 -0.00780 116 2S -0.00001 0.09160 -0.05634 -0.07585 0.06422 117 3S 0.00001 -0.14276 0.09034 0.11751 -0.10179 118 4S 0.00001 -0.14824 0.08678 0.12416 -0.10162 119 5S -0.00007 1.01148 -0.72679 -0.75492 0.70022 120 6S 0.00014 -1.85668 1.43595 1.34540 -1.32925 121 7PX 0.00000 0.01861 -0.00892 -0.02600 0.02412 122 7PY 0.00000 0.01306 -0.00794 -0.01411 0.01349 123 7PZ 0.01402 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00000 -0.05955 0.02857 0.08336 -0.07734 125 8PY 0.00000 -0.04194 0.02516 0.04541 -0.04329 126 8PZ -0.04418 0.00000 0.00000 0.00000 0.00000 127 9PX -0.00001 0.19481 -0.09344 -0.28081 0.25797 128 9PY 0.00000 0.14422 -0.07051 -0.16363 0.14972 129 9PZ 0.10477 0.00001 0.00000 0.00000 0.00000 130 10PX 0.00000 -0.24864 0.06194 0.35354 -0.24513 131 10PY 0.00000 -0.17417 0.05238 0.25314 -0.22776 132 10PZ 0.02094 0.00000 0.00000 0.00000 0.00000 133 11XX 0.00000 0.05428 -0.08306 -0.06352 0.09859 134 11YY -0.00001 0.09027 -0.01616 -0.06109 0.02824 135 11ZZ -0.00001 0.06127 -0.03180 -0.04445 0.02068 136 11XY 0.00000 0.03046 0.01434 -0.04141 0.01810 137 11XZ -0.06966 0.00000 0.00000 0.00000 0.00000 138 11YZ -0.03769 0.00000 0.00000 0.00000 0.00000 139 12XX -0.00006 0.50580 -0.13925 -0.31189 0.09424 140 12YY -0.00002 0.33335 -0.43076 -0.30420 0.40167 141 12ZZ -0.00001 0.43993 -0.35674 -0.34830 0.40813 142 12XY 0.00000 -0.10333 -0.07336 0.14035 -0.04599 143 12XZ 0.29658 0.00002 0.00001 0.00002 -0.00001 144 12YZ 0.15685 0.00001 0.00000 0.00001 0.00000 145 8 Br 1S 0.00000 0.01132 0.00677 0.00942 0.00780 146 2S 0.00001 -0.09162 -0.05632 -0.07581 -0.06425 147 3S -0.00001 0.14279 0.09031 0.11745 0.10185 148 4S -0.00001 0.14828 0.08675 0.12411 0.10167 149 5S 0.00008 -1.01170 -0.72652 -0.75454 -0.70064 150 6S -0.00015 1.85709 1.43545 1.34467 1.33009 151 7PX 0.00000 0.01862 0.00892 0.02598 0.02413 152 7PY 0.00000 0.01307 0.00794 0.01411 0.01350 153 7PZ 0.01403 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00001 -0.05956 -0.02856 -0.08332 -0.07737 155 8PY 0.00000 -0.04195 -0.02516 -0.04540 -0.04332 156 8PZ -0.04421 0.00000 0.00000 0.00000 0.00000 157 9PX -0.00002 0.19484 0.09339 0.28067 0.25805 158 9PY -0.00001 0.14425 0.07050 0.16359 0.14982 159 9PZ 0.10484 0.00001 0.00000 0.00001 0.00000 160 10PX 0.00001 -0.24866 -0.06190 -0.35340 -0.24520 161 10PY 0.00001 -0.17421 -0.05238 -0.25309 -0.22787 162 10PZ 0.02093 -0.00001 0.00000 -0.00001 -0.00001 163 11XX 0.00000 -0.05429 -0.08306 -0.06346 -0.09861 164 11YY 0.00001 -0.09028 -0.01613 -0.06109 -0.02827 165 11ZZ 0.00001 -0.06128 -0.03179 -0.04443 -0.02070 166 11XY 0.00000 -0.03046 0.01434 -0.04140 -0.01813 167 11XZ 0.06968 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.03771 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00007 -0.50588 -0.13908 -0.31186 -0.09444 170 12YY 0.00002 -0.33344 -0.43070 -0.30392 -0.40182 171 12ZZ 0.00002 -0.44004 -0.35664 -0.34811 -0.40832 172 12XY 0.00000 0.10329 -0.07333 0.14033 0.04608 173 12XZ -0.29670 -0.00002 0.00002 0.00001 0.00001 174 12YZ -0.15693 -0.00001 0.00000 0.00000 0.00001 106 107 108 109 110 V V V V V Eigenvalues -- 0.37021 0.37255 0.38294 0.39163 0.41087 1 1 Al 1S 0.00000 0.00000 -0.00531 0.00192 0.00000 2 2S 0.00003 0.00000 0.00253 -0.08039 0.00000 3 2PX 0.00001 0.00000 -0.01132 -0.01195 0.00000 4 2PY 0.00000 0.00001 -0.01245 -0.00602 0.00000 5 2PZ -0.00204 -0.03919 -0.00002 0.00001 0.01981 6 3S 0.00010 0.00016 -0.25101 -0.19644 -0.00004 7 3PX -0.00010 0.00001 0.02636 0.14270 0.00003 8 3PY 0.00000 0.00001 -0.01256 0.06278 -0.00003 9 3PZ -0.03059 0.31132 0.00014 -0.00004 -0.04675 10 4S 0.00032 -0.00072 0.75712 -0.43245 0.00013 11 4PX -0.00009 0.00062 -0.97104 -0.16983 0.00010 12 4PY 0.00006 -0.00006 0.00305 -0.18940 0.00013 13 4PZ -0.67359 -0.30642 -0.00012 -0.00021 0.21097 14 5XX 0.00011 -0.00010 0.14586 -0.21392 0.00003 15 5YY 0.00007 -0.00003 0.03879 -0.18615 0.00004 16 5ZZ -0.00005 0.00002 -0.02528 0.10150 -0.00005 17 5XY 0.00000 0.00018 -0.35660 -0.06916 0.00002 18 5XZ 0.47667 -0.33232 -0.00020 0.00018 -0.05117 19 5YZ -0.26360 0.23588 0.00013 -0.00007 0.37019 20 2 Al 1S 0.00000 0.00000 0.00531 0.00192 0.00000 21 2S 0.00003 0.00000 -0.00255 -0.08039 0.00000 22 2PX -0.00001 0.00001 -0.01132 0.01196 0.00000 23 2PY 0.00000 0.00001 -0.01245 0.00603 -0.00001 24 2PZ 0.00206 -0.03918 -0.00002 0.00000 -0.01982 25 3S 0.00017 -0.00019 0.25094 -0.19650 -0.00004 26 3PX 0.00010 -0.00001 0.02633 -0.14270 -0.00003 27 3PY 0.00000 0.00001 -0.01262 -0.06282 0.00004 28 3PZ 0.03041 0.31131 0.00013 0.00003 0.04678 29 4S 0.00005 0.00069 -0.75721 -0.43236 0.00016 30 4PX -0.00012 0.00062 -0.97100 0.17000 -0.00012 31 4PY -0.00002 -0.00006 0.00299 0.18945 -0.00015 32 4PZ 0.67378 -0.30593 -0.00020 0.00023 -0.21104 33 5XX 0.00008 0.00007 -0.14595 -0.21388 0.00002 34 5YY 0.00007 0.00002 -0.03879 -0.18619 0.00004 35 5ZZ -0.00005 0.00000 0.02529 0.10151 -0.00005 36 5XY 0.00005 -0.00018 0.35661 -0.06924 0.00003 37 5XZ 0.47650 0.33264 0.00013 0.00016 -0.05115 38 5YZ -0.26334 -0.23611 -0.00011 -0.00006 0.37014 39 3 Cl 1S -0.00001 0.02950 0.00002 0.00897 0.00000 40 2S 0.00004 -0.07655 -0.00004 -0.02844 0.00000 41 2PX 0.02327 0.00003 -0.05000 0.00002 0.07201 42 2PY 0.05427 0.00000 0.02441 0.00002 0.07596 43 2PZ -0.00007 0.06834 0.00005 0.14103 -0.00001 44 3S -0.00016 0.50619 0.00029 0.14571 0.00000 45 3PX -0.02274 -0.00011 0.20623 -0.00006 -0.30298 46 3PY -0.23099 -0.00001 -0.09710 -0.00010 -0.29800 47 3PZ 0.00030 -0.31775 -0.00022 -0.55667 0.00003 48 4S -0.00004 -0.45006 -0.00029 0.04770 0.00000 49 4PX -0.50420 0.00008 -0.35781 -0.00010 0.50219 50 4PY 0.43814 -0.00003 0.21721 0.00015 0.31758 51 4PZ -0.00055 0.72708 0.00043 0.72734 0.00002 52 5XX -0.00001 -0.02244 -0.00001 0.03349 -0.00002 53 5YY -0.00005 0.13886 0.00007 0.03184 0.00002 54 5ZZ 0.00006 -0.08583 -0.00004 -0.07400 -0.00001 55 5XY -0.00002 0.04423 0.00002 -0.00080 0.00002 56 5XZ 0.20942 0.00003 0.08391 0.00007 -0.10569 57 5YZ -0.07724 -0.00001 0.01218 -0.00003 -0.04066 58 4 Cl 1S 0.00001 -0.02950 -0.00002 0.00897 0.00000 59 2S -0.00001 0.07654 0.00003 -0.02845 0.00000 60 2PX -0.02328 0.00003 -0.04999 -0.00002 -0.07201 61 2PY -0.05426 -0.00003 0.02442 -0.00003 -0.07596 62 2PZ 0.00003 0.06833 0.00002 -0.14103 0.00002 63 3S 0.00017 -0.50619 -0.00028 0.14576 -0.00008 64 3PX 0.02277 -0.00015 0.20621 0.00004 0.30298 65 3PY 0.23097 0.00013 -0.09714 0.00014 0.29799 66 3PZ -0.00010 -0.31771 -0.00010 0.55669 -0.00007 67 4S -0.00034 0.45010 0.00034 0.04763 0.00011 68 4PX 0.50412 0.00050 -0.35785 0.00014 -0.50219 69 4PY -0.43809 -0.00027 0.21728 -0.00024 -0.31757 70 4PZ 0.00010 0.72701 0.00026 -0.72737 0.00008 71 5XX -0.00002 0.02244 0.00002 0.03349 -0.00001 72 5YY 0.00003 -0.13886 -0.00007 0.03184 -0.00001 73 5ZZ 0.00001 0.08582 0.00002 -0.07400 0.00001 74 5XY 0.00002 -0.04423 -0.00003 -0.00080 0.00000 75 5XZ 0.20941 0.00013 -0.08393 0.00008 -0.10569 76 5YZ -0.07724 0.00000 -0.01216 -0.00004 -0.04066 77 5 Cl 1S 0.00000 0.00001 -0.00924 -0.00231 0.00000 78 2S 0.00001 -0.00002 0.02027 -0.01437 0.00000 79 2PX 0.00000 0.00002 -0.05250 -0.01866 0.00001 80 2PY -0.00003 0.00004 -0.06423 0.07291 0.00000 81 2PZ -0.00202 -0.06230 -0.00004 0.00000 0.07411 82 3S -0.00001 0.00010 -0.16449 -0.08695 0.00000 83 3PX 0.00000 -0.00008 0.20137 0.07418 -0.00003 84 3PY 0.00013 -0.00015 0.24630 -0.29707 0.00001 85 3PZ 0.01311 0.22130 0.00013 0.00000 -0.29713 86 4S -0.00008 -0.00001 0.08243 0.28592 0.00000 87 4PX 0.00003 0.00002 -0.13708 -0.09631 0.00002 88 4PY -0.00023 0.00021 -0.30788 0.52382 -0.00003 89 4PZ 0.01808 -0.12846 -0.00009 0.00000 0.37051 90 5XX -0.00001 0.00001 -0.02029 0.01276 0.00000 91 5YY 0.00003 -0.00001 0.01383 -0.08495 0.00000 92 5ZZ -0.00002 0.00001 -0.01869 0.02451 0.00000 93 5XY -0.00001 -0.00003 0.07330 0.03309 0.00000 94 5XZ -0.00471 -0.00888 -0.00001 0.00000 0.00397 95 5YZ 0.06596 -0.05056 -0.00003 0.00002 -0.10465 96 6 Cl 1S 0.00000 -0.00001 0.00924 -0.00231 0.00000 97 2S 0.00001 0.00001 -0.02027 -0.01437 0.00000 98 2PX -0.00001 0.00002 -0.05249 0.01867 -0.00001 99 2PY 0.00003 0.00003 -0.06426 -0.07290 0.00000 100 2PZ 0.00207 -0.06229 -0.00004 0.00000 -0.07412 101 3S 0.00002 -0.00010 0.16443 -0.08699 0.00001 102 3PX 0.00003 -0.00008 0.20133 -0.07425 0.00004 103 3PY -0.00010 -0.00013 0.24641 0.29702 0.00000 104 3PZ -0.01326 0.22127 0.00013 -0.00002 0.29716 105 4S -0.00009 0.00003 -0.08228 0.28597 -0.00001 106 4PX -0.00004 0.00003 -0.13703 0.09640 -0.00003 107 4PY 0.00019 0.00018 -0.30809 -0.52378 0.00003 108 4PZ -0.01801 -0.12843 -0.00007 0.00000 -0.37052 109 5XX 0.00000 -0.00001 0.02031 0.01275 0.00000 110 5YY 0.00003 0.00001 -0.01389 -0.08495 0.00001 111 5ZZ -0.00002 -0.00001 0.01870 0.02451 0.00000 112 5XY -0.00002 0.00004 -0.07329 0.03312 0.00000 113 5XZ -0.00472 0.00887 0.00001 0.00000 0.00398 114 5YZ 0.06591 0.05063 0.00003 0.00002 -0.10464 115 7 Br 1S 0.00000 0.00000 0.00698 -0.00019 0.00000 116 2S -0.00001 0.00003 -0.06020 -0.00074 0.00001 117 3S 0.00002 -0.00005 0.09996 0.00544 -0.00002 118 4S 0.00002 -0.00005 0.08747 -0.00751 -0.00002 119 5S -0.00003 0.00054 -1.11161 -0.37009 0.00027 120 6S -0.00002 -0.00110 2.35897 0.95850 -0.00063 121 7PX -0.00001 0.00000 0.00110 0.02478 0.00000 122 7PY -0.00001 0.00001 -0.01289 0.01587 0.00000 123 7PZ 0.02347 0.00705 0.00000 0.00001 0.02336 124 8PX 0.00003 0.00000 -0.00399 -0.07990 0.00001 125 8PY 0.00003 -0.00003 0.04096 -0.05122 0.00000 126 8PZ -0.07514 -0.02234 0.00000 -0.00004 -0.07519 127 9PX -0.00011 0.00000 0.04392 0.28587 -0.00003 128 9PY -0.00009 0.00007 -0.10445 0.18779 0.00001 129 9PZ 0.23243 0.05799 0.00001 0.00014 0.25437 130 10PX 0.00016 0.00004 -0.18211 -0.42590 0.00008 131 10PY 0.00011 0.00002 -0.08464 -0.29824 0.00003 132 10PZ -0.11635 0.00996 0.00001 -0.00010 -0.28107 133 11XX -0.00001 0.00000 0.00410 0.00593 0.00000 134 11YY -0.00001 0.00004 -0.07993 -0.00653 0.00001 135 11ZZ 0.00000 0.00004 -0.07001 -0.00745 0.00002 136 11XY -0.00002 -0.00001 0.03665 0.05022 -0.00001 137 11XZ 0.00741 0.00816 0.00001 0.00000 0.00983 138 11YZ 0.04409 -0.04985 -0.00003 0.00003 0.06793 139 12XX -0.00001 0.00034 -0.68072 -0.16997 0.00015 140 12YY 0.00000 0.00014 -0.30835 -0.12828 0.00011 141 12ZZ -0.00003 0.00018 -0.37620 -0.14661 0.00007 142 12XY 0.00006 0.00005 -0.13771 -0.19853 0.00003 143 12XZ -0.03556 -0.04091 -0.00004 -0.00001 -0.03563 144 12YZ -0.20244 0.22542 0.00016 -0.00015 -0.30682 145 8 Br 1S 0.00000 0.00000 -0.00698 -0.00018 0.00000 146 2S 0.00000 -0.00003 0.06020 -0.00075 0.00001 147 3S 0.00001 0.00005 -0.09997 0.00545 -0.00003 148 4S 0.00001 0.00004 -0.08748 -0.00750 -0.00002 149 5S 0.00009 -0.00052 1.11163 -0.37027 0.00034 150 6S -0.00027 0.00109 -2.35896 0.95892 -0.00077 151 7PX 0.00001 0.00000 0.00109 -0.02479 0.00000 152 7PY 0.00001 0.00001 -0.01289 -0.01587 0.00000 153 7PZ -0.02348 0.00704 0.00001 -0.00001 -0.02335 154 8PX -0.00004 0.00000 -0.00398 0.07991 -0.00001 155 8PY -0.00002 -0.00002 0.04096 0.05123 0.00000 156 8PZ 0.07516 -0.02230 -0.00002 0.00004 0.07518 157 9PX 0.00013 -0.00002 0.04387 -0.28591 0.00004 158 9PY 0.00008 0.00005 -0.10442 -0.18782 -0.00001 159 9PZ -0.23247 0.05787 0.00005 -0.00014 -0.25435 160 10PX -0.00018 0.00007 -0.18204 0.42596 -0.00011 161 10PY -0.00013 0.00005 -0.08467 0.29832 -0.00004 162 10PZ 0.11636 0.00999 -0.00002 0.00010 0.28107 163 11XX -0.00001 0.00000 -0.00409 0.00593 0.00000 164 11YY 0.00000 -0.00004 0.07991 -0.00653 0.00001 165 11ZZ 0.00001 -0.00004 0.07002 -0.00746 0.00002 166 11XY -0.00002 0.00002 -0.03666 0.05023 -0.00001 167 11XZ 0.00742 -0.00817 -0.00001 0.00000 0.00981 168 11YZ 0.04407 0.04986 0.00002 0.00003 0.06795 169 12XX 0.00007 -0.00034 0.68070 -0.17005 0.00019 170 12YY 0.00003 -0.00013 0.30843 -0.12836 0.00013 171 12ZZ 0.00000 -0.00017 0.37615 -0.14667 0.00010 172 12XY 0.00008 -0.00006 0.13773 -0.19857 0.00004 173 12XZ -0.03560 0.04095 0.00004 -0.00002 -0.03554 174 12YZ -0.20233 -0.22549 -0.00011 -0.00012 -0.30691 111 112 113 114 115 V V V V V Eigenvalues -- 0.42619 0.43974 0.44055 0.44178 0.44411 1 1 Al 1S 0.00849 0.00000 0.00000 -0.00116 0.00064 2 2S 0.02807 0.00001 -0.00003 0.03180 0.01695 3 2PX -0.02613 0.00000 0.00000 0.00934 0.01124 4 2PY 0.02062 -0.00001 0.00001 -0.01364 -0.03711 5 2PZ 0.00000 0.00070 0.00111 0.00000 0.00000 6 3S 0.48822 0.00004 -0.00010 0.06664 0.09464 7 3PX 0.06451 -0.00001 0.00006 -0.08301 -0.04514 8 3PY -0.11565 0.00003 0.00000 -0.00616 0.14863 9 3PZ 0.00001 -0.09897 0.13849 0.00010 0.00001 10 4S -1.70119 -0.00008 0.00011 -0.00753 -0.28880 11 4PX 0.43548 -0.00002 -0.00007 0.06038 -0.07591 12 4PY -0.45311 -0.00006 0.00017 -0.17491 -0.21161 13 4PZ -0.00002 -0.29763 0.00352 0.00000 0.00007 14 5XX -0.31006 0.00000 0.00001 -0.00740 0.01709 15 5YY 0.07928 -0.00003 0.00004 -0.04661 -0.11004 16 5ZZ 0.13819 0.00004 -0.00012 0.15257 0.10759 17 5XY -0.10701 -0.00002 -0.00003 0.05338 -0.10173 18 5XZ 0.00001 0.02364 -0.01964 -0.00001 -0.00002 19 5YZ -0.00003 0.05375 0.01670 0.00000 0.00002 20 2 Al 1S -0.00849 0.00000 0.00000 0.00116 0.00064 21 2S -0.02806 0.00000 0.00003 -0.03176 0.01700 22 2PX -0.02613 0.00000 0.00000 0.00932 -0.01125 23 2PY 0.02064 0.00001 0.00000 -0.01358 0.03712 24 2PZ 0.00000 -0.00070 0.00110 0.00000 0.00000 25 3S -0.48812 0.00002 0.00007 -0.06633 0.09486 26 3PX 0.06455 0.00001 0.00004 -0.08285 0.04524 27 3PY -0.11570 -0.00004 0.00004 -0.00640 -0.14858 28 3PZ 0.00000 0.09857 0.13878 0.00009 0.00001 29 4S 1.70095 -0.00006 -0.00004 0.00676 -0.28924 30 4PX 0.43562 0.00004 -0.00012 0.06079 0.07567 31 4PY -0.45296 0.00004 0.00011 -0.17424 0.21195 32 4PZ -0.00003 0.29764 0.00437 -0.00003 -0.00007 33 5XX 0.31006 0.00001 -0.00001 0.00741 0.01702 34 5YY -0.07928 -0.00003 -0.00002 0.04645 -0.11009 35 5ZZ -0.13815 0.00002 0.00009 -0.15233 0.10782 36 5XY 0.10693 -0.00003 0.00006 -0.05364 -0.10166 37 5XZ -0.00001 0.02358 0.01971 0.00000 -0.00001 38 5YZ 0.00002 0.05382 -0.01652 0.00000 0.00002 39 3 Cl 1S 0.00000 0.00001 -0.00333 0.00000 0.00181 40 2S 0.00000 0.00002 -0.01123 0.00000 0.00226 41 2PX -0.00613 -0.05411 -0.00008 -0.00463 0.00002 42 2PY -0.04622 0.06753 0.00007 0.04132 -0.00003 43 2PZ 0.00000 -0.00013 0.09348 0.00008 0.03526 44 3S -0.00001 0.00018 -0.10146 -0.00001 0.04758 45 3PX 0.01266 0.22637 0.00032 0.02694 -0.00010 46 3PY 0.18170 -0.26831 -0.00029 -0.16902 0.00011 47 3PZ 0.00002 0.00052 -0.38549 -0.00031 -0.12463 48 4S 0.00004 -0.00043 0.26748 0.00010 -0.02790 49 4PX 0.23738 -0.39770 -0.00053 -0.08407 0.00015 50 4PY -0.23358 0.35202 0.00035 0.25811 -0.00017 51 4PZ -0.00005 -0.00080 0.56500 0.00035 0.06817 52 5XX 0.00002 0.00001 -0.00429 0.00003 0.02849 53 5YY -0.00002 -0.00007 0.04551 0.00000 -0.04353 54 5ZZ 0.00001 0.00015 -0.09746 -0.00004 0.03322 55 5XY -0.00001 -0.00004 0.01717 -0.00003 -0.01692 56 5XZ -0.00714 0.03171 0.00002 0.04229 -0.00004 57 5YZ 0.03247 -0.02882 -0.00001 -0.03964 0.00002 58 4 Cl 1S 0.00000 0.00000 0.00333 0.00000 0.00181 59 2S 0.00000 -0.00002 0.01123 0.00001 0.00226 60 2PX -0.00613 0.05411 0.00007 -0.00464 -0.00001 61 2PY -0.04622 -0.06753 -0.00013 0.04133 -0.00001 62 2PZ 0.00001 -0.00015 0.09349 0.00006 -0.03525 63 3S 0.00000 -0.00009 0.10144 0.00006 0.04759 64 3PX 0.01267 -0.22636 -0.00032 0.02696 0.00002 65 3PY 0.18168 0.26830 0.00051 -0.16904 0.00006 66 3PZ -0.00004 0.00061 -0.38551 -0.00028 0.12458 67 4S 0.00000 0.00030 -0.26743 -0.00014 -0.02792 68 4PX 0.23736 0.39768 0.00059 -0.08410 -0.00005 69 4PY -0.23356 -0.35200 -0.00068 0.25813 -0.00009 70 4PZ 0.00007 -0.00086 0.56499 0.00049 -0.06809 71 5XX -0.00002 0.00001 0.00428 0.00001 0.02848 72 5YY 0.00000 0.00006 -0.04551 -0.00007 -0.04353 73 5ZZ 0.00003 -0.00013 0.09745 0.00011 0.03323 74 5XY -0.00001 0.00002 -0.01716 -0.00004 -0.01692 75 5XZ 0.00715 0.03170 0.00007 -0.04230 0.00001 76 5YZ -0.03246 -0.02882 -0.00007 0.03964 -0.00001 77 5 Cl 1S 0.01244 0.00000 0.00000 0.00483 -0.00634 78 2S -0.01287 0.00000 0.00000 -0.00180 0.00203 79 2PX -0.04267 -0.00001 -0.00001 0.02724 -0.05000 80 2PY 0.05480 -0.00002 0.00005 -0.06004 -0.07830 81 2PZ 0.00000 0.06856 -0.04583 -0.00004 -0.00001 82 3S 0.26036 -0.00004 -0.00009 0.10512 -0.14547 83 3PX 0.16963 0.00006 0.00004 -0.10601 0.19711 84 3PY -0.19823 0.00007 -0.00019 0.23214 0.29306 85 3PZ 0.00000 -0.26861 0.17530 0.00016 0.00004 86 4S -0.31305 0.00006 0.00019 -0.23023 0.24121 87 4PX -0.23135 -0.00007 -0.00004 0.12371 -0.23580 88 4PY 0.11916 -0.00004 0.00021 -0.25419 -0.19245 89 4PZ 0.00000 0.34655 -0.18945 -0.00018 -0.00005 90 5XX -0.01959 0.00000 -0.00001 0.01414 -0.00318 91 5YY 0.08955 -0.00001 -0.00001 0.00897 -0.04274 92 5ZZ -0.01611 0.00001 -0.00001 0.01384 0.01429 93 5XY 0.02327 0.00001 0.00001 -0.01611 0.03702 94 5XZ 0.00000 -0.01706 0.00874 0.00001 0.00000 95 5YZ 0.00000 -0.02505 0.00182 0.00001 0.00000 96 6 Cl 1S -0.01244 0.00000 0.00001 -0.00483 -0.00633 97 2S 0.01287 0.00000 0.00000 0.00180 0.00202 98 2PX -0.04264 0.00002 -0.00002 0.02733 0.04996 99 2PY 0.05482 0.00002 0.00004 -0.05993 0.07836 100 2PZ 0.00000 -0.06843 -0.04605 -0.00004 0.00000 101 3S -0.26039 -0.00006 0.00011 -0.10521 -0.14525 102 3PX 0.16950 -0.00006 0.00008 -0.10635 -0.19697 103 3PY -0.19832 -0.00006 -0.00015 0.23173 -0.29330 104 3PZ -0.00001 0.26814 0.17614 0.00014 -0.00001 105 4S 0.31310 0.00010 -0.00023 0.23034 0.24081 106 4PX -0.23120 0.00007 -0.00009 0.12407 0.23567 107 4PY 0.11923 0.00002 0.00019 -0.25391 0.19275 108 4PZ 0.00002 -0.34605 -0.19051 -0.00015 0.00002 109 5XX 0.01959 0.00000 0.00001 -0.01415 -0.00317 110 5YY -0.08955 -0.00002 0.00002 -0.00900 -0.04270 111 5ZZ 0.01611 0.00000 0.00001 -0.01381 0.01431 112 5XY -0.02322 0.00001 -0.00002 0.01618 0.03701 113 5XZ 0.00000 -0.01703 -0.00879 -0.00001 0.00000 114 5YZ 0.00000 -0.02505 -0.00190 -0.00001 0.00000 115 7 Br 1S 0.00421 0.00000 0.00000 0.00035 0.00236 116 2S -0.03749 -0.00001 0.00000 -0.00325 -0.02034 117 3S 0.06436 0.00001 -0.00001 0.00575 0.03374 118 4S 0.05048 0.00001 -0.00001 0.00429 0.02976 119 5S -0.90970 -0.00013 0.00010 -0.06518 -0.43486 120 6S 2.05898 0.00029 -0.00024 0.15750 0.96143 121 7PX -0.02148 0.00000 0.00000 -0.00412 0.00774 122 7PY 0.03357 0.00000 0.00000 -0.00103 -0.01483 123 7PZ 0.00000 0.01972 0.00801 0.00001 0.00000 124 8PX 0.06849 0.00000 -0.00001 0.01318 -0.02510 125 8PY -0.10812 0.00001 0.00000 0.00340 0.04760 126 8PZ -0.00001 -0.06326 -0.02576 -0.00002 0.00000 127 9PX -0.18528 0.00001 0.00004 -0.03972 0.09780 128 9PY 0.37381 -0.00003 0.00001 -0.01544 -0.14947 129 9PZ 0.00003 0.20020 0.08521 0.00006 0.00000 130 10PX -0.10451 -0.00003 0.00000 0.00725 -0.18294 131 10PY -0.46236 0.00001 -0.00002 0.02977 0.08917 132 10PZ -0.00003 -0.13312 -0.08646 -0.00006 -0.00002 133 11XX -0.05455 0.00001 -0.00004 0.05786 0.06453 134 11YY 0.03600 0.00001 -0.00005 0.05371 0.01569 135 11ZZ -0.07533 -0.00003 0.00010 -0.12016 -0.12930 136 11XY 0.04336 -0.00001 0.00006 -0.07714 -0.04921 137 11XZ 0.00000 0.08261 -0.06878 -0.00005 -0.00002 138 11YZ 0.00001 -0.09620 0.11221 0.00009 0.00004 139 12XX -0.24022 -0.00011 0.00025 -0.30715 -0.53981 140 12YY -0.67658 -0.00010 0.00028 -0.29172 -0.32239 141 12ZZ -0.17955 0.00005 -0.00041 0.51797 0.34616 142 12XY -0.16870 0.00004 -0.00028 0.35803 0.24018 143 12XZ -0.00001 -0.38732 0.32213 0.00023 0.00007 144 12YZ -0.00006 0.44356 -0.51948 -0.00041 -0.00017 145 8 Br 1S -0.00421 0.00000 0.00000 -0.00034 0.00237 146 2S 0.03747 -0.00001 0.00000 0.00319 -0.02035 147 3S -0.06433 0.00001 0.00000 -0.00564 0.03376 148 4S -0.05046 0.00001 0.00000 -0.00420 0.02978 149 5S 0.90933 -0.00012 0.00004 0.06378 -0.43512 150 6S -2.05818 0.00026 -0.00007 -0.15439 0.96203 151 7PX -0.02149 0.00000 0.00000 -0.00412 -0.00773 152 7PY 0.03357 0.00000 0.00000 -0.00101 0.01482 153 7PZ 0.00000 -0.01975 0.00795 0.00001 0.00000 154 8PX 0.06851 0.00001 -0.00002 0.01319 0.02506 155 8PY -0.10812 -0.00001 0.00001 0.00333 -0.04757 156 8PZ -0.00001 0.06335 -0.02557 -0.00002 0.00000 157 9PX -0.18536 -0.00002 0.00005 -0.03977 -0.09768 158 9PY 0.37381 0.00004 -0.00002 -0.01525 0.14935 159 9PZ 0.00003 -0.20051 0.08460 0.00008 0.00001 160 10PX -0.10433 0.00004 -0.00004 0.00758 0.18292 161 10PY -0.46234 -0.00002 -0.00001 0.02977 -0.08905 162 10PZ -0.00003 0.13343 -0.08604 -0.00007 0.00000 163 11XX 0.05457 0.00000 0.00003 -0.05783 0.06460 164 11YY -0.03601 0.00000 0.00005 -0.05371 0.01576 165 11ZZ 0.07529 -0.00002 -0.00008 0.11998 -0.12947 166 11XY -0.04335 0.00000 -0.00005 0.07712 -0.04929 167 11XZ 0.00000 0.08243 0.06904 0.00004 0.00000 168 11YZ -0.00001 -0.09586 -0.11248 -0.00008 0.00002 169 12XX 0.23995 -0.00008 -0.00014 0.30622 -0.54024 170 12YY 0.67643 -0.00006 -0.00021 0.29094 -0.32288 171 12ZZ 0.17953 0.00000 0.00039 -0.51792 0.34677 172 12XY 0.16864 0.00001 0.00025 -0.35788 0.24055 173 12XZ 0.00002 -0.38645 -0.32332 -0.00019 0.00002 174 12YZ 0.00004 0.44197 0.52072 0.00037 -0.00008 116 117 118 119 120 V V V V V Eigenvalues -- 0.45644 0.46712 0.48426 0.50103 0.51967 1 1 Al 1S 0.00545 0.00000 0.00177 0.00000 -0.00194 2 2S 0.04649 0.00000 -0.00188 0.00000 0.00750 3 2PX 0.02194 0.00000 -0.02760 0.00001 -0.03831 4 2PY -0.03318 0.00000 0.02241 0.00000 0.02396 5 2PZ 0.00000 0.01172 0.00000 -0.03753 -0.00001 6 3S 0.36828 -0.00001 0.05374 -0.00002 -0.03140 7 3PX -0.23294 0.00000 0.09406 0.00000 0.05092 8 3PY 0.19862 0.00001 -0.03155 -0.00002 -0.00424 9 3PZ 0.00000 -0.03403 0.00001 0.16465 0.00002 10 4S -0.88118 0.00004 -0.22678 0.00005 -0.21345 11 4PX -0.58467 0.00004 -0.21150 0.00005 -0.74538 12 4PY -0.80065 0.00004 -0.20122 -0.00005 0.05137 13 4PZ 0.00001 -0.15555 -0.00001 -0.17852 -0.00008 14 5XX -0.02372 0.00001 0.08802 0.00004 0.00061 15 5YY -0.09787 0.00000 0.01209 0.00007 -0.34830 16 5ZZ 0.25718 0.00000 -0.08680 -0.00011 0.31730 17 5XY -0.21173 0.00001 -0.18475 -0.00005 0.08012 18 5XZ -0.00004 -0.02812 0.00000 -0.17666 -0.00002 19 5YZ 0.00004 0.04238 0.00001 0.37358 0.00007 20 2 Al 1S 0.00545 0.00000 0.00177 0.00000 0.00194 21 2S 0.04652 0.00000 -0.00187 0.00001 -0.00750 22 2PX -0.02194 0.00000 0.02760 0.00001 -0.03831 23 2PY 0.03318 0.00000 -0.02241 0.00000 0.02395 24 2PZ 0.00000 0.01171 0.00000 -0.03753 -0.00001 25 3S 0.36849 0.00000 0.05383 0.00002 0.03143 26 3PX 0.23297 -0.00001 -0.09404 -0.00001 0.05093 27 3PY -0.19861 0.00001 0.03157 -0.00002 -0.00426 28 3PZ 0.00000 -0.03402 -0.00001 0.16466 0.00002 29 4S -0.88191 -0.00001 -0.22697 -0.00008 0.21333 30 4PX 0.58423 0.00003 0.21127 0.00006 -0.74526 31 4PY 0.80087 0.00001 0.20131 -0.00001 0.05127 32 4PZ -0.00003 -0.15556 0.00001 -0.17847 -0.00009 33 5XX -0.02374 -0.00001 0.08805 -0.00005 -0.00060 34 5YY -0.09794 0.00000 0.01209 -0.00007 0.34825 35 5ZZ 0.25727 -0.00001 -0.08684 0.00013 -0.31725 36 5XY -0.21171 0.00000 -0.18474 0.00005 -0.08016 37 5XZ -0.00004 0.02814 0.00001 0.17671 0.00002 38 5YZ 0.00005 -0.04240 -0.00001 -0.37355 -0.00006 39 3 Cl 1S -0.00176 0.00610 -0.00074 -0.00038 0.00000 40 2S 0.01820 -0.00552 -0.00098 -0.02382 0.00000 41 2PX 0.00001 0.00000 0.00000 0.00000 -0.03465 42 2PY 0.00001 -0.00001 0.00000 0.00000 0.08339 43 2PZ -0.04740 0.02836 -0.02624 -0.06350 -0.00001 44 3S -0.00153 0.13148 -0.02079 -0.06573 0.00008 45 3PX -0.00005 -0.00001 -0.00001 -0.00001 0.14475 46 3PY -0.00002 0.00002 -0.00002 0.00000 -0.35140 47 3PZ 0.21232 -0.11781 0.10864 0.21929 0.00005 48 4S -0.03392 -0.25517 0.06271 0.20637 -0.00016 49 4PX 0.00005 -0.00001 -0.00001 0.00004 -0.18693 50 4PY 0.00004 -0.00003 0.00003 -0.00002 0.54144 51 4PZ -0.42751 0.16459 -0.13511 -0.02602 -0.00004 52 5XX 0.04756 0.06700 -0.08678 -0.14031 -0.00001 53 5YY -0.06710 -0.01216 0.01543 0.12421 0.00004 54 5ZZ 0.05713 -0.02933 0.06584 -0.03948 -0.00002 55 5XY -0.10821 0.03172 -0.00682 0.02858 -0.00001 56 5XZ -0.00004 0.00001 0.00000 -0.00001 0.02549 57 5YZ 0.00000 0.00000 0.00000 0.00002 -0.13010 58 4 Cl 1S -0.00176 -0.00610 -0.00074 0.00037 0.00000 59 2S 0.01820 0.00551 -0.00098 0.02382 0.00001 60 2PX -0.00001 0.00000 0.00000 0.00000 -0.03465 61 2PY -0.00001 0.00000 0.00000 -0.00001 0.08339 62 2PZ 0.04740 0.02836 0.02624 -0.06349 -0.00001 63 3S -0.00157 -0.13149 -0.02079 0.06572 -0.00004 64 3PX 0.00003 0.00001 -0.00001 -0.00002 0.14475 65 3PY 0.00003 0.00001 0.00000 0.00005 -0.35138 66 3PZ -0.21235 -0.11780 -0.10864 0.21928 0.00004 67 4S -0.03385 0.25518 0.06271 -0.20634 0.00007 68 4PX -0.00007 -0.00002 0.00000 0.00008 -0.18694 69 4PY -0.00002 -0.00002 0.00000 -0.00006 0.54141 70 4PZ 0.42752 0.16457 0.13511 -0.02602 0.00000 71 5XX 0.04754 -0.06700 -0.08677 0.14031 0.00000 72 5YY -0.06710 0.01217 0.01543 -0.12421 -0.00002 73 5ZZ 0.05713 0.02933 0.06584 0.03947 0.00002 74 5XY -0.10821 -0.03172 -0.00682 -0.02858 0.00001 75 5XZ -0.00001 0.00001 0.00000 0.00002 -0.02549 76 5YZ 0.00002 0.00000 0.00000 0.00000 0.13009 77 5 Cl 1S 0.00077 0.00000 0.00184 0.00000 -0.02192 78 2S -0.00359 0.00000 0.00145 0.00000 0.00001 79 2PX -0.03415 0.00000 -0.06948 -0.00001 0.06096 80 2PY -0.04029 0.00000 0.04904 0.00001 -0.00066 81 2PZ 0.00001 0.12946 0.00000 0.10836 0.00002 82 3S 0.00736 -0.00001 0.04898 0.00010 -0.51960 83 3PX 0.12986 0.00001 0.27905 0.00003 -0.24353 84 3PY 0.14508 0.00001 -0.18600 -0.00002 -0.02450 85 3PZ -0.00003 -0.50868 -0.00001 -0.44132 -0.00008 86 4S -0.06214 0.00003 -0.12339 -0.00020 0.97653 87 4PX -0.07372 -0.00002 -0.33418 -0.00005 0.34770 88 4PY -0.02803 -0.00001 0.15761 -0.00004 0.34622 89 4PZ 0.00004 0.60808 0.00001 0.60286 0.00011 90 5XX -0.00611 0.00000 -0.01480 0.00000 0.01995 91 5YY -0.02928 0.00000 0.03670 0.00003 -0.18316 92 5ZZ 0.03778 0.00000 -0.01200 0.00000 0.03280 93 5XY 0.02939 0.00000 0.08985 0.00001 0.00640 94 5XZ 0.00000 0.00012 0.00000 0.00929 0.00000 95 5YZ -0.00001 -0.04710 0.00000 -0.14691 -0.00001 96 6 Cl 1S 0.00077 0.00000 0.00185 0.00000 0.02192 97 2S -0.00359 0.00000 0.00145 0.00000 -0.00001 98 2PX 0.03415 0.00000 0.06949 -0.00001 0.06092 99 2PY 0.04030 -0.00001 -0.04905 0.00001 -0.00066 100 2PZ -0.00001 0.12945 0.00000 0.10835 0.00003 101 3S 0.00736 0.00001 0.04909 -0.00010 0.51951 102 3PX -0.12989 0.00002 -0.27907 0.00004 -0.24337 103 3PY -0.14513 0.00002 0.18601 -0.00003 -0.02451 104 3PZ 0.00004 -0.50864 -0.00001 -0.44131 -0.00011 105 4S -0.06209 -0.00003 -0.12357 0.00019 -0.97635 106 4PX 0.07379 -0.00002 0.33421 -0.00006 0.34746 107 4PY 0.02804 -0.00001 -0.15756 -0.00003 0.34619 108 4PZ -0.00004 0.60805 0.00000 0.60283 0.00014 109 5XX -0.00612 0.00000 -0.01482 0.00000 -0.01995 110 5YY -0.02927 0.00001 0.03675 -0.00003 0.18313 111 5ZZ 0.03777 0.00000 -0.01201 0.00000 -0.03280 112 5XY 0.02940 0.00000 0.08984 -0.00001 -0.00644 113 5XZ 0.00000 -0.00013 0.00000 -0.00930 0.00000 114 5YZ -0.00001 0.04710 0.00000 0.14690 0.00002 115 7 Br 1S 0.00817 0.00000 0.00223 0.00000 0.00343 116 2S -0.07219 0.00000 -0.01878 0.00000 -0.02975 117 3S 0.12304 -0.00001 0.03063 0.00000 0.05024 118 4S 0.09947 -0.00001 0.02828 0.00000 0.04106 119 5S -1.61361 0.00008 -0.42450 0.00004 -0.74551 120 6S 3.67417 -0.00019 0.95903 -0.00009 1.71899 121 7PX -0.01246 0.00000 -0.03678 0.00000 -0.00123 122 7PY -0.01855 0.00000 0.04041 0.00000 0.00280 123 7PZ 0.00000 0.06095 0.00000 -0.02520 0.00000 124 8PX 0.03945 0.00000 0.11819 0.00001 0.00371 125 8PY 0.05923 0.00001 -0.13010 -0.00002 -0.00931 126 8PZ -0.00001 -0.19596 0.00000 0.08113 0.00001 127 9PX -0.08692 0.00000 -0.37806 -0.00002 0.00557 128 9PY -0.16534 -0.00004 0.43545 0.00005 0.04819 129 9PZ 0.00003 0.64013 -0.00001 -0.26903 -0.00003 130 10PX -0.22366 0.00002 0.26932 0.00002 -0.11771 131 10PY -0.06329 0.00005 -0.45573 -0.00003 -0.18681 132 10PZ -0.00004 -0.56456 0.00001 0.26218 0.00003 133 11XX -0.04875 0.00001 -0.06083 0.00001 -0.08322 134 11YY -0.10420 0.00000 0.07244 0.00000 0.02372 135 11ZZ -0.02639 0.00001 -0.05572 -0.00001 -0.01257 136 11XY 0.07353 0.00000 0.01204 -0.00001 0.03322 137 11XZ 0.00000 0.04291 0.00000 -0.07329 -0.00002 138 11YZ 0.00001 0.02737 0.00000 0.00113 0.00000 139 12XX -0.68560 0.00002 0.06279 -0.00004 -0.00574 140 12YY -0.44068 0.00006 -0.57745 0.00001 -0.52128 141 12ZZ -0.82460 0.00002 0.02350 0.00008 -0.35777 142 12XY -0.30998 0.00002 -0.04762 0.00004 -0.14717 143 12XZ 0.00002 -0.20330 0.00002 0.35029 0.00008 144 12YZ -0.00005 -0.13021 -0.00001 -0.00242 0.00002 145 8 Br 1S 0.00817 0.00000 0.00223 0.00000 -0.00343 146 2S -0.07220 0.00000 -0.01878 0.00000 0.02974 147 3S 0.12304 0.00000 0.03062 0.00001 -0.05023 148 4S 0.09947 0.00000 0.02826 0.00000 -0.04105 149 5S -1.61369 -0.00004 -0.42440 -0.00008 0.74537 150 6S 3.67437 0.00008 0.95882 0.00019 -1.71868 151 7PX 0.01246 0.00000 0.03679 0.00000 -0.00124 152 7PY 0.01854 0.00000 -0.04041 0.00001 0.00281 153 7PZ 0.00000 0.06095 0.00000 -0.02519 0.00000 154 8PX -0.03946 0.00000 -0.11822 0.00001 0.00374 155 8PY -0.05922 0.00001 0.13011 -0.00002 -0.00932 156 8PZ 0.00000 -0.19594 0.00000 0.08112 0.00000 157 9PX 0.08695 -0.00001 0.37816 -0.00003 0.00549 158 9PY 0.16530 -0.00004 -0.43549 0.00007 0.04823 159 9PZ 0.00000 0.64009 0.00001 -0.26900 -0.00001 160 10PX 0.22367 0.00001 -0.26941 0.00004 -0.11760 161 10PY 0.06337 0.00004 0.45576 -0.00005 -0.18683 162 10PZ 0.00002 -0.56451 -0.00001 0.26214 0.00001 163 11XX -0.04875 0.00000 -0.06083 -0.00001 0.08323 164 11YY -0.10414 0.00001 0.07246 -0.00001 -0.02372 165 11ZZ -0.02646 0.00000 -0.05574 0.00001 0.01255 166 11XY 0.07351 0.00000 0.01200 0.00001 -0.03321 167 11XZ 0.00000 -0.04290 0.00000 0.07328 0.00002 168 11YZ 0.00001 -0.02738 0.00000 -0.00112 0.00000 169 12XX -0.68566 0.00000 0.06283 0.00002 0.00565 170 12YY -0.44098 -0.00005 -0.57751 -0.00002 0.52122 171 12ZZ -0.82433 0.00000 0.02363 -0.00010 0.35776 172 12XY -0.30986 -0.00001 -0.04746 -0.00004 0.14709 173 12XZ 0.00002 0.20322 0.00001 -0.35026 -0.00007 174 12YZ -0.00003 0.13028 0.00000 0.00239 -0.00001 121 122 123 124 125 V V V V V Eigenvalues -- 0.52965 0.53440 0.54000 0.54811 0.54845 1 1 Al 1S 0.00308 0.00191 0.00000 -0.00001 0.00634 2 2S -0.00457 -0.00907 -0.00001 -0.00008 0.05480 3 2PX -0.02319 0.00789 0.00000 0.00000 -0.00021 4 2PY 0.01263 -0.00316 0.00000 0.00006 -0.04102 5 2PZ 0.00000 0.00000 0.00656 -0.03213 -0.00005 6 3S 0.11593 0.07858 0.00002 -0.00079 0.53358 7 3PX 0.00695 -0.13175 0.00000 0.00005 -0.04740 8 3PY -0.00818 -0.16103 0.00000 -0.00007 0.05659 9 3PZ 0.00000 0.00001 0.03569 0.07563 0.00015 10 4S -0.78774 -0.66417 -0.00015 0.00282 -1.82923 11 4PX -0.89065 0.12842 -0.00013 -0.00047 0.30016 12 4PY -0.44888 -0.65905 -0.00019 0.00114 -0.73360 13 4PZ 0.00000 0.00004 -0.02606 -0.88158 -0.00140 14 5XX 0.00933 0.10459 -0.00003 0.00063 -0.40887 15 5YY -0.09076 -0.06001 0.00001 0.00003 -0.02724 16 5ZZ 0.01370 -0.19332 -0.00002 -0.00049 0.32916 17 5XY -0.04207 0.07072 0.00001 -0.00028 0.17539 18 5XZ -0.00001 0.00001 -0.00771 0.27974 0.00039 19 5YZ 0.00001 -0.00001 -0.19791 0.18447 0.00031 20 2 Al 1S 0.00308 -0.00191 0.00000 0.00001 -0.00634 21 2S -0.00457 0.00907 0.00000 0.00008 -0.05480 22 2PX 0.02320 0.00790 0.00000 0.00000 -0.00020 23 2PY -0.01263 -0.00317 0.00000 0.00006 -0.04101 24 2PZ 0.00000 0.00000 -0.00655 0.03213 0.00004 25 3S 0.11613 -0.07847 0.00001 0.00082 -0.53361 26 3PX -0.00687 -0.13169 -0.00001 0.00010 -0.04743 27 3PY 0.00828 -0.16106 -0.00002 -0.00009 0.05662 28 3PZ 0.00000 0.00000 -0.03584 -0.07555 -0.00008 29 4S -0.78891 0.66366 -0.00005 -0.00277 1.82916 30 4PX 0.89047 0.12901 0.00010 -0.00046 0.30026 31 4PY 0.44955 -0.65899 0.00012 0.00110 -0.73360 32 4PZ 0.00001 0.00005 0.02583 0.88171 0.00127 33 5XX 0.00937 -0.10453 -0.00004 -0.00061 0.40888 34 5YY -0.09090 0.05988 0.00003 -0.00005 0.02723 35 5ZZ 0.01363 0.19338 -0.00001 0.00049 -0.32921 36 5XY -0.04195 -0.07075 0.00000 0.00025 -0.17529 37 5XZ 0.00000 0.00000 -0.00780 0.27975 0.00046 38 5YZ 0.00001 0.00004 -0.19790 0.18452 0.00025 39 3 Cl 1S -0.00129 0.00000 0.00001 0.00000 0.00000 40 2S 0.00121 0.00000 0.00000 0.00000 0.00000 41 2PX -0.00003 0.07297 0.02211 -0.04693 0.05846 42 2PY -0.00004 0.12130 -0.13953 -0.00208 -0.01073 43 2PZ -0.03567 -0.00001 -0.00003 0.00002 -0.00001 44 3S -0.02839 -0.00003 0.00026 -0.00006 -0.00006 45 3PX 0.00012 -0.31635 -0.08235 0.20842 -0.23832 46 3PY 0.00015 -0.49966 0.56993 -0.01290 0.03738 47 3PZ 0.14505 0.00003 0.00012 -0.00006 0.00004 48 4S -0.03141 0.00002 -0.00047 0.00010 0.00015 49 4PX -0.00026 0.61310 0.06526 -0.52420 0.51822 50 4PY -0.00023 0.73849 -0.73707 0.18137 0.00367 51 4PZ -0.22347 -0.00008 -0.00022 0.00009 0.00003 52 5XX -0.09065 -0.00003 0.00003 -0.00002 0.00000 53 5YY 0.04029 0.00001 -0.00003 0.00002 0.00004 54 5ZZ 0.04492 0.00002 0.00007 -0.00002 -0.00006 55 5XY -0.01143 0.00001 -0.00005 0.00001 0.00000 56 5XZ 0.00004 -0.11756 0.04612 0.05276 -0.01889 57 5YZ 0.00005 -0.13685 0.11591 -0.11637 0.00285 58 4 Cl 1S -0.00129 0.00000 -0.00001 0.00001 0.00000 59 2S 0.00121 0.00000 0.00000 0.00000 0.00000 60 2PX -0.00003 0.07298 -0.02210 0.04676 0.05860 61 2PY -0.00006 0.12128 0.13954 0.00211 -0.01072 62 2PZ 0.03567 0.00002 -0.00002 0.00001 -0.00001 63 3S -0.02837 0.00011 -0.00034 0.00021 0.00001 64 3PX 0.00015 -0.31636 0.08232 -0.20769 -0.23896 65 3PY 0.00026 -0.49960 -0.57000 0.01280 0.03742 66 3PZ -0.14506 -0.00009 0.00011 -0.00003 0.00002 67 4S -0.03144 -0.00024 0.00063 -0.00041 -0.00002 68 4PX -0.00031 0.61311 -0.06519 0.52260 0.51982 69 4PY -0.00037 0.73841 0.73718 -0.18139 0.00311 70 4PZ 0.22349 0.00014 -0.00024 0.00009 0.00000 71 5XX -0.09065 -0.00001 -0.00005 0.00003 -0.00004 72 5YY 0.04029 0.00002 0.00005 -0.00002 0.00000 73 5ZZ 0.04492 0.00002 -0.00009 0.00004 0.00004 74 5XY -0.01143 0.00000 0.00007 -0.00004 0.00001 75 5XZ -0.00005 0.11756 0.04613 0.05270 0.01905 76 5YZ -0.00006 0.13683 0.11593 -0.11637 -0.00320 77 5 Cl 1S -0.00807 0.01203 0.00000 -0.00002 0.01034 78 2S 0.00262 -0.00582 0.00000 0.00002 -0.01443 79 2PX 0.16149 -0.07788 0.00001 -0.00007 0.04535 80 2PY 0.05304 -0.01607 0.00001 0.00010 -0.06403 81 2PZ -0.00001 -0.00001 0.13293 0.10580 0.00017 82 3S -0.18316 0.26857 0.00004 -0.00034 0.20637 83 3PX -0.64727 0.30399 -0.00003 0.00028 -0.19297 84 3PY -0.21875 0.06179 -0.00004 -0.00040 0.24843 85 3PZ 0.00004 0.00004 -0.52150 -0.43634 -0.00072 86 4S 0.29499 -0.56781 -0.00011 0.00042 -0.24140 87 4PX 0.88519 -0.31685 0.00007 -0.00043 0.28670 88 4PY 0.36434 -0.10044 0.00004 0.00036 -0.20745 89 4PZ -0.00005 -0.00005 0.58246 0.68088 0.00111 90 5XX 0.01272 0.05759 0.00001 -0.00003 0.02030 91 5YY -0.06597 0.01550 0.00000 -0.00001 -0.00132 92 5ZZ 0.00615 -0.00598 0.00000 -0.00003 0.02414 93 5XY -0.05251 -0.00433 -0.00002 0.00022 -0.13578 94 5XZ 0.00000 0.00000 0.03557 0.01660 0.00003 95 5YZ 0.00001 0.00001 0.02160 -0.11803 -0.00019 96 6 Cl 1S -0.00806 -0.01204 0.00000 0.00001 -0.01034 97 2S 0.00261 0.00582 0.00000 -0.00002 0.01443 98 2PX -0.16145 -0.07799 -0.00001 -0.00007 0.04533 99 2PY -0.05305 -0.01612 -0.00001 0.00009 -0.06403 100 2PZ 0.00001 0.00000 -0.13294 -0.10580 -0.00014 101 3S -0.18314 -0.26886 0.00004 0.00028 -0.20635 102 3PX 0.64712 0.30441 0.00005 0.00030 -0.19290 103 3PY 0.21879 0.06201 0.00004 -0.00034 0.24842 104 3PZ -0.00003 -0.00001 0.52152 0.43634 0.00059 105 4S 0.29496 0.56836 -0.00010 -0.00029 0.24138 106 4PX -0.88503 -0.31742 -0.00008 -0.00043 0.28659 107 4PY -0.36451 -0.10083 -0.00003 0.00026 -0.20742 108 4PZ 0.00004 0.00000 -0.58244 -0.68091 -0.00094 109 5XX 0.01279 -0.05758 0.00000 0.00003 -0.02032 110 5YY -0.06603 -0.01558 0.00001 -0.00002 0.00135 111 5ZZ 0.00614 0.00598 0.00000 0.00004 -0.02415 112 5XY -0.05252 0.00429 -0.00001 -0.00019 0.13575 113 5XZ 0.00000 0.00000 0.03558 0.01661 0.00002 114 5YZ 0.00000 -0.00001 0.02162 -0.11804 -0.00017 115 7 Br 1S 0.00585 0.00329 0.00000 -0.00001 0.00499 116 2S -0.04960 -0.02437 -0.00001 0.00006 -0.04075 117 3S 0.08225 0.03553 0.00002 -0.00010 0.06512 118 4S 0.07076 0.04156 0.00002 -0.00009 0.06254 119 5S -1.23427 -0.59983 -0.00027 0.00153 -0.99970 120 6S 2.88271 1.37201 0.00063 -0.00351 2.29247 121 7PX 0.01000 0.01309 0.00000 -0.00002 0.01710 122 7PY -0.00499 0.04000 0.00001 0.00000 -0.00558 123 7PZ 0.00000 0.00000 0.02879 -0.04350 -0.00007 124 8PX -0.03257 -0.04256 0.00000 0.00007 -0.05553 125 8PY 0.01565 -0.12892 -0.00002 -0.00001 0.01778 126 8PZ 0.00000 -0.00001 -0.09270 0.14034 0.00023 127 9PX 0.13249 0.16504 0.00002 -0.00028 0.21331 128 9PY -0.02664 0.43205 0.00007 0.00002 -0.04314 129 9PZ 0.00001 0.00003 0.30689 -0.47775 -0.00080 130 10PX -0.31695 -0.34737 -0.00007 0.00064 -0.44884 131 10PY -0.17817 -0.44068 -0.00010 0.00014 -0.06359 132 10PZ -0.00002 -0.00004 -0.28304 0.55748 0.00092 133 11XX -0.04488 -0.01990 0.00000 -0.00004 0.02313 134 11YY 0.01716 -0.03080 -0.00001 0.00016 -0.10467 135 11ZZ -0.08935 0.00328 -0.00001 0.00001 -0.01029 136 11XY 0.00999 -0.01024 0.00000 -0.00004 0.02846 137 11XZ 0.00000 0.00000 0.01117 -0.07117 -0.00011 138 11YZ 0.00000 0.00000 0.01382 -0.02194 -0.00003 139 12XX -0.45001 -0.18365 -0.00013 0.00097 -0.63087 140 12YY -0.74481 -0.15862 -0.00009 0.00001 -0.02209 141 12ZZ -0.25025 -0.30924 -0.00009 0.00076 -0.48269 142 12XY -0.03408 0.04900 0.00000 0.00017 -0.12139 143 12XZ -0.00002 -0.00002 -0.05781 0.34099 0.00052 144 12YZ 0.00002 0.00001 -0.06883 0.10575 0.00016 145 8 Br 1S 0.00585 -0.00329 0.00000 0.00001 -0.00499 146 2S -0.04962 0.02435 -0.00001 -0.00006 0.04074 147 3S 0.08229 -0.03549 0.00001 0.00010 -0.06511 148 4S 0.07080 -0.04152 0.00001 0.00010 -0.06253 149 5S -1.23499 0.59922 -0.00015 -0.00153 0.99962 150 6S 2.88437 -1.37056 0.00035 0.00350 -2.29235 151 7PX -0.01002 0.01307 0.00000 -0.00003 0.01709 152 7PY 0.00496 0.04001 0.00000 0.00001 -0.00558 153 7PZ 0.00000 0.00001 -0.02879 0.04351 0.00006 154 8PX 0.03263 -0.04252 0.00000 0.00010 -0.05548 155 8PY -0.01557 -0.12894 0.00000 -0.00004 0.01778 156 8PZ 0.00000 -0.00002 0.09271 -0.14036 -0.00019 157 9PX -0.13273 0.16490 0.00001 -0.00039 0.21314 158 9PY 0.02635 0.43210 -0.00002 0.00010 -0.04315 159 9PZ -0.00001 0.00007 -0.30694 0.47779 0.00064 160 10PX 0.31735 -0.34715 0.00001 0.00074 -0.44866 161 10PY 0.17854 -0.44062 0.00004 0.00006 -0.06360 162 10PZ 0.00002 -0.00008 0.28313 -0.55755 -0.00076 163 11XX -0.04491 0.01986 0.00000 0.00003 -0.02312 164 11YY 0.01714 0.03083 -0.00001 -0.00015 0.10466 165 11ZZ -0.08936 -0.00334 -0.00001 -0.00002 0.01028 166 11XY 0.00998 0.01025 0.00000 0.00004 -0.02848 167 11XZ 0.00000 -0.00001 0.01120 -0.07118 -0.00011 168 11YZ 0.00000 0.00000 0.01381 -0.02194 -0.00003 169 12XX -0.45024 0.18350 -0.00010 -0.00095 0.63081 170 12YY -0.74507 0.15813 -0.00005 -0.00007 0.02211 171 12ZZ -0.25057 0.30914 -0.00003 -0.00071 0.48267 172 12XY -0.03403 -0.04902 0.00000 -0.00019 0.12148 173 12XZ -0.00001 0.00003 -0.05790 0.34104 0.00051 174 12YZ 0.00001 0.00001 -0.06877 0.10574 0.00016 126 127 128 129 130 V V V V V Eigenvalues -- 0.55706 0.57168 0.57750 0.58180 0.61006 1 1 Al 1S 0.00000 -0.00550 -0.00014 0.00000 0.00000 2 2S -0.00005 0.05409 -0.00220 0.00001 0.00001 3 2PX 0.00000 0.01159 -0.01882 -0.00002 0.00000 4 2PY -0.00001 0.01332 -0.03397 -0.00001 0.00000 5 2PZ -0.01370 -0.00001 0.00000 -0.00245 0.01904 6 3S -0.00006 -0.05025 0.04587 0.00001 -0.00003 7 3PX 0.00001 0.02498 0.09645 0.00008 0.00004 8 3PY 0.00003 -0.01741 -0.05867 -0.00006 -0.00002 9 3PZ 0.32403 0.00020 0.00007 -0.16232 -0.18575 10 4S -0.00004 0.47372 -0.40674 -0.00020 0.00013 11 4PX -0.00057 0.74399 -0.47714 -0.00034 -0.00011 12 4PY -0.00011 0.26381 -1.16385 -0.00066 0.00005 13 4PZ 0.39534 0.00014 0.00000 -0.18127 0.59645 14 5XX 0.00003 -0.08798 -0.29931 -0.00015 0.00003 15 5YY 0.00008 -0.12165 0.26778 0.00016 -0.00004 16 5ZZ -0.00024 0.46164 -0.13498 -0.00010 0.00005 17 5XY -0.00002 0.03489 0.08734 0.00004 -0.00004 18 5XZ -0.19252 -0.00009 0.00012 -0.15490 -0.50045 19 5YZ 0.04015 0.00003 -0.00003 0.08884 0.01739 20 2 Al 1S 0.00000 0.00550 -0.00014 0.00000 0.00000 21 2S 0.00005 -0.05409 -0.00211 0.00001 -0.00001 22 2PX 0.00000 0.01160 0.01880 0.00001 0.00000 23 2PY -0.00001 0.01337 0.03396 0.00001 0.00000 24 2PZ -0.01371 -0.00001 0.00000 0.00245 0.01904 25 3S 0.00008 0.05029 0.04604 0.00001 0.00003 26 3PX 0.00000 0.02487 -0.09650 -0.00008 0.00002 27 3PY 0.00003 -0.01732 0.05866 0.00006 -0.00001 28 3PZ 0.32400 0.00023 -0.00011 0.16236 -0.18577 29 4S -0.00005 -0.47398 -0.40694 -0.00019 -0.00015 30 4PX -0.00055 0.74445 0.47559 0.00020 -0.00012 31 4PY 0.00004 0.26535 1.16368 0.00064 0.00009 32 4PZ 0.39508 0.00015 -0.00003 0.18140 0.59641 33 5XX -0.00008 0.08761 -0.29955 -0.00017 -0.00005 34 5YY -0.00005 0.12199 0.26766 0.00015 0.00005 35 5ZZ 0.00023 -0.46176 -0.13433 -0.00004 -0.00004 36 5XY 0.00003 -0.03483 0.08734 0.00005 0.00003 37 5XZ 0.19247 0.00007 0.00010 -0.15485 0.50048 38 5YZ -0.04031 -0.00003 -0.00002 0.08883 -0.01733 39 3 Cl 1S -0.04333 -0.00003 -0.01481 -0.00001 -0.00081 40 2S -0.00195 -0.00001 -0.01308 -0.00001 -0.03750 41 2PX 0.00001 -0.00038 0.00009 -0.17593 0.00003 42 2PY -0.00005 0.01440 0.00002 0.01165 0.00000 43 2PZ 0.07062 0.00005 -0.00622 0.00000 -0.12912 44 3S -1.03175 -0.00078 -0.38296 -0.00030 -0.10974 45 3PX -0.00006 0.03790 -0.00040 0.71066 -0.00011 46 3PY 0.00021 -0.06340 -0.00008 -0.04812 -0.00001 47 3PZ -0.33025 -0.00025 -0.00252 -0.00001 0.50625 48 4S 1.93670 0.00148 0.83709 0.00065 0.65985 49 4PX 0.00022 -0.31432 0.00064 -0.92090 0.00011 50 4PY -0.00030 0.04318 0.00015 0.08022 0.00000 51 4PZ 0.73744 0.00063 0.23740 0.00018 -0.49052 52 5XX -0.14867 -0.00012 -0.10071 -0.00007 -0.10797 53 5YY 0.12792 0.00018 0.13237 0.00009 0.00260 54 5ZZ -0.26008 -0.00028 -0.15162 -0.00011 0.02537 55 5XY 0.17290 0.00007 0.03569 0.00004 0.18976 56 5XZ -0.00004 0.13897 -0.00008 0.00351 0.00003 57 5YZ 0.00010 -0.04352 -0.00001 0.02019 0.00000 58 4 Cl 1S 0.04332 0.00002 -0.01481 0.00000 0.00081 59 2S 0.00195 -0.00001 -0.01308 -0.00001 0.03750 60 2PX -0.00005 -0.00036 -0.00008 0.17594 0.00001 61 2PY 0.00004 0.01440 -0.00001 -0.01165 0.00000 62 2PZ 0.07063 0.00005 0.00621 0.00000 -0.12912 63 3S 1.03168 0.00036 -0.38308 -0.00011 0.10971 64 3PX 0.00016 0.03782 0.00031 -0.71068 -0.00003 65 3PY -0.00016 -0.06341 0.00005 0.04812 -0.00001 66 3PZ -0.33027 -0.00020 0.00257 0.00000 0.50625 67 4S -1.93652 -0.00057 0.83731 0.00024 -0.65978 68 4PX -0.00010 -0.31421 -0.00025 0.92094 0.00003 69 4PY 0.00026 0.04318 -0.00004 -0.08022 0.00003 70 4PZ 0.73741 0.00032 -0.23750 -0.00011 -0.49055 71 5XX 0.14865 0.00000 -0.10072 -0.00004 0.10797 72 5YY -0.12791 -0.00001 0.13239 0.00008 -0.00260 73 5ZZ 0.26006 0.00010 -0.15165 -0.00007 -0.02538 74 5XY -0.17289 -0.00009 0.03571 0.00000 -0.18976 75 5XZ 0.00007 -0.13897 0.00009 0.00352 0.00000 76 5YZ 0.00004 0.04352 -0.00005 0.02018 0.00002 77 5 Cl 1S 0.00000 0.00490 0.02531 0.00001 0.00000 78 2S 0.00000 -0.00587 0.00035 0.00000 0.00000 79 2PX 0.00007 -0.11300 0.01011 0.00002 0.00001 80 2PY 0.00004 -0.06746 -0.00474 0.00000 -0.00002 81 2PZ 0.01041 0.00002 0.00000 -0.01311 -0.06528 82 3S -0.00006 0.09804 0.60388 0.00034 0.00003 83 3PX -0.00029 0.46247 -0.05520 -0.00009 -0.00004 84 3PY -0.00016 0.27038 0.03065 0.00000 0.00007 85 3PZ -0.03422 -0.00007 -0.00001 0.04562 0.26688 86 4S 0.00008 -0.13851 -1.32834 -0.00076 -0.00003 87 4PX 0.00043 -0.68839 0.20382 0.00019 0.00005 88 4PY 0.00019 -0.31778 -0.26333 -0.00013 -0.00008 89 4PZ -0.04953 0.00005 0.00002 0.00591 -0.39979 90 5XX 0.00002 -0.03401 0.00210 0.00000 0.00000 91 5YY -0.00001 0.00607 0.13575 0.00008 0.00000 92 5ZZ -0.00003 0.05696 0.00877 0.00000 0.00002 93 5XY -0.00005 0.08200 -0.12116 -0.00007 0.00001 94 5XZ 0.02498 0.00001 0.00002 -0.03840 -0.07084 95 5YZ 0.03176 0.00002 0.00001 -0.06692 -0.00082 96 6 Cl 1S 0.00001 -0.00486 0.02532 0.00001 0.00000 97 2S 0.00000 0.00587 0.00034 0.00000 0.00000 98 2PX 0.00008 -0.11300 -0.00998 0.00000 0.00001 99 2PY 0.00004 -0.06746 0.00482 0.00001 -0.00002 100 2PZ 0.01035 0.00002 -0.00001 0.01311 -0.06528 101 3S 0.00013 -0.09715 0.60401 0.00035 -0.00002 102 3PX -0.00031 0.46249 0.05468 0.00002 -0.00003 103 3PY -0.00017 0.27033 -0.03096 -0.00003 0.00009 104 3PZ -0.03403 -0.00008 0.00002 -0.04563 0.26688 105 4S -0.00022 0.13660 -1.32846 -0.00078 0.00000 106 4PX 0.00044 -0.68856 -0.20301 -0.00008 0.00005 107 4PY 0.00022 -0.31741 0.26368 0.00017 -0.00008 108 4PZ -0.04969 0.00005 -0.00002 -0.00593 -0.39978 109 5XX -0.00002 0.03402 0.00208 0.00000 0.00000 110 5YY 0.00002 -0.00588 0.13574 0.00008 0.00001 111 5ZZ 0.00003 -0.05694 0.00883 0.00001 -0.00001 112 5XY 0.00004 -0.08212 -0.12109 -0.00006 -0.00001 113 5XZ -0.02496 -0.00002 0.00002 -0.03840 0.07084 114 5YZ -0.03170 -0.00003 0.00001 -0.06694 0.00083 115 7 Br 1S 0.00000 -0.00737 0.00693 0.00000 0.00000 116 2S -0.00003 0.05610 -0.05414 -0.00003 0.00001 117 3S 0.00005 -0.08329 0.08273 0.00005 -0.00001 118 4S 0.00005 -0.09633 0.08941 0.00005 -0.00002 119 5S -0.00065 1.15109 -1.21841 -0.00073 0.00011 120 6S 0.00141 -2.50288 2.75255 0.00166 -0.00017 121 7PX 0.00002 -0.03609 0.00646 0.00000 -0.00002 122 7PY 0.00001 -0.01628 0.03683 0.00002 0.00000 123 7PZ -0.00299 -0.00001 -0.00003 0.04063 0.01874 124 8PX -0.00005 0.11678 -0.02125 -0.00001 0.00006 125 8PY -0.00004 0.05291 -0.11911 -0.00006 0.00001 126 8PZ 0.00947 0.00002 0.00008 -0.13104 -0.06051 127 9PX 0.00019 -0.41344 0.09429 0.00005 -0.00019 128 9PY 0.00016 -0.19886 0.42264 0.00022 -0.00003 129 9PZ -0.02269 -0.00007 -0.00028 0.44131 0.20524 130 10PX -0.00024 0.53809 -0.29521 -0.00017 0.00020 131 10PY -0.00025 0.33846 -0.52499 -0.00028 0.00003 132 10PZ -0.05508 0.00004 0.00027 -0.40841 -0.24728 133 11XX 0.00000 0.02120 0.02832 0.00001 0.00000 134 11YY -0.00001 0.02159 -0.08664 -0.00005 0.00000 135 11ZZ -0.00005 0.07139 -0.05639 -0.00003 0.00001 136 11XY 0.00000 -0.00621 -0.00994 -0.00001 0.00000 137 11XZ 0.03475 0.00001 0.00002 -0.05015 0.02738 138 11YZ -0.02888 -0.00002 -0.00002 0.03358 0.05170 139 12XX -0.00033 0.50709 -0.77116 -0.00043 0.00005 140 12YY -0.00027 0.49637 -0.21524 -0.00016 0.00004 141 12ZZ -0.00012 0.26021 -0.36409 -0.00022 0.00000 142 12XY -0.00002 0.03278 0.05175 0.00003 -0.00001 143 12XZ -0.15603 -0.00004 -0.00011 0.23304 -0.13976 144 12YZ 0.14269 0.00008 0.00010 -0.16642 -0.25656 145 8 Br 1S 0.00000 0.00738 0.00692 0.00000 0.00000 146 2S 0.00003 -0.05616 -0.05407 -0.00002 -0.00001 147 3S -0.00004 0.08338 0.08262 0.00004 0.00001 148 4S -0.00004 0.09642 0.08928 0.00004 0.00002 149 5S 0.00050 -1.15242 -1.21690 -0.00058 -0.00010 150 6S -0.00107 2.50590 2.74930 0.00132 0.00017 151 7PX 0.00002 -0.03609 -0.00642 0.00000 -0.00001 152 7PY 0.00001 -0.01633 -0.03680 -0.00002 0.00000 153 7PZ -0.00301 -0.00001 0.00003 -0.04063 0.01874 154 8PX -0.00005 0.11679 0.02112 0.00000 0.00005 155 8PY -0.00003 0.05304 0.11902 0.00005 0.00000 156 8PZ 0.00955 0.00004 -0.00009 0.13103 -0.06051 157 9PX 0.00018 -0.41350 -0.09383 -0.00002 -0.00017 158 9PY 0.00012 -0.19935 -0.42231 -0.00019 0.00001 159 9PZ -0.02293 -0.00014 0.00029 -0.44125 0.20524 160 10PX -0.00020 0.53837 0.29461 0.00013 0.00018 161 10PY -0.00020 0.33905 0.52449 0.00024 -0.00002 162 10PZ -0.05481 0.00011 -0.00026 0.40832 -0.24727 163 11XX 0.00001 -0.02117 0.02835 0.00002 0.00000 164 11YY 0.00000 -0.02169 -0.08661 -0.00004 0.00000 165 11ZZ 0.00004 -0.07145 -0.05631 -0.00003 -0.00001 166 11XY 0.00000 0.00619 -0.00993 -0.00001 0.00000 167 11XZ -0.03472 -0.00001 0.00003 -0.05016 -0.02737 168 11YZ 0.02888 0.00002 -0.00002 0.03357 -0.05171 169 12XX 0.00022 -0.50796 -0.77055 -0.00038 -0.00005 170 12YY 0.00025 -0.49657 -0.21460 -0.00009 -0.00005 171 12ZZ 0.00008 -0.26062 -0.36369 -0.00018 0.00000 172 12XY 0.00002 -0.03271 0.05173 0.00004 0.00000 173 12XZ 0.15591 0.00006 -0.00012 0.23309 0.13973 174 12YZ -0.14270 -0.00011 0.00011 -0.16640 0.25661 131 132 133 134 135 V V V V V Eigenvalues -- 0.61850 0.64347 0.64736 0.64992 0.65803 1 1 Al 1S 0.00153 0.00953 0.00000 -0.00934 -0.00391 2 2S -0.00224 0.04116 0.00000 -0.03722 0.02485 3 2PX -0.00684 -0.02589 0.00003 -0.02301 -0.00837 4 2PY -0.02102 0.00283 0.00002 -0.02905 0.01140 5 2PZ 0.00000 0.00000 0.01421 0.00001 0.00002 6 3S 0.06979 0.64220 0.00010 -0.59822 0.02771 7 3PX -0.11113 -0.07326 0.00003 -0.00324 0.38520 8 3PY 0.03031 0.05538 0.00001 -0.07745 0.02690 9 3PZ 0.00001 -0.00002 -0.06124 -0.00008 -0.00011 10 4S -0.45525 -2.43214 -0.00036 2.12329 -0.61978 11 4PX -0.14555 1.78038 -0.00021 -0.82100 0.02574 12 4PY 0.97564 -0.43502 -0.00051 0.96696 0.53679 13 4PZ 0.00002 -0.00011 -0.61612 -0.00043 -0.00038 14 5XX 0.15213 -0.26599 -0.00001 0.24747 -0.20308 15 5YY -0.33066 0.02952 0.00010 -0.14517 -0.08420 16 5ZZ 0.09418 0.00808 -0.00010 0.06743 0.10392 17 5XY 0.21988 0.23333 -0.00019 0.11371 -0.04179 18 5XZ 0.00000 -0.00017 -0.18989 -0.00015 -0.00005 19 5YZ 0.00004 -0.00004 -0.19567 -0.00014 -0.00009 20 2 Al 1S 0.00152 -0.00953 0.00000 0.00934 -0.00391 21 2S -0.00229 -0.04116 0.00000 0.03720 0.02486 22 2PX 0.00684 -0.02588 0.00003 -0.02302 0.00837 23 2PY 0.02103 0.00283 0.00002 -0.02904 -0.01143 24 2PZ 0.00000 0.00000 0.01421 0.00001 -0.00002 25 3S 0.06916 -0.64218 -0.00011 0.59811 0.02760 26 3PX 0.11111 -0.07337 0.00001 -0.00297 -0.38521 27 3PY -0.03021 0.05530 0.00001 -0.07740 -0.02683 28 3PZ -0.00002 -0.00003 -0.06124 -0.00006 0.00012 29 4S -0.45286 2.43219 0.00035 -2.12277 -0.61928 30 4PX 0.14711 1.78049 -0.00019 -0.82094 -0.02579 31 4PY -0.97597 -0.43431 -0.00055 0.96708 -0.53585 32 4PZ 0.00002 -0.00013 -0.61608 -0.00041 0.00040 33 5XX 0.15227 0.26589 0.00000 -0.24725 -0.20311 34 5YY -0.33058 -0.02937 -0.00010 0.14512 -0.08399 35 5ZZ 0.09417 -0.00812 0.00011 -0.06746 0.10392 36 5XY 0.21987 -0.23341 0.00019 -0.11370 -0.04197 37 5XZ 0.00003 0.00018 0.18988 0.00013 -0.00009 38 5YZ 0.00004 0.00006 0.19570 0.00013 -0.00010 39 3 Cl 1S 0.00274 0.00000 0.01118 0.00002 -0.02761 40 2S 0.00624 -0.00001 0.00178 0.00000 0.00405 41 2PX 0.00000 -0.08184 0.00007 -0.07647 -0.00002 42 2PY -0.00001 0.00001 0.00007 -0.08098 -0.00002 43 2PZ -0.01576 -0.00002 0.01846 0.00000 0.05286 44 3S 0.08012 -0.00001 0.27545 0.00050 -0.65471 45 3PX 0.00001 0.32060 -0.00031 0.33469 0.00012 46 3PY 0.00006 0.00948 -0.00027 0.33235 0.00009 47 3PZ 0.07031 0.00008 -0.09000 0.00001 -0.23998 48 4S -0.28165 0.00010 -0.73932 -0.00116 1.17979 49 4PX 0.00013 -0.09941 0.00051 -0.78476 -0.00032 50 4PY -0.00015 -0.20187 0.00046 -0.43721 -0.00023 51 4PZ -0.19350 0.00001 0.17459 -0.00009 0.52774 52 5XX 0.04161 0.00007 0.28592 0.00017 0.09025 53 5YY -0.04903 0.00002 -0.04323 -0.00002 -0.00348 54 5ZZ 0.03652 -0.00011 -0.18094 -0.00004 -0.23628 55 5XY 0.03652 0.00006 0.08760 0.00000 0.16723 56 5XZ -0.00003 -0.07059 -0.00002 0.08442 0.00007 57 5YZ -0.00001 0.04696 -0.00002 -0.02495 0.00016 58 4 Cl 1S 0.00274 0.00000 -0.01118 0.00000 -0.02761 59 2S 0.00625 0.00001 -0.00178 0.00000 0.00405 60 2PX 0.00000 -0.08184 0.00008 -0.07647 0.00003 61 2PY 0.00001 0.00001 0.00006 -0.08098 -0.00006 62 2PZ 0.01575 -0.00003 0.01846 0.00003 -0.05286 63 3S 0.08013 -0.00009 -0.27547 0.00002 -0.65470 64 3PX -0.00001 0.32058 -0.00034 0.33467 -0.00012 65 3PY -0.00002 0.00948 -0.00026 0.33236 0.00025 66 3PZ -0.07028 0.00010 -0.08999 -0.00013 0.23998 67 4S -0.28168 0.00012 0.73935 0.00010 1.17976 68 4PX 0.00014 -0.09940 0.00056 -0.78472 0.00028 69 4PY -0.00007 -0.20186 0.00042 -0.43722 -0.00048 70 4PZ 0.19347 -0.00009 0.17456 0.00030 -0.52774 71 5XX 0.04161 -0.00010 -0.28590 -0.00022 0.09026 72 5YY -0.04904 0.00002 0.04323 0.00002 -0.00348 73 5ZZ 0.03652 0.00007 0.18093 0.00021 -0.23628 74 5XY 0.03651 -0.00007 -0.08759 -0.00012 0.16725 75 5XZ 0.00000 0.07058 0.00005 -0.08442 0.00004 76 5YZ -0.00006 -0.04697 0.00002 0.02495 -0.00001 77 5 Cl 1S -0.01799 -0.01133 0.00000 0.00830 -0.01495 78 2S -0.02230 0.00152 0.00001 -0.01664 -0.00776 79 2PX 0.01103 -0.10536 0.00004 0.01384 0.04595 80 2PY -0.09723 0.03769 0.00008 -0.11483 -0.01204 81 2PZ 0.00000 0.00001 0.05854 0.00004 0.00002 82 3S -0.48880 -0.26670 0.00001 0.15462 -0.37796 83 3PX -0.05384 0.43553 -0.00014 -0.06402 -0.17942 84 3PY 0.36544 -0.15880 -0.00030 0.46249 0.03671 85 3PZ 0.00001 -0.00004 -0.24208 -0.00017 -0.00009 86 4S 1.37077 0.55938 -0.00021 -0.08006 0.95000 87 4PX 0.10955 -0.72893 0.00020 0.16319 0.15480 88 4PY -0.06411 0.29221 0.00028 -0.52492 0.12966 89 4PZ -0.00003 0.00007 0.38793 0.00027 0.00016 90 5XX 0.08397 0.01289 -0.00002 0.03101 -0.03943 91 5YY -0.21057 -0.03208 0.00005 -0.04336 -0.06763 92 5ZZ -0.00874 -0.04617 -0.00002 0.03861 0.00732 93 5XY -0.09825 -0.00672 0.00005 -0.06565 0.07666 94 5XZ 0.00001 -0.00003 -0.03132 -0.00002 -0.00004 95 5YZ 0.00001 -0.00001 -0.01581 -0.00001 -0.00001 96 6 Cl 1S -0.01798 0.01134 0.00000 -0.00829 -0.01493 97 2S -0.02230 -0.00151 -0.00001 0.01664 -0.00773 98 2PX -0.01111 -0.10537 0.00003 0.01388 -0.04596 99 2PY 0.09725 0.03763 0.00007 -0.11481 0.01195 100 2PZ 0.00000 0.00001 0.05853 0.00004 -0.00002 101 3S -0.48852 0.26692 -0.00003 -0.15438 -0.37746 102 3PX 0.05416 0.43559 -0.00013 -0.06419 0.17947 103 3PY -0.36555 -0.15858 -0.00030 0.46239 -0.03638 104 3PZ 0.00000 -0.00005 -0.24207 -0.00016 0.00010 105 4S 1.37013 -0.56000 0.00027 0.07953 0.94860 106 4PX -0.11007 -0.72903 0.00018 0.16333 -0.15485 107 4PY 0.06438 0.29209 0.00027 -0.52473 -0.12970 108 4PZ 0.00001 0.00008 0.38791 0.00026 -0.00017 109 5XX 0.08399 -0.01294 0.00002 -0.03099 -0.03948 110 5YY -0.21055 0.03218 -0.00006 0.04339 -0.06742 111 5ZZ -0.00871 0.04617 0.00002 -0.03860 0.00730 112 5XY -0.09825 0.00674 -0.00005 0.06557 0.07675 113 5XZ 0.00001 0.00003 0.03132 0.00002 -0.00004 114 5YZ 0.00000 0.00001 0.01579 0.00001 -0.00001 115 7 Br 1S 0.00327 0.00233 0.00000 0.00343 -0.00687 116 2S -0.01974 -0.01404 0.00002 -0.01666 0.04231 117 3S 0.02027 0.01420 -0.00001 0.00786 -0.04505 118 4S 0.04961 0.03603 -0.00005 0.05880 -0.10465 119 5S -0.11613 -0.10123 -0.00013 0.21115 0.48833 120 6S -0.00625 0.04027 0.00069 -0.92573 -0.74116 121 7PX 0.00803 0.05839 -0.00003 0.01888 -0.05513 122 7PY 0.05799 -0.01123 -0.00003 0.05075 -0.00640 123 7PZ 0.00000 -0.00001 -0.05169 -0.00004 -0.00002 124 8PX -0.02589 -0.18903 0.00011 -0.06082 0.17843 125 8PY -0.18759 0.03642 0.00010 -0.16417 0.02065 126 8PZ -0.00001 0.00005 0.16758 0.00012 0.00007 127 9PX 0.08037 0.66858 -0.00036 0.19019 -0.62632 128 9PY 0.65528 -0.13552 -0.00036 0.57038 -0.06542 129 9PZ 0.00005 -0.00018 -0.61109 -0.00043 -0.00024 130 10PX 0.02284 -0.81486 0.00025 0.04085 0.70930 131 10PY -0.74791 0.24944 0.00033 -0.59185 0.03546 132 10PZ -0.00005 0.00023 0.80515 0.00058 0.00034 133 11XX -0.01072 -0.01161 0.00001 -0.02584 0.04631 134 11YY -0.02659 0.01039 0.00000 -0.00234 -0.00379 135 11ZZ 0.01330 -0.01571 -0.00001 0.02367 0.01228 136 11XY -0.00245 -0.01490 0.00001 -0.01449 0.01124 137 11XZ -0.00001 0.00002 0.06635 0.00005 0.00002 138 11YZ 0.00000 0.00003 0.05281 0.00004 0.00003 139 12XX -0.01091 0.01870 -0.00015 0.24365 -0.03528 140 12YY 0.08432 -0.09704 -0.00011 0.14851 0.21315 141 12ZZ -0.10775 0.04209 -0.00005 0.02404 0.12720 142 12XY 0.00170 0.06497 -0.00005 0.05752 -0.04940 143 12XZ 0.00004 -0.00012 -0.34424 -0.00025 -0.00012 144 12YZ 0.00002 -0.00014 -0.27315 -0.00021 -0.00014 145 8 Br 1S 0.00327 -0.00233 0.00000 -0.00342 -0.00687 146 2S -0.01975 0.01404 -0.00001 0.01663 0.04232 147 3S 0.02028 -0.01420 0.00001 -0.00783 -0.04506 148 4S 0.04963 -0.03604 0.00005 -0.05872 -0.10468 149 5S -0.11620 0.10107 0.00017 -0.21146 0.48831 150 6S -0.00616 -0.03980 -0.00075 0.92618 -0.74091 151 7PX -0.00801 0.05840 -0.00003 0.01884 0.05512 152 7PY -0.05801 -0.01120 -0.00003 0.05074 0.00647 153 7PZ 0.00000 -0.00002 -0.05169 -0.00004 0.00002 154 8PX 0.02581 -0.18906 0.00009 -0.06069 -0.17840 155 8PY 0.18764 0.03632 0.00010 -0.16413 -0.02086 156 8PZ 0.00001 0.00006 0.16757 0.00011 -0.00007 157 9PX -0.08008 0.66866 -0.00031 0.18975 0.62621 158 9PY -0.65548 -0.13518 -0.00036 0.57021 0.06616 159 9PZ -0.00003 -0.00021 -0.61108 -0.00042 0.00028 160 10PX -0.02326 -0.81488 0.00019 0.04132 -0.70904 161 10PY 0.74817 0.24907 0.00033 -0.59165 -0.03632 162 10PZ 0.00004 0.00027 0.80514 0.00056 -0.00039 163 11XX -0.01073 0.01162 -0.00001 0.02581 0.04629 164 11YY -0.02660 -0.01039 0.00000 0.00234 -0.00375 165 11ZZ 0.01332 0.01570 0.00001 -0.02368 0.01228 166 11XY -0.00244 0.01492 -0.00001 0.01448 0.01126 167 11XZ -0.00001 -0.00003 -0.06635 -0.00005 0.00003 168 11YZ -0.00001 -0.00003 -0.05282 -0.00004 0.00003 169 12XX -0.01091 -0.01883 0.00014 -0.24360 -0.03516 170 12YY 0.08438 0.09696 0.00012 -0.14864 0.21298 171 12ZZ -0.10785 -0.04210 0.00007 -0.02413 0.12717 172 12XY 0.00164 -0.06503 0.00005 -0.05748 -0.04949 173 12XZ 0.00005 0.00015 0.34422 0.00024 -0.00015 174 12YZ 0.00003 0.00015 0.27318 0.00019 -0.00016 136 137 138 139 140 V V V V V Eigenvalues -- 0.66285 0.67657 0.70553 0.71284 0.75548 1 1 Al 1S 0.00000 0.01218 0.00992 0.01478 0.00689 2 2S 0.00000 0.02237 -0.02219 0.08594 0.02316 3 2PX 0.00000 0.01900 0.01370 0.01130 -0.01036 4 2PY 0.00000 -0.01346 -0.00958 -0.02138 0.00213 5 2PZ -0.03875 0.00000 0.00000 0.00000 0.00000 6 3S 0.00003 0.73100 0.33961 1.09482 0.53760 7 3PX 0.00017 -0.03591 -0.19698 0.03037 0.05412 8 3PY 0.00004 0.24010 0.35652 0.01411 -0.03111 9 3PZ 0.28273 0.00001 0.00000 0.00006 0.00000 10 4S -0.00031 -2.70073 -0.58570 -3.77508 -1.51591 11 4PX 0.00009 0.83699 0.20267 1.84946 0.94986 12 4PY 0.00019 0.51836 0.30665 -0.69317 -0.10991 13 4PZ 0.72871 -0.00013 -0.00003 -0.00005 -0.00007 14 5XX -0.00011 -0.11459 -0.18878 0.13302 -0.00921 15 5YY 0.00000 -0.17673 0.28492 -0.37375 -0.14406 16 5ZZ 0.00001 -0.14843 -0.22841 -0.12213 -0.31077 17 5XY -0.00004 0.10173 0.06598 -0.05103 0.16565 18 5XZ 0.24733 0.00000 -0.00002 0.00000 -0.00002 19 5YZ 0.22949 -0.00001 0.00002 0.00000 -0.00003 20 2 Al 1S 0.00000 -0.01218 0.00990 -0.01480 0.00688 21 2S 0.00001 -0.02238 -0.02233 -0.08590 0.02316 22 2PX 0.00000 0.01899 -0.01368 0.01132 0.01038 23 2PY 0.00000 -0.01345 0.00955 -0.02139 -0.00211 24 2PZ 0.03875 0.00000 0.00000 0.00000 0.00000 25 3S 0.00003 -0.73123 0.33785 -1.09530 0.53749 26 3PX -0.00016 -0.03569 0.19705 0.03003 -0.05422 27 3PY -0.00003 0.24020 -0.35642 0.01461 0.03109 28 3PZ -0.28274 0.00001 0.00000 0.00006 -0.00001 29 4S -0.00031 2.70193 -0.57950 3.77584 -1.51541 30 4PX -0.00012 0.83731 -0.19964 1.84980 -0.94962 31 4PY -0.00012 0.51910 -0.30725 -0.69254 0.11021 32 4PZ -0.72877 -0.00009 0.00003 -0.00002 0.00004 33 5XX -0.00013 0.11481 -0.18894 -0.13280 -0.00924 34 5YY 0.00002 0.17675 0.28557 0.37339 -0.14395 35 5ZZ 0.00002 0.14854 -0.22826 0.12244 -0.31074 36 5XY -0.00003 -0.10182 0.06595 0.05085 0.16563 37 5XZ 0.24727 -0.00001 -0.00002 -0.00001 -0.00002 38 5YZ 0.22949 0.00000 0.00001 -0.00001 -0.00002 39 3 Cl 1S -0.00001 0.00001 0.00868 -0.00001 -0.02878 40 2S 0.00000 0.00001 -0.02088 0.00001 -0.04359 41 2PX 0.05444 0.06004 0.00007 0.09535 0.00000 42 2PY -0.04591 -0.03462 -0.00006 -0.07868 0.00000 43 2PZ 0.00002 0.00000 -0.07049 0.00006 -0.01981 44 3S -0.00032 0.00038 0.16015 -0.00026 -0.80862 45 3PX -0.24877 -0.26954 -0.00033 -0.42872 0.00001 46 3PY 0.18143 0.17265 0.00026 0.33192 0.00001 47 3PZ -0.00009 0.00002 0.28890 -0.00026 0.04739 48 4S 0.00064 -0.00090 0.01033 0.00031 2.38722 49 4PX 0.60293 0.65519 0.00082 1.08544 -0.00002 50 4PY -0.27226 -0.60102 -0.00058 -0.62381 -0.00010 51 4PZ 0.00023 -0.00020 -0.34536 0.00035 0.45097 52 5XX 0.00002 0.00003 0.06962 -0.00008 -0.26022 53 5YY 0.00001 -0.00004 -0.12619 0.00013 0.23631 54 5ZZ -0.00011 0.00012 0.06206 -0.00008 -0.20741 55 5XY 0.00009 -0.00016 0.25677 -0.00019 0.08056 56 5XZ -0.09303 -0.08125 -0.00010 -0.16859 0.00002 57 5YZ -0.19211 0.23167 0.00000 -0.11878 0.00009 58 4 Cl 1S -0.00001 0.00001 0.00868 0.00000 -0.02878 59 2S 0.00000 0.00001 -0.02088 0.00001 -0.04359 60 2PX -0.05444 0.06004 0.00009 0.09535 0.00001 61 2PY 0.04590 -0.03462 -0.00007 -0.07868 0.00000 62 2PZ -0.00002 0.00001 0.07049 -0.00004 0.01981 63 3S -0.00036 0.00034 0.16014 -0.00004 -0.80864 64 3PX 0.24874 -0.26955 -0.00038 -0.42872 -0.00005 65 3PY -0.18139 0.17266 0.00031 0.33192 0.00002 66 3PZ 0.00008 -0.00004 -0.28890 0.00016 -0.04739 67 4S 0.00075 -0.00081 0.01035 -0.00015 2.38726 68 4PX -0.60291 0.65522 0.00090 1.08545 0.00007 69 4PY 0.27219 -0.60103 -0.00061 -0.62380 -0.00011 70 4PZ -0.00023 0.00023 0.34535 -0.00020 -0.45098 71 5XX 0.00002 -0.00004 0.06962 -0.00005 -0.26022 72 5YY 0.00001 -0.00001 -0.12618 0.00013 0.23632 73 5ZZ -0.00012 0.00014 0.06204 -0.00007 -0.20743 74 5XY 0.00005 -0.00013 0.25676 -0.00016 0.08056 75 5XZ -0.09303 0.08125 0.00011 0.16860 0.00000 76 5YZ -0.19212 -0.23167 0.00007 0.11878 -0.00008 77 5 Cl 1S -0.00001 -0.03565 -0.02989 0.00333 -0.01239 78 2S 0.00000 -0.01515 0.01710 -0.02756 -0.00984 79 2PX 0.00001 -0.04168 -0.05038 -0.00554 -0.05035 80 2PY 0.00000 -0.00555 0.10963 -0.07517 -0.01146 81 2PZ -0.04591 0.00001 -0.00001 0.00001 0.00000 82 3S -0.00017 -0.89480 -0.67429 0.00839 -0.32588 83 3PX -0.00005 0.17481 0.20221 0.04581 0.22359 84 3PY -0.00001 -0.00764 -0.45772 0.29759 0.03137 85 3PZ 0.19163 -0.00002 0.00002 -0.00003 -0.00002 86 4S 0.00040 2.15525 1.21172 0.40913 0.76851 87 4PX 0.00001 -0.35413 -0.25994 -0.33405 -0.48516 88 4PY 0.00008 0.46476 0.67862 -0.12544 0.14678 89 4PZ -0.34453 0.00003 -0.00002 0.00003 0.00003 90 5XX -0.00003 0.01272 -0.02881 0.06651 -0.01711 91 5YY -0.00002 -0.22914 -0.06899 -0.05228 -0.09113 92 5ZZ 0.00001 -0.01154 -0.04842 -0.03482 0.02626 93 5XY 0.00006 -0.00795 -0.10493 0.28183 0.20693 94 5XZ 0.09481 0.00000 0.00000 -0.00001 -0.00001 95 5YZ 0.03054 0.00001 -0.00004 0.00002 0.00001 96 6 Cl 1S -0.00001 0.03568 -0.02988 -0.00328 -0.01238 97 2S 0.00000 0.01516 0.01715 0.02754 -0.00983 98 2PX -0.00001 -0.04169 0.05037 -0.00561 0.05033 99 2PY -0.00001 -0.00553 -0.10974 -0.07503 0.01146 100 2PZ 0.04591 0.00000 0.00000 0.00001 0.00000 101 3S -0.00015 0.89552 -0.67394 -0.00744 -0.32555 102 3PX 0.00004 0.17486 -0.20211 0.04611 -0.22350 103 3PY 0.00004 -0.00772 0.45818 0.29699 -0.03138 104 3PZ -0.19164 -0.00001 -0.00002 -0.00002 0.00001 105 4S 0.00032 -2.15686 1.21022 -0.41086 0.76771 106 4PX 0.00000 -0.35436 0.25936 -0.33448 0.48500 107 4PY -0.00009 0.46511 -0.67865 -0.12455 -0.14660 108 4PZ 0.34455 0.00001 0.00001 0.00001 -0.00001 109 5XX -0.00003 -0.01268 -0.02887 -0.06640 -0.01715 110 5YY -0.00001 0.22928 -0.06884 0.05233 -0.09099 111 5ZZ 0.00000 0.01155 -0.04840 0.03486 0.02624 112 5XY 0.00006 0.00786 -0.10533 -0.28168 0.20694 113 5XZ 0.09480 0.00000 0.00000 0.00001 -0.00001 114 5YZ 0.03057 -0.00001 -0.00003 -0.00002 0.00001 115 7 Br 1S 0.00000 -0.00131 0.00044 0.00040 0.00390 116 2S 0.00002 0.00656 -0.00384 -0.00515 -0.02663 117 3S -0.00002 -0.00360 0.00643 0.01139 0.03402 118 4S -0.00005 -0.02242 0.00579 0.00230 0.05667 119 5S 0.00024 0.00254 0.02031 -0.29574 -0.38334 120 6S -0.00039 0.10254 -0.09821 0.78703 0.64461 121 7PX -0.00002 -0.02005 0.00508 0.01917 0.03586 122 7PY -0.00001 0.02807 0.00157 -0.02141 -0.00993 123 7PZ 0.04270 -0.00001 0.00000 0.00000 0.00000 124 8PX 0.00007 0.06489 -0.01624 -0.06258 -0.11673 125 8PY 0.00002 -0.09103 -0.00532 0.06970 0.03233 126 8PZ -0.13869 0.00002 0.00000 0.00001 0.00001 127 9PX -0.00026 -0.22924 0.03937 0.25572 0.43966 128 9PY -0.00007 0.33042 0.02902 -0.26741 -0.12814 129 9PZ 0.51946 -0.00007 -0.00001 -0.00002 -0.00003 130 10PX 0.00030 0.23579 0.06010 -0.55914 -0.62147 131 10PY 0.00008 -0.42673 -0.05894 0.39359 0.24075 132 10PZ -0.74961 0.00010 0.00002 0.00002 0.00006 133 11XX 0.00003 0.04515 0.04590 -0.04190 -0.04529 134 11YY 0.00000 -0.02448 -0.03774 0.04487 0.00867 135 11ZZ 0.00000 -0.01789 -0.01752 -0.01993 -0.00776 136 11XY 0.00001 -0.00795 0.00384 0.01905 0.01671 137 11XZ -0.06491 0.00001 0.00000 0.00000 0.00001 138 11YZ -0.07254 0.00000 0.00000 0.00000 0.00001 139 12XX -0.00003 -0.25349 -0.26833 0.09005 0.04606 140 12YY 0.00010 0.10422 0.18964 -0.39705 -0.25022 141 12ZZ 0.00009 0.06961 0.08031 -0.04723 -0.14345 142 12XY -0.00004 0.03589 -0.02954 -0.09719 -0.10093 143 12XZ 0.34426 -0.00003 -0.00001 0.00000 -0.00003 144 12YZ 0.37569 -0.00002 -0.00001 -0.00001 -0.00003 145 8 Br 1S 0.00000 0.00131 0.00044 -0.00040 0.00391 146 2S 0.00002 -0.00658 -0.00385 0.00515 -0.02664 147 3S -0.00002 0.00363 0.00643 -0.01140 0.03403 148 4S -0.00005 0.02248 0.00581 -0.00232 0.05669 149 5S 0.00022 -0.00285 0.02048 0.29570 -0.38356 150 6S -0.00034 -0.10201 -0.09882 -0.78683 0.64506 151 7PX 0.00002 -0.02008 -0.00507 0.01918 -0.03587 152 7PY 0.00001 0.02807 -0.00159 -0.02140 0.00994 153 7PZ -0.04270 0.00000 0.00000 0.00000 0.00000 154 8PX -0.00007 0.06498 0.01619 -0.06262 0.11676 155 8PY -0.00003 -0.09103 0.00538 0.06966 -0.03236 156 8PZ 0.13870 0.00001 0.00000 0.00000 0.00000 157 9PX 0.00023 -0.22956 -0.03915 0.25581 -0.43977 158 9PY 0.00010 0.33045 -0.02927 -0.26725 0.12824 159 9PZ -0.51950 -0.00004 0.00002 -0.00001 0.00002 160 10PX -0.00026 0.23620 -0.06072 -0.55908 0.62163 161 10PY -0.00011 -0.42679 0.05932 0.39333 -0.24090 162 10PZ 0.74965 0.00006 -0.00003 0.00000 -0.00003 163 11XX 0.00003 -0.04519 0.04594 0.04184 -0.04531 164 11YY 0.00000 0.02450 -0.03780 -0.04483 0.00868 165 11ZZ 0.00000 0.01789 -0.01749 0.01995 -0.00777 166 11XY 0.00001 0.00794 0.00384 -0.01903 0.01672 167 11XZ -0.06490 0.00000 0.00000 0.00000 0.00000 168 11YZ -0.07254 0.00000 0.00000 0.00000 0.00000 169 12XX -0.00004 0.25359 -0.26846 -0.08971 0.04605 170 12YY 0.00009 -0.10440 0.19007 0.39680 -0.25035 171 12ZZ 0.00009 -0.06970 0.08029 0.04710 -0.14350 172 12XY -0.00004 -0.03581 -0.02952 0.09713 -0.10099 173 12XZ 0.34420 0.00002 -0.00002 -0.00001 -0.00002 174 12YZ 0.37572 0.00001 -0.00001 0.00000 -0.00003 141 142 143 144 145 V V V V V Eigenvalues -- 0.80408 0.82440 0.85010 0.85298 0.85750 1 1 Al 1S 0.00000 0.00000 0.00000 -0.00158 -0.00244 2 2S 0.00000 0.00000 0.00000 -0.00314 0.00157 3 2PX 0.00000 0.00001 -0.00001 0.00648 -0.01397 4 2PY 0.00000 0.00001 0.00000 0.01427 0.01076 5 2PZ -0.00471 -0.02295 0.02845 0.00000 0.00000 6 3S -0.00008 -0.00006 0.00007 -0.06101 -0.12789 7 3PX -0.00002 -0.00006 0.00007 -0.07526 0.10123 8 3PY 0.00000 -0.00006 0.00001 -0.12013 -0.04791 9 3PZ -0.04284 0.12553 -0.06369 -0.00001 -0.00001 10 4S 0.00021 -0.00004 0.00001 0.02501 0.43582 11 4PX -0.00012 0.00004 0.00001 0.02021 -0.17679 12 4PY 0.00001 0.00016 -0.00008 0.08421 -0.02730 13 4PZ 0.18238 0.17912 -0.35364 0.00000 0.00004 14 5XX 0.00004 -0.00002 0.00002 -0.05943 0.07360 15 5YY 0.00003 -0.00002 -0.00003 -0.07016 -0.02172 16 5ZZ -0.00005 0.00002 0.00002 0.08228 0.05870 17 5XY -0.00003 -0.00002 0.00003 -0.03589 0.02843 18 5XZ -0.08756 0.13099 -0.06907 0.00000 0.00000 19 5YZ -0.00951 0.14126 -0.14325 0.00000 0.00001 20 2 Al 1S 0.00000 0.00000 0.00000 -0.00158 0.00244 21 2S 0.00000 0.00000 0.00000 -0.00314 -0.00157 22 2PX 0.00000 -0.00001 -0.00001 -0.00647 -0.01398 23 2PY 0.00000 0.00000 0.00000 -0.01427 0.01077 24 2PZ -0.00471 0.02295 0.02845 0.00000 0.00000 25 3S 0.00009 -0.00005 -0.00006 -0.06112 0.12791 26 3PX -0.00001 0.00005 0.00005 0.07526 0.10124 27 3PY -0.00001 0.00004 0.00000 0.12018 -0.04793 28 3PZ -0.04284 -0.12553 -0.06370 0.00000 -0.00001 29 4S -0.00023 -0.00001 0.00001 0.02519 -0.43585 30 4PX -0.00013 -0.00003 0.00003 -0.02010 -0.17678 31 4PY 0.00001 -0.00016 -0.00007 -0.08426 -0.02734 32 4PZ 0.18234 -0.17906 -0.35366 -0.00001 0.00004 33 5XX -0.00004 -0.00002 -0.00002 -0.05941 -0.07362 34 5YY -0.00002 -0.00001 0.00003 -0.07017 0.02174 35 5ZZ 0.00004 0.00002 -0.00002 0.08228 -0.05871 36 5XY 0.00003 -0.00002 -0.00003 -0.03591 -0.02844 37 5XZ 0.08757 0.13096 0.06907 0.00000 0.00000 38 5YZ 0.00953 0.14126 0.14328 0.00001 -0.00001 39 3 Cl 1S 0.00092 0.00000 0.00203 0.00086 0.00000 40 2S -0.00857 0.00000 0.00938 0.00065 0.00000 41 2PX 0.00000 0.02090 0.00000 0.00000 0.00459 42 2PY 0.00000 0.02148 0.00001 0.00000 0.01228 43 2PZ -0.04909 0.00000 0.04986 0.00637 -0.00001 44 3S 0.00177 -0.00002 0.07562 0.02264 0.00002 45 3PX 0.00000 -0.09403 0.00000 -0.00001 -0.01560 46 3PY 0.00000 -0.08822 -0.00004 0.00000 -0.05618 47 3PZ 0.19882 0.00000 -0.20779 -0.02698 0.00004 48 4S 0.12737 0.00004 -0.34374 -0.05436 0.00000 49 4PX -0.00001 0.20538 0.00001 0.00002 -0.01957 50 4PY 0.00001 0.09988 0.00008 0.00000 0.12607 51 4PZ -0.23916 -0.00002 0.27041 0.02739 -0.00005 52 5XX 0.09102 0.00002 -0.52302 -0.13894 0.00003 53 5YY 0.33394 0.00000 0.16946 -0.00020 0.00000 54 5ZZ -0.43754 -0.00002 0.37630 0.14384 -0.00003 55 5XY -0.43934 -0.00012 -0.13354 0.11007 -0.00001 56 5XZ -0.00004 0.21873 0.00004 0.00000 0.13367 57 5YZ 0.00000 0.55564 0.00012 0.00000 0.15003 58 4 Cl 1S -0.00092 0.00000 -0.00203 0.00086 0.00000 59 2S 0.00857 0.00000 -0.00938 0.00065 0.00000 60 2PX 0.00000 -0.02090 0.00000 0.00000 0.00459 61 2PY 0.00000 -0.02148 0.00001 0.00000 0.01228 62 2PZ -0.04909 0.00000 0.04986 -0.00637 -0.00001 63 3S -0.00177 0.00000 -0.07562 0.02264 -0.00001 64 3PX 0.00000 0.09402 0.00000 0.00000 -0.01560 65 3PY -0.00001 0.08822 -0.00003 0.00000 -0.05618 66 3PZ 0.19880 0.00001 -0.20778 0.02696 0.00003 67 4S -0.12736 -0.00002 0.34373 -0.05435 0.00000 68 4PX -0.00002 -0.20537 -0.00001 0.00001 -0.01957 69 4PY 0.00004 -0.09988 0.00005 0.00000 0.12607 70 4PZ -0.23915 -0.00001 0.27041 -0.02737 -0.00004 71 5XX -0.09103 -0.00007 0.52304 -0.13893 -0.00004 72 5YY -0.33394 0.00007 -0.16947 -0.00021 0.00000 73 5ZZ 0.43755 0.00000 -0.37631 0.14382 0.00004 74 5XY 0.43935 -0.00002 0.13353 0.11007 -0.00005 75 5XZ -0.00004 0.21873 -0.00005 0.00002 -0.13367 76 5YZ -0.00005 0.55565 -0.00005 0.00001 -0.15003 77 5 Cl 1S 0.00000 0.00000 0.00000 0.00051 0.00396 78 2S 0.00000 0.00000 0.00000 -0.00182 0.00133 79 2PX 0.00000 0.00000 0.00000 -0.00129 0.00019 80 2PY 0.00001 0.00000 0.00000 -0.00719 -0.00495 81 2PZ 0.00316 -0.02772 0.03434 0.00000 0.00000 82 3S 0.00001 -0.00006 0.00004 0.00762 0.10089 83 3PX -0.00001 -0.00001 0.00001 0.00532 -0.00300 84 3PY -0.00002 0.00002 0.00001 0.03034 0.02416 85 3PZ -0.00540 0.11185 -0.14380 0.00000 0.00001 86 4S -0.00005 0.00015 -0.00010 0.01016 -0.24221 87 4PX 0.00003 0.00000 -0.00001 -0.00606 0.02655 88 4PY 0.00001 0.00000 -0.00002 -0.03995 -0.07403 89 4PZ -0.04120 -0.15679 0.23422 0.00000 -0.00002 90 5XX 0.00001 0.00001 0.00010 -0.56548 0.58710 91 5YY 0.00003 -0.00003 0.00000 -0.01916 0.00621 92 5ZZ -0.00003 0.00001 -0.00008 0.58520 -0.57162 93 5XY 0.00000 0.00002 -0.00005 -0.09220 -0.04160 94 5XZ -0.11857 0.18521 -0.32310 0.00001 0.00018 95 5YZ 0.24664 -0.24657 0.10200 0.00002 -0.00002 96 6 Cl 1S 0.00000 0.00000 0.00000 0.00051 -0.00396 97 2S 0.00000 0.00000 0.00000 -0.00182 -0.00133 98 2PX 0.00000 0.00000 0.00000 0.00129 0.00019 99 2PY 0.00000 0.00000 0.00000 0.00719 -0.00495 100 2PZ 0.00316 0.02772 0.03434 0.00000 0.00000 101 3S -0.00003 -0.00006 -0.00003 0.00762 -0.10093 102 3PX -0.00002 0.00001 0.00001 -0.00532 -0.00301 103 3PY -0.00001 -0.00001 0.00001 -0.03034 0.02418 104 3PZ -0.00541 -0.11183 -0.14381 0.00000 0.00001 105 4S 0.00009 0.00015 0.00008 0.01015 0.24229 106 4PX 0.00005 0.00000 -0.00002 0.00605 0.02657 107 4PY -0.00001 -0.00001 -0.00002 0.03995 -0.07407 108 4PZ -0.04118 0.15676 0.23424 0.00001 -0.00002 109 5XX -0.00001 0.00001 -0.00008 -0.56551 -0.58708 110 5YY -0.00003 -0.00003 0.00001 -0.01918 -0.00621 111 5ZZ 0.00003 0.00001 0.00007 0.58525 0.57159 112 5XY 0.00000 0.00002 0.00005 -0.09230 0.04152 113 5XZ 0.11861 0.18523 0.32316 0.00001 -0.00018 114 5YZ -0.24661 -0.24657 -0.10196 0.00002 0.00002 115 7 Br 1S 0.00000 0.00000 0.00000 0.00004 -0.00132 116 2S 0.00000 0.00000 0.00000 0.00055 0.00703 117 3S 0.00000 0.00000 0.00000 -0.00228 -0.00505 118 4S 0.00000 0.00000 0.00000 0.00133 -0.02199 119 5S -0.00002 0.00001 0.00005 -0.06517 0.11736 120 6S 0.00004 -0.00002 -0.00009 0.12877 -0.18254 121 7PX 0.00000 0.00000 0.00000 -0.00069 -0.00221 122 7PY 0.00000 0.00000 0.00000 0.00134 -0.00311 123 7PZ 0.00746 0.00406 -0.01244 0.00000 0.00000 124 8PX 0.00000 0.00000 0.00000 0.00209 0.00722 125 8PY 0.00000 -0.00001 0.00001 -0.00446 0.01019 126 8PZ -0.02421 -0.01345 0.04077 0.00000 0.00000 127 9PX 0.00000 0.00000 0.00000 0.00534 -0.03095 128 9PY 0.00001 0.00003 -0.00003 0.02548 -0.04535 129 9PZ 0.08775 0.06410 -0.16824 0.00000 0.00002 130 10PX 0.00001 -0.00002 0.00003 -0.08280 0.07655 131 10PY -0.00002 -0.00007 0.00008 -0.09131 0.09788 132 10PZ -0.11705 -0.14409 0.29370 0.00000 -0.00003 133 11XX 0.00000 0.00000 0.00000 -0.00883 -0.00510 134 11YY 0.00000 0.00000 0.00000 0.00035 0.00839 135 11ZZ 0.00000 0.00001 0.00000 0.01237 0.00140 136 11XY 0.00000 -0.00001 0.00001 -0.01323 0.00950 137 11XZ -0.00161 -0.01922 0.02943 0.00000 0.00000 138 11YZ 0.00270 -0.02227 0.02030 0.00000 0.00000 139 12XX -0.00001 0.00002 0.00002 0.04732 0.04650 140 12YY 0.00000 0.00002 -0.00001 -0.00843 -0.02388 141 12ZZ -0.00001 -0.00003 0.00003 -0.08244 0.02073 142 12XY 0.00001 0.00005 -0.00006 0.08709 -0.05812 143 12XZ 0.00730 0.10755 -0.15917 0.00000 0.00001 144 12YZ -0.01417 0.11994 -0.11035 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00004 0.00132 146 2S 0.00000 0.00000 0.00000 0.00055 -0.00703 147 3S 0.00000 0.00000 0.00000 -0.00228 0.00505 148 4S 0.00000 0.00000 0.00000 0.00133 0.02200 149 5S 0.00001 0.00002 -0.00003 -0.06519 -0.11736 150 6S -0.00002 -0.00006 0.00006 0.12882 0.18252 151 7PX 0.00000 0.00000 0.00000 0.00069 -0.00221 152 7PY 0.00000 0.00000 0.00000 -0.00135 -0.00311 153 7PZ 0.00746 -0.00406 -0.01245 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 -0.00209 0.00721 155 8PY 0.00000 0.00001 0.00001 0.00446 0.01020 156 8PZ -0.02420 0.01344 0.04078 0.00000 0.00000 157 9PX -0.00001 0.00000 0.00000 -0.00534 -0.03094 158 9PY 0.00001 -0.00003 -0.00003 -0.02550 -0.04536 159 9PZ 0.08773 -0.06406 -0.16825 0.00000 0.00002 160 10PX 0.00002 0.00001 0.00001 0.08280 0.07652 161 10PY -0.00001 0.00006 0.00007 0.09136 0.09791 162 10PZ -0.11702 0.14403 0.29372 0.00001 -0.00003 163 11XX 0.00000 0.00000 0.00000 -0.00883 0.00510 164 11YY 0.00000 0.00000 0.00000 0.00035 -0.00839 165 11ZZ 0.00000 0.00001 0.00000 0.01237 -0.00140 166 11XY 0.00000 -0.00001 -0.00001 -0.01324 -0.00950 167 11XZ 0.00160 -0.01922 -0.02943 0.00000 0.00000 168 11YZ -0.00270 -0.02227 -0.02030 0.00000 0.00000 169 12XX 0.00000 0.00001 -0.00002 0.04731 -0.04654 170 12YY 0.00001 0.00002 0.00001 -0.00842 0.02392 171 12ZZ 0.00001 -0.00002 -0.00001 -0.08247 -0.02071 172 12XY -0.00001 0.00004 0.00004 0.08712 0.05812 173 12XZ -0.00729 0.10751 0.15917 0.00001 -0.00001 174 12YZ 0.01417 0.11993 0.11038 0.00001 0.00000 146 147 148 149 150 V V V V V Eigenvalues -- 0.86491 0.86715 0.89139 0.91489 0.91722 1 1 Al 1S 0.00000 0.00000 -0.01204 -0.00292 0.01287 2 2S 0.00000 0.00000 0.01503 0.02208 0.00110 3 2PX 0.00000 -0.00001 0.04034 -0.01907 -0.02112 4 2PY 0.00000 0.00000 0.01366 0.00884 0.01163 5 2PZ 0.02123 0.01318 0.00001 -0.00001 -0.00001 6 3S 0.00011 0.00005 -0.42700 -0.04789 0.56258 7 3PX 0.00001 0.00006 -0.37834 0.12016 0.21829 8 3PY 0.00003 0.00002 -0.10121 -0.06833 -0.06011 9 3PZ -0.10675 -0.10191 -0.00006 0.00005 0.00006 10 4S -0.00016 0.00003 -0.52206 -0.28701 -0.30999 11 4PX 0.00009 -0.00001 -0.01176 -0.08769 0.39871 12 4PY -0.00006 -0.00012 0.63586 -0.69918 -0.62035 13 4PZ -0.14313 -0.20402 -0.00011 0.00005 0.00007 14 5XX 0.00000 0.00004 -0.16224 0.33056 0.30006 15 5YY -0.00001 -0.00001 0.17758 -0.00572 -0.23726 16 5ZZ -0.00002 -0.00001 -0.04927 -0.26437 -0.12845 17 5XY 0.00002 0.00002 -0.15893 0.06142 0.12587 18 5XZ -0.11413 -0.08492 -0.00003 0.00002 0.00001 19 5YZ -0.07736 -0.06367 -0.00003 -0.00003 0.00001 20 2 Al 1S 0.00000 0.00000 -0.01203 -0.00295 -0.01287 21 2S 0.00000 0.00000 0.01502 0.02208 -0.00113 22 2PX 0.00000 0.00001 -0.04034 0.01904 -0.02115 23 2PY 0.00000 0.00000 -0.01367 -0.00881 0.01164 24 2PZ 0.02122 -0.01319 -0.00001 0.00001 -0.00001 25 3S -0.00010 0.00005 -0.42700 -0.04893 -0.56257 26 3PX 0.00001 -0.00006 0.37831 -0.11979 0.21851 27 3PY 0.00002 -0.00002 0.10125 0.06819 -0.06017 28 3PZ -0.10670 0.10197 0.00005 -0.00004 0.00006 29 4S 0.00016 0.00002 -0.52188 -0.28647 0.31048 30 4PX 0.00009 0.00001 0.01189 0.08836 0.39861 31 4PY -0.00005 0.00012 -0.63584 0.69810 -0.62162 32 4PZ -0.14303 0.20411 0.00010 -0.00004 0.00007 33 5XX 0.00000 0.00004 -0.16220 0.33001 -0.30067 34 5YY 0.00001 -0.00001 0.17753 -0.00526 0.23725 35 5ZZ 0.00002 -0.00001 -0.04928 -0.26414 0.12897 36 5XY -0.00001 0.00002 -0.15896 0.06121 -0.12609 37 5XZ 0.11409 -0.08497 -0.00003 0.00002 -0.00001 38 5YZ 0.07735 -0.06372 -0.00003 -0.00003 -0.00002 39 3 Cl 1S 0.00582 0.00000 -0.00221 -0.00822 0.00000 40 2S -0.00228 0.00000 -0.00484 -0.01092 0.00001 41 2PX -0.00001 -0.02719 -0.00001 0.00002 0.01666 42 2PY 0.00001 0.01695 0.00000 0.00003 0.03757 43 2PZ -0.00118 0.00000 -0.01198 -0.00358 0.00000 44 3S 0.13990 -0.00004 -0.06714 -0.23307 0.00012 45 3PX 0.00003 0.12008 0.00004 -0.00009 -0.07838 46 3PY -0.00003 -0.06944 0.00001 -0.00016 -0.17434 47 3PZ 0.00374 0.00000 0.04850 0.01071 -0.00001 48 4S -0.28488 0.00010 0.16020 0.62187 -0.00036 49 4PX -0.00004 -0.24113 -0.00010 0.00024 0.19449 50 4PY 0.00005 0.10698 -0.00003 0.00032 0.37393 51 4PZ -0.00659 0.00002 -0.05750 0.11357 -0.00008 52 5XX -0.24143 0.00009 0.10184 0.58976 -0.00044 53 5YY 0.14058 -0.00007 0.04590 -0.30952 0.00020 54 5ZZ 0.11967 -0.00003 -0.16527 -0.33203 0.00028 55 5XY -0.08609 0.00010 -0.49791 0.04051 -0.00007 56 5XZ -0.00005 -0.06300 -0.00007 0.00006 0.07362 57 5YZ 0.00000 -0.10193 -0.00007 0.00045 0.48966 58 4 Cl 1S -0.00582 0.00000 -0.00221 -0.00822 0.00001 59 2S 0.00228 0.00000 -0.00484 -0.01091 0.00001 60 2PX 0.00000 0.02719 0.00001 0.00001 0.01666 61 2PY 0.00000 -0.01695 0.00000 0.00003 0.03757 62 2PZ -0.00118 0.00000 0.01198 0.00358 -0.00001 63 3S -0.13990 0.00004 -0.06715 -0.23308 0.00026 64 3PX -0.00002 -0.12008 -0.00004 -0.00005 -0.07838 65 3PY 0.00001 0.06944 0.00001 -0.00015 -0.17434 66 3PZ 0.00374 0.00000 -0.04850 -0.01070 0.00002 67 4S 0.28488 -0.00008 0.16022 0.62186 -0.00070 68 4PX 0.00007 0.24112 0.00009 0.00013 0.19448 69 4PY -0.00003 -0.10697 -0.00003 0.00032 0.37393 70 4PZ -0.00659 -0.00002 0.05749 -0.11359 0.00008 71 5XX 0.24144 -0.00005 0.10185 0.58975 -0.00060 72 5YY -0.14058 0.00002 0.04589 -0.30953 0.00027 73 5ZZ -0.11967 0.00004 -0.16527 -0.33201 0.00038 74 5XY 0.08609 0.00002 -0.49792 0.04052 -0.00007 75 5XZ 0.00000 -0.06300 -0.00002 -0.00010 -0.07361 76 5YZ -0.00003 -0.10194 -0.00003 -0.00043 -0.48966 77 5 Cl 1S 0.00000 0.00000 -0.02164 0.00795 0.01604 78 2S 0.00000 0.00000 0.00030 0.00300 -0.00074 79 2PX 0.00000 0.00000 0.00817 -0.00325 -0.01075 80 2PY 0.00000 0.00000 0.04069 -0.00031 -0.02958 81 2PZ 0.01555 0.00791 0.00000 0.00000 0.00000 82 3S 0.00000 0.00006 -0.53510 0.20577 0.39603 83 3PX 0.00001 0.00001 -0.03250 0.01290 0.04675 84 3PY 0.00000 0.00001 -0.18584 0.00504 0.13639 85 3PZ -0.06497 -0.03401 -0.00002 0.00002 0.00002 86 4S -0.00001 -0.00014 1.14467 -0.52895 -0.84154 87 4PX -0.00002 -0.00001 0.04886 -0.00844 -0.10065 88 4PY 0.00001 -0.00003 0.38586 -0.05823 -0.28770 89 4PZ 0.10775 0.07434 0.00003 -0.00004 -0.00004 90 5XX -0.00012 0.00001 -0.16641 -0.12320 -0.09044 91 5YY 0.00000 0.00001 0.01727 0.04977 -0.06931 92 5ZZ 0.00011 -0.00001 0.04989 0.11177 0.23248 93 5XY 0.00001 0.00000 0.16284 -0.05688 -0.19368 94 5XZ 0.60491 0.67044 0.00005 -0.00001 0.00000 95 5YZ 0.19424 0.11545 0.00008 -0.00012 -0.00007 96 6 Cl 1S 0.00000 0.00000 -0.02164 0.00792 -0.01606 97 2S 0.00000 0.00000 0.00030 0.00300 0.00073 98 2PX 0.00000 0.00000 -0.00816 0.00323 -0.01076 99 2PY 0.00000 0.00000 -0.04069 0.00025 -0.02959 100 2PZ 0.01555 -0.00792 0.00000 0.00000 0.00000 101 3S 0.00000 0.00006 -0.53508 0.20508 -0.39642 102 3PX 0.00001 -0.00001 0.03246 -0.01279 0.04676 103 3PY 0.00000 -0.00001 0.18583 -0.00478 0.13642 104 3PZ -0.06495 0.03405 0.00002 -0.00001 0.00002 105 4S -0.00001 -0.00014 1.14460 -0.52748 0.84253 106 4PX -0.00002 0.00001 -0.04880 0.00822 -0.10064 107 4PY 0.00001 0.00003 -0.38584 0.05771 -0.28783 108 4PZ 0.10772 -0.07441 -0.00003 0.00003 -0.00003 109 5XX 0.00012 0.00001 -0.16641 -0.12305 0.09060 110 5YY 0.00000 0.00001 0.01730 0.04989 0.06927 111 5ZZ -0.00012 -0.00001 0.04986 0.11138 -0.23267 112 5XY -0.00001 0.00000 0.16282 -0.05660 0.19373 113 5XZ -0.60452 0.67074 0.00005 -0.00002 0.00000 114 5YZ -0.19424 0.11565 0.00007 -0.00010 0.00006 115 7 Br 1S 0.00000 0.00000 0.00075 0.00543 0.00031 116 2S 0.00000 0.00000 -0.00585 -0.03674 -0.00152 117 3S 0.00000 0.00000 0.00910 0.04571 0.00076 118 4S 0.00000 0.00000 0.00936 0.08312 0.00554 119 5S 0.00001 0.00001 -0.40028 -0.55153 0.19049 120 6S -0.00002 -0.00001 0.86087 1.09089 -0.41715 121 7PX 0.00000 0.00000 -0.00121 0.01544 0.00766 122 7PY 0.00000 0.00000 0.01182 0.00168 -0.01108 123 7PZ -0.00516 -0.00473 0.00000 0.00000 0.00000 124 8PX 0.00000 0.00000 0.00358 -0.05059 -0.02487 125 8PY 0.00000 0.00001 -0.03918 -0.00524 0.03677 126 8PZ 0.01699 0.01557 0.00001 -0.00001 -0.00001 127 9PX 0.00001 0.00001 0.01861 0.19807 0.07928 128 9PY -0.00002 -0.00003 0.19701 -0.00125 -0.18654 129 9PZ -0.07557 -0.06800 -0.00003 0.00002 0.00003 130 10PX -0.00001 0.00001 -0.22200 -0.31241 -0.02192 131 10PY 0.00004 0.00007 -0.54345 0.09584 0.50001 132 10PZ 0.14860 0.13711 0.00006 -0.00004 -0.00005 133 11XX 0.00000 0.00000 0.00190 -0.04152 -0.02221 134 11YY 0.00000 0.00000 -0.03445 0.01257 0.04008 135 11ZZ 0.00000 0.00000 0.02021 -0.03106 -0.01834 136 11XY 0.00000 0.00001 -0.05790 0.01398 0.04553 137 11XZ 0.01849 0.01189 0.00000 0.00000 0.00000 138 11YZ 0.01735 0.01484 0.00000 0.00000 0.00000 139 12XX 0.00000 0.00001 -0.15526 -0.03470 0.18187 140 12YY 0.00000 -0.00003 0.03626 -0.32979 -0.16112 141 12ZZ 0.00002 0.00002 -0.29656 -0.07330 0.19175 142 12XY -0.00003 -0.00005 0.35458 -0.10265 -0.28428 143 12XZ -0.10189 -0.06788 -0.00002 0.00000 0.00002 144 12YZ -0.09385 -0.08092 -0.00002 0.00001 0.00001 145 8 Br 1S 0.00000 0.00000 0.00075 0.00543 -0.00032 146 2S 0.00000 0.00000 -0.00585 -0.03674 0.00159 147 3S 0.00000 0.00000 0.00910 0.04571 -0.00084 148 4S 0.00000 0.00000 0.00936 0.08311 -0.00570 149 5S -0.00001 0.00001 -0.40025 -0.55189 -0.18952 150 6S 0.00002 -0.00001 0.86079 1.09169 0.41525 151 7PX 0.00000 0.00000 0.00121 -0.01542 0.00769 152 7PY 0.00000 0.00000 -0.01182 -0.00170 -0.01108 153 7PZ -0.00515 0.00474 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 -0.00359 0.05054 -0.02497 155 8PY 0.00000 0.00000 0.03918 0.00531 0.03676 156 8PZ 0.01699 -0.01558 -0.00001 0.00000 -0.00001 157 9PX 0.00001 -0.00001 -0.01860 -0.19791 0.07967 158 9PY -0.00001 0.00003 -0.19699 0.00088 -0.18654 159 9PZ -0.07554 0.06805 0.00003 -0.00002 0.00003 160 10PX -0.00001 -0.00001 0.22192 0.31237 -0.02251 161 10PY 0.00003 -0.00007 0.54343 -0.09488 0.50022 162 10PZ 0.14853 -0.13720 -0.00005 0.00003 -0.00005 163 11XX 0.00000 0.00000 0.00191 -0.04149 0.02229 164 11YY 0.00000 0.00000 -0.03446 0.01250 -0.04011 165 11ZZ 0.00000 0.00000 0.02021 -0.03102 0.01840 166 11XY 0.00000 0.00001 -0.05789 0.01389 -0.04555 167 11XZ -0.01848 0.01190 0.00000 0.00000 0.00000 168 11YZ -0.01734 0.01485 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00001 -0.15532 -0.03502 -0.18186 170 12YY 0.00000 -0.00002 0.03634 -0.32953 0.16176 171 12ZZ -0.00001 0.00002 -0.29654 -0.07365 -0.19166 172 12XY 0.00002 -0.00005 0.35453 -0.10208 0.28446 173 12XZ 0.10185 -0.06793 -0.00002 0.00000 -0.00002 174 12YZ 0.09383 -0.08098 -0.00002 0.00000 -0.00001 151 152 153 154 155 V V V V V Eigenvalues -- 0.95300 0.96076 0.96510 0.97379 1.00319 1 1 Al 1S -0.01919 0.00000 0.00000 -0.02130 -0.01612 2 2S 0.07242 0.00000 -0.00003 0.03919 0.05077 3 2PX 0.06432 -0.00002 -0.00002 0.04904 -0.00743 4 2PY 0.06772 -0.00001 -0.00002 0.06161 0.04314 5 2PZ 0.00000 0.02467 -0.02498 0.00001 0.00000 6 3S -0.47989 0.00020 0.00006 -0.71922 -0.43971 7 3PX -0.63077 0.00012 0.00019 -0.46376 -0.05210 8 3PY -0.56648 0.00009 0.00019 -0.54778 -0.34729 9 3PZ 0.00001 -0.12997 0.11114 -0.00007 0.00001 10 4S -1.98291 0.00002 0.00080 -0.77441 -0.94753 11 4PX 0.25063 0.00012 -0.00019 -0.27327 0.50256 12 4PY -0.60148 0.00003 0.00024 -0.70388 -0.14749 13 4PZ 0.00000 -0.15112 0.12486 -0.00008 0.00000 14 5XX -0.16955 0.00012 0.00002 -0.28973 -0.10091 15 5YY -0.04956 0.00001 0.00003 -0.05064 -0.05326 16 5ZZ 0.17693 -0.00013 -0.00003 0.31581 0.09424 17 5XY -0.19173 0.00001 0.00008 -0.12926 -0.41416 18 5XZ -0.00001 0.06408 -0.08056 0.00003 0.00001 19 5YZ -0.00014 0.35235 -0.33603 0.00012 -0.00004 20 2 Al 1S 0.01919 0.00001 -0.00001 -0.02130 -0.01612 21 2S -0.07241 -0.00001 0.00003 0.03921 0.05078 22 2PX 0.06432 0.00002 -0.00002 -0.04903 0.00743 23 2PY 0.06772 0.00002 -0.00003 -0.06162 -0.04314 24 2PZ 0.00000 -0.02466 -0.02499 -0.00001 0.00000 25 3S 0.47975 0.00023 -0.00015 -0.71923 -0.43981 26 3PX -0.63075 -0.00018 0.00025 0.46367 0.05211 27 3PY -0.56650 -0.00015 0.00025 0.54785 0.34735 28 3PZ 0.00000 0.12994 0.11118 0.00006 -0.00001 29 4S 1.98291 0.00022 -0.00088 -0.77471 -0.94774 30 4PX 0.25070 -0.00008 -0.00015 0.27306 -0.50252 31 4PY -0.60146 -0.00010 0.00031 0.70397 0.14768 32 4PZ 0.00000 0.15109 0.12491 0.00006 -0.00001 33 5XX 0.16948 0.00013 -0.00007 -0.28969 -0.10081 34 5YY 0.04959 0.00002 -0.00004 -0.05066 -0.05334 35 5ZZ -0.17686 -0.00014 0.00007 0.31583 0.09426 36 5XY 0.19166 0.00003 -0.00009 -0.12934 -0.41416 37 5XZ 0.00001 0.06401 0.08055 0.00002 0.00000 38 5YZ 0.00011 0.35226 0.33615 0.00008 -0.00004 39 3 Cl 1S 0.00000 0.00000 -0.00385 -0.01219 -0.02247 40 2S 0.00000 0.00000 -0.00089 -0.01279 -0.02104 41 2PX 0.04995 -0.01292 -0.00002 -0.00001 0.00000 42 2PY 0.00047 0.00833 0.00000 0.00001 0.00000 43 2PZ 0.00000 0.00000 -0.00366 0.01563 0.02292 44 3S -0.00005 0.00005 -0.10171 -0.34013 -0.62473 45 3PX -0.23815 0.05548 0.00010 0.00003 0.00002 46 3PY -0.00949 -0.04919 0.00000 -0.00003 0.00003 47 3PZ -0.00001 0.00002 0.01499 -0.08707 -0.11950 48 4S 0.00010 -0.00009 0.23373 0.84853 1.64142 49 4PX 0.71856 -0.12183 -0.00031 -0.00008 -0.00006 50 4PY 0.08012 0.14785 -0.00003 0.00008 -0.00008 51 4PZ 0.00002 -0.00005 -0.00679 0.32164 0.51573 52 5XX -0.00006 0.00011 -0.09931 0.02942 -0.07134 53 5YY 0.00006 0.00001 0.14525 -0.34164 -0.04637 54 5ZZ 0.00000 -0.00011 -0.05700 0.24555 0.00895 55 5XY -0.00008 -0.00001 -0.24926 0.22279 -0.06790 56 5XZ 0.31046 0.08117 -0.00011 0.00002 -0.00006 57 5YZ 0.23769 0.22014 -0.00007 0.00007 -0.00007 58 4 Cl 1S 0.00000 0.00000 0.00385 -0.01219 -0.02247 59 2S 0.00000 0.00000 0.00089 -0.01278 -0.02104 60 2PX 0.04995 0.01292 -0.00002 0.00000 -0.00001 61 2PY 0.00047 -0.00833 0.00000 0.00000 0.00000 62 2PZ -0.00001 0.00000 -0.00366 -0.01563 -0.02292 63 3S -0.00001 0.00002 0.10168 -0.34014 -0.62473 64 3PX -0.23815 -0.05550 0.00008 0.00000 0.00003 65 3PY -0.00949 0.04918 0.00001 0.00002 0.00001 66 3PZ 0.00003 -0.00003 0.01500 0.08706 0.11950 67 4S 0.00000 -0.00003 -0.23366 0.84855 1.64140 68 4PX 0.71855 0.12190 -0.00027 0.00001 -0.00009 69 4PY 0.08013 -0.14783 -0.00006 -0.00008 -0.00005 70 4PZ -0.00007 0.00005 -0.00682 -0.32163 -0.51573 71 5XX 0.00005 0.00003 0.09930 0.02941 -0.07134 72 5YY -0.00010 0.00010 -0.14528 -0.34162 -0.04637 73 5ZZ 0.00005 -0.00012 0.05703 0.24554 0.00895 74 5XY 0.00001 -0.00005 0.24928 0.22277 -0.06789 75 5XZ -0.31047 0.08114 0.00011 0.00002 0.00003 76 5YZ -0.23771 0.22011 0.00015 0.00008 0.00001 77 5 Cl 1S -0.00438 0.00000 0.00000 0.00224 -0.00743 78 2S -0.00374 0.00000 0.00000 -0.00006 -0.00278 79 2PX 0.01630 -0.00001 0.00000 0.00952 -0.03401 80 2PY 0.01851 0.00000 0.00000 0.00877 0.00988 81 2PZ -0.00001 0.01609 -0.01813 0.00001 0.00000 82 3S -0.11928 0.00002 0.00002 0.05674 -0.19384 83 3PX -0.07224 0.00003 0.00001 -0.04728 0.16266 84 3PY -0.08793 0.00001 0.00002 -0.04293 -0.04996 85 3PZ 0.00003 -0.07966 0.08874 -0.00003 0.00000 86 4S 0.25682 -0.00002 -0.00006 -0.21787 0.39464 87 4PX 0.14203 -0.00007 -0.00001 0.15213 -0.39024 88 4PY 0.21019 -0.00003 -0.00005 0.07478 0.13583 89 4PZ -0.00006 0.20426 -0.21520 0.00009 -0.00001 90 5XX -0.13929 0.00000 0.00004 -0.00289 0.11181 91 5YY 0.13380 -0.00001 -0.00005 0.15994 -0.06870 92 5ZZ -0.01881 0.00002 0.00002 -0.15054 -0.07689 93 5XY 0.25944 -0.00014 -0.00001 0.26516 -0.53173 94 5XZ 0.00003 -0.05553 0.09229 -0.00003 0.00002 95 5YZ -0.00024 0.62922 -0.60352 0.00021 -0.00005 96 6 Cl 1S 0.00439 0.00000 0.00000 0.00224 -0.00743 97 2S 0.00374 0.00000 0.00000 -0.00006 -0.00278 98 2PX 0.01629 0.00001 0.00000 -0.00952 0.03400 99 2PY 0.01851 0.00000 0.00000 -0.00877 -0.00988 100 2PZ 0.00000 -0.01609 -0.01813 0.00000 0.00000 101 3S 0.11931 0.00002 -0.00002 0.05675 -0.19377 102 3PX -0.07222 -0.00003 0.00002 0.04728 -0.16263 103 3PY -0.08794 -0.00002 0.00002 0.04294 0.04995 104 3PZ 0.00002 0.07964 0.08876 0.00002 -0.00001 105 4S -0.25686 -0.00002 0.00004 -0.21786 0.39447 106 4PX 0.14200 0.00008 -0.00003 -0.15211 0.39017 107 4PY 0.21021 0.00004 -0.00007 -0.07482 -0.13580 108 4PZ -0.00005 -0.20421 -0.21526 -0.00006 0.00002 109 5XX 0.13934 0.00001 -0.00004 -0.00297 0.11187 110 5YY -0.13385 -0.00003 0.00007 0.16000 -0.06876 111 5ZZ 0.01881 0.00002 -0.00004 -0.15053 -0.07689 112 5XY -0.25952 -0.00015 0.00005 0.26506 -0.53165 113 5XZ -0.00003 -0.05558 -0.09238 -0.00002 0.00002 114 5YZ 0.00018 0.62905 0.60368 0.00014 -0.00004 115 7 Br 1S 0.00635 0.00000 0.00000 0.00645 -0.00109 116 2S -0.04625 0.00000 0.00001 -0.04576 0.00401 117 3S 0.06461 -0.00001 -0.00002 0.06162 0.00234 118 4S 0.09104 -0.00001 -0.00003 0.09466 -0.02372 119 5S -1.66947 0.00026 0.00052 -1.57809 -0.58559 120 6S 3.76319 -0.00060 -0.00118 3.51872 1.47323 121 7PX 0.01201 0.00000 0.00000 0.00836 0.00225 122 7PY 0.00232 0.00000 0.00000 0.00276 -0.01156 123 7PZ 0.00000 -0.00359 0.00339 0.00000 0.00000 124 8PX -0.04059 0.00000 0.00002 -0.02858 -0.00830 125 8PY -0.00856 0.00001 0.00000 -0.00997 0.03733 126 8PZ 0.00000 0.01156 -0.01090 0.00000 0.00000 127 9PX 0.26025 0.00000 -0.00009 0.20724 0.11084 128 9PY 0.10730 -0.00004 -0.00001 0.11030 -0.10227 129 9PZ 0.00001 -0.03541 0.03216 -0.00001 0.00000 130 10PX -1.06955 0.00013 0.00036 -0.92476 -0.62449 131 10PY -0.62829 0.00017 0.00015 -0.60124 -0.11181 132 10PZ -0.00002 0.03562 -0.02706 -0.00001 -0.00001 133 11XX -0.07343 0.00001 0.00003 -0.06620 -0.04800 134 11YY -0.03331 0.00001 0.00001 -0.03409 0.01462 135 11ZZ 0.01983 -0.00001 0.00000 0.01822 0.02818 136 11XY -0.07994 0.00002 0.00002 -0.07328 -0.04261 137 11XZ 0.00000 -0.01467 0.01503 -0.00001 0.00000 138 11YZ 0.00000 -0.00303 0.00410 0.00000 0.00000 139 12XX -0.25216 0.00006 0.00006 -0.24176 0.05698 140 12YY -0.51521 0.00004 0.00019 -0.45726 -0.32916 141 12ZZ -0.85728 0.00017 0.00025 -0.79454 -0.44578 142 12XY 0.52006 -0.00012 -0.00014 0.48096 0.30323 143 12XZ -0.00001 0.07976 -0.08191 0.00005 0.00001 144 12YZ 0.00000 0.01938 -0.02544 0.00002 0.00001 145 8 Br 1S -0.00635 0.00000 0.00000 0.00645 -0.00109 146 2S 0.04625 0.00001 -0.00002 -0.04576 0.00399 147 3S -0.06461 -0.00001 0.00003 0.06162 0.00236 148 4S -0.09106 -0.00001 0.00004 0.09465 -0.02368 149 5S 1.66945 0.00041 -0.00070 -1.57812 -0.58592 150 6S -3.76308 -0.00095 0.00157 3.51883 1.47391 151 7PX 0.01201 0.00000 -0.00001 -0.00836 -0.00225 152 7PY 0.00232 0.00000 0.00000 -0.00276 0.01156 153 7PZ 0.00000 0.00359 0.00339 0.00000 0.00000 154 8PX -0.04060 0.00000 0.00002 0.02857 0.00832 155 8PY -0.00857 0.00000 0.00000 0.00997 -0.03733 156 8PZ 0.00000 -0.01156 -0.01090 0.00000 0.00000 157 9PX 0.26026 0.00003 -0.00012 -0.20722 -0.11091 158 9PY 0.10735 0.00004 -0.00003 -0.11031 0.10226 159 9PZ 0.00001 0.03540 0.03217 0.00000 0.00000 160 10PX -1.06944 -0.00023 0.00046 0.92472 0.62465 161 10PY -0.62841 -0.00022 0.00023 0.60135 0.11192 162 10PZ -0.00003 -0.03562 -0.02706 0.00002 0.00002 163 11XX 0.07341 0.00001 -0.00003 -0.06618 -0.04800 164 11YY 0.03333 0.00001 -0.00001 -0.03410 0.01461 165 11ZZ -0.01982 -0.00001 0.00001 0.01822 0.02818 166 11XY 0.07994 0.00003 -0.00003 -0.07329 -0.04263 167 11XZ 0.00000 -0.01466 -0.01503 -0.00001 0.00000 168 11YZ 0.00000 -0.00303 -0.00410 0.00000 0.00000 169 12XX 0.25229 0.00008 -0.00010 -0.24186 0.05688 170 12YY 0.51507 0.00009 -0.00023 -0.45720 -0.32919 171 12ZZ 0.85723 0.00025 -0.00034 -0.79456 -0.44589 172 12XY -0.52005 -0.00017 0.00020 0.48101 0.30330 173 12XZ 0.00000 0.07973 0.08193 0.00004 0.00001 174 12YZ -0.00001 0.01938 0.02546 0.00002 0.00001 156 157 158 159 160 V V V V V Eigenvalues -- 1.02794 1.09697 1.09732 1.10337 1.15222 1 1 Al 1S 0.00682 -0.00056 0.00895 0.01599 -0.00001 2 2S -0.10988 0.00750 -0.11923 -0.05768 0.00003 3 2PX -0.00902 -0.00681 0.10787 0.13580 -0.00006 4 2PY -0.03214 -0.00252 0.04000 0.03478 -0.00002 5 2PZ 0.00000 0.08190 0.00515 -0.00001 -0.08388 6 3S -0.23516 -0.00457 0.07365 0.57306 -0.00039 7 3PX 0.21385 0.04813 -0.76135 -1.13069 0.00045 8 3PY 0.26623 0.02757 -0.43704 -0.31432 0.00017 9 3PZ -0.00001 -0.62544 -0.03934 -0.00002 0.49787 10 4S 3.49873 -0.12809 2.04101 0.38553 -0.00029 11 4PX -1.61365 0.06450 -1.02588 -0.44490 0.00021 12 4PY 0.55956 -0.01310 0.20987 -0.21352 0.00008 13 4PZ 0.00003 -0.06971 -0.00434 0.00012 0.35003 14 5XX 0.07323 0.02480 -0.39390 -0.18393 0.00012 15 5YY 0.13142 0.01940 -0.30772 -0.26247 0.00010 16 5ZZ -0.04798 -0.00876 0.13833 0.03381 0.00002 17 5XY 0.49497 0.02995 -0.47405 -0.53435 0.00022 18 5XZ -0.00001 0.54748 0.03439 -0.00004 -0.47810 19 5YZ 0.00004 -0.22296 -0.01402 0.00000 0.19364 20 2 Al 1S -0.00682 0.00055 -0.00894 0.01600 -0.00001 21 2S 0.10987 -0.00746 0.11917 -0.05780 0.00002 22 2PX -0.00902 -0.00674 0.10775 -0.13590 0.00004 23 2PY -0.03214 -0.00251 0.03998 -0.03483 0.00001 24 2PZ 0.00000 0.08189 0.00516 0.00005 0.08389 25 3S 0.23527 0.00430 -0.07314 0.57310 -0.00033 26 3PX 0.21383 0.04752 -0.76031 1.13135 -0.00036 27 3PY 0.26623 0.02741 -0.43687 0.31485 -0.00011 28 3PZ 0.00000 -0.62540 -0.03938 -0.00030 -0.49794 29 4S -3.49871 0.12787 -2.04053 0.38774 -0.00008 30 4PX -1.61376 0.06425 -1.02541 0.44597 -0.00011 31 4PY 0.55930 -0.01321 0.20995 0.21332 -0.00009 32 4PZ 0.00002 -0.06967 -0.00438 -0.00015 -0.35004 33 5XX -0.07314 -0.02470 0.39366 -0.18418 0.00008 34 5YY -0.13153 -0.01927 0.30758 -0.26286 0.00007 35 5ZZ 0.04795 0.00874 -0.13830 0.03394 0.00002 36 5XY -0.49499 -0.02967 0.47360 -0.53475 0.00016 37 5XZ 0.00002 -0.54746 -0.03443 -0.00031 -0.47818 38 5YZ -0.00004 0.22290 0.01404 0.00011 0.19359 39 3 Cl 1S 0.00000 0.01913 0.00121 0.02427 -0.00001 40 2S 0.00000 0.05101 0.00323 0.04464 -0.00002 41 2PX -0.05924 0.00279 -0.04439 0.00003 0.01480 42 2PY 0.03843 -0.00083 0.01318 -0.00001 -0.00570 43 2PZ 0.00000 -0.02016 -0.00127 -0.02000 0.00000 44 3S 0.00006 0.61375 0.03896 0.73479 -0.00023 45 3PX 0.28289 -0.01473 0.23424 -0.00019 -0.12284 46 3PY -0.18341 0.00479 -0.07626 0.00005 0.04788 47 3PZ 0.00001 0.15840 0.01000 0.15052 -0.00002 48 4S -0.00014 -1.42069 -0.09035 -1.85707 0.00066 49 4PX -0.91035 0.05470 -0.87213 0.00071 0.70701 50 4PY 0.48827 -0.02572 0.41072 -0.00026 -0.27926 51 4PZ -0.00001 -0.79601 -0.05048 -0.90472 0.00028 52 5XX 0.00002 -0.15416 -0.00962 0.12292 -0.00005 53 5YY -0.00003 0.54577 0.03446 0.38910 -0.00009 54 5ZZ 0.00001 -0.23243 -0.01476 -0.36283 0.00009 55 5XY -0.00002 0.38110 0.02408 0.25474 -0.00011 56 5XZ -0.08266 0.03158 -0.50336 0.00047 0.64712 57 5YZ 0.15263 -0.01359 0.21756 -0.00016 -0.25659 58 4 Cl 1S 0.00000 -0.01914 -0.00119 0.02427 -0.00001 59 2S 0.00000 -0.05103 -0.00319 0.04461 -0.00002 60 2PX -0.05924 0.00280 -0.04440 0.00001 -0.01480 61 2PY 0.03842 -0.00083 0.01318 0.00000 0.00570 62 2PZ 0.00000 -0.02017 -0.00125 0.01999 0.00000 63 3S -0.00002 -0.61415 -0.03824 0.73449 -0.00029 64 3PX 0.28289 -0.01474 0.23426 -0.00005 0.12283 65 3PY -0.18340 0.00481 -0.07627 0.00001 -0.04787 66 3PZ 0.00000 0.15849 0.00987 -0.15045 0.00003 67 4S 0.00007 1.42169 0.08850 -1.85635 0.00081 68 4PX -0.91034 0.05474 -0.87219 0.00022 -0.70691 69 4PY 0.48827 -0.02583 0.41074 -0.00008 0.27922 70 4PZ 0.00003 -0.79651 -0.04963 0.90431 -0.00036 71 5XX -0.00003 0.15407 0.00977 0.12300 0.00001 72 5YY 0.00007 -0.54598 -0.03414 0.38883 -0.00019 73 5ZZ -0.00004 0.23265 0.01444 -0.36272 0.00012 74 5XY -0.00001 -0.38123 -0.02382 0.25454 -0.00008 75 5XZ 0.08266 -0.03160 0.50343 -0.00006 0.64706 76 5YZ -0.15262 0.01373 -0.21759 -0.00004 -0.25657 77 5 Cl 1S 0.00849 -0.00064 0.01022 0.00627 0.00000 78 2S 0.01184 -0.00060 0.00960 0.01025 -0.00001 79 2PX 0.03260 -0.00125 0.01982 0.00750 0.00000 80 2PY -0.00426 0.00074 -0.01178 0.00064 0.00000 81 2PZ 0.00000 -0.00459 -0.00029 0.00000 -0.00592 82 3S 0.24505 -0.01791 0.28509 0.18473 -0.00013 83 3PX -0.16295 0.00570 -0.09061 -0.03613 0.00002 84 3PY 0.02836 -0.00403 0.06418 0.00968 -0.00001 85 3PZ 0.00000 0.02132 0.00134 0.00001 0.02726 86 4S -0.70727 0.04890 -0.77790 -0.54756 0.00036 87 4PX 0.49008 -0.01774 0.28196 0.17520 -0.00009 88 4PY -0.21479 0.02065 -0.32880 -0.19592 0.00016 89 4PZ 0.00001 -0.00899 -0.00056 -0.00003 -0.09798 90 5XX -0.01488 -0.00809 0.12867 0.10159 -0.00008 91 5YY 0.07193 0.00699 -0.11149 -0.13336 0.00012 92 5ZZ -0.00829 -0.00197 0.03157 0.07178 -0.00007 93 5XY 0.52161 -0.00156 0.02488 0.03725 -0.00002 94 5XZ -0.00003 -0.01996 -0.00125 0.00001 0.02224 95 5YZ 0.00003 -0.03721 -0.00234 -0.00001 -0.00072 96 6 Cl 1S -0.00849 0.00064 -0.01022 0.00628 0.00000 97 2S -0.01184 0.00060 -0.00959 0.01026 -0.00001 98 2PX 0.03261 -0.00124 0.01981 -0.00752 0.00000 99 2PY -0.00426 0.00074 -0.01178 -0.00063 0.00000 100 2PZ 0.00000 -0.00459 -0.00029 0.00000 0.00592 101 3S -0.24510 0.01782 -0.28490 0.18503 -0.00008 102 3PX -0.16299 0.00568 -0.09058 0.03623 -0.00001 103 3PY 0.02834 -0.00402 0.06415 -0.00975 0.00000 104 3PZ 0.00000 0.02131 0.00133 0.00000 -0.02725 105 4S 0.70738 -0.04860 0.77736 -0.54836 0.00024 106 4PX 0.49019 -0.01764 0.28183 -0.17553 0.00006 107 4PY -0.21473 0.02054 -0.32856 0.19624 -0.00011 108 4PZ 0.00001 -0.00899 -0.00055 0.00002 0.09797 109 5XX 0.01504 0.00804 -0.12856 0.10170 -0.00006 110 5YY -0.07209 -0.00693 0.11136 -0.13345 0.00009 111 5ZZ 0.00829 0.00193 -0.03151 0.07182 -0.00005 112 5XY -0.52165 0.00154 -0.02487 0.03733 -0.00002 113 5XZ 0.00003 0.01996 0.00126 0.00002 0.02224 114 5YZ -0.00003 0.03721 0.00234 0.00001 -0.00072 115 7 Br 1S 0.00132 0.00015 -0.00235 0.00091 0.00000 116 2S -0.00401 -0.00088 0.01415 -0.00650 0.00000 117 3S -0.00529 0.00086 -0.01373 0.00874 0.00000 118 4S 0.02895 0.00255 -0.04072 0.01372 0.00000 119 5S 0.75199 0.02820 -0.44348 -0.78774 0.00026 120 6S -1.97318 -0.07342 1.15629 1.85841 -0.00064 121 7PX -0.00416 0.00075 -0.01186 -0.00585 0.00000 122 7PY 0.01262 0.00032 -0.00504 -0.00281 0.00000 123 7PZ 0.00000 0.00140 0.00009 0.00000 0.00273 124 8PX 0.01468 -0.00240 0.03809 0.01829 -0.00001 125 8PY -0.04082 -0.00099 0.01577 0.00848 -0.00001 126 8PZ 0.00000 -0.00459 -0.00029 -0.00001 -0.00898 127 9PX -0.14793 0.00482 -0.07697 0.00716 0.00001 128 9PY 0.11634 -0.00045 0.00692 0.03343 0.00000 129 9PZ 0.00000 0.01894 0.00119 0.00002 0.03803 130 10PX 0.81949 0.01741 -0.27355 -0.49172 0.00016 131 10PY 0.10958 0.02667 -0.42164 -0.48200 0.00017 132 10PZ 0.00001 -0.00173 -0.00013 -0.00006 -0.10612 133 11XX 0.04818 0.00128 -0.02018 -0.03045 0.00001 134 11YY -0.02075 0.00043 -0.00672 -0.00885 0.00000 135 11ZZ -0.01690 -0.00277 0.04386 0.02748 -0.00001 136 11XY 0.04803 0.00357 -0.05645 -0.05976 0.00002 137 11XZ 0.00000 -0.00288 -0.00018 0.00000 -0.00210 138 11YZ 0.00000 -0.00267 -0.00017 0.00000 0.00019 139 12XX 0.01080 -0.00003 0.00078 -0.06271 0.00002 140 12YY 0.44331 0.00653 -0.10253 -0.20954 0.00007 141 12ZZ 0.46861 0.02894 -0.45749 -0.48593 0.00017 142 12XY -0.34033 -0.02627 0.41548 0.43159 -0.00016 143 12XZ -0.00001 0.01125 0.00072 0.00002 0.01545 144 12YZ 0.00000 0.01270 0.00081 0.00002 0.00221 145 8 Br 1S -0.00132 -0.00015 0.00235 0.00091 0.00000 146 2S 0.00402 0.00089 -0.01415 -0.00648 0.00000 147 3S 0.00528 -0.00086 0.01373 0.00872 0.00000 148 4S -0.02897 -0.00255 0.04072 0.01367 0.00000 149 5S -0.75182 -0.02777 0.44287 -0.78809 0.00021 150 6S 1.97286 0.07241 -1.15480 1.85933 -0.00052 151 7PX -0.00416 0.00074 -0.01185 0.00586 0.00000 152 7PY 0.01261 0.00032 -0.00505 0.00281 0.00000 153 7PZ 0.00000 0.00140 0.00009 0.00000 -0.00273 154 8PX 0.01468 -0.00239 0.03807 -0.01833 0.00001 155 8PY -0.04081 -0.00099 0.01578 -0.00849 0.00000 156 8PZ 0.00000 -0.00459 -0.00029 0.00000 0.00898 157 9PX -0.14790 0.00482 -0.07693 -0.00707 0.00000 158 9PY 0.11631 -0.00043 0.00685 -0.03346 0.00001 159 9PZ 0.00000 0.01895 0.00119 -0.00001 -0.03803 160 10PX 0.81938 0.01715 -0.27317 0.49185 -0.00013 161 10PY 0.10968 0.02641 -0.42122 0.48246 -0.00013 162 10PZ 0.00001 -0.00176 -0.00012 0.00006 0.10613 163 11XX -0.04816 -0.00127 0.02015 -0.03045 0.00001 164 11YY 0.02074 -0.00042 0.00672 -0.00886 0.00000 165 11ZZ 0.01690 0.00275 -0.04383 0.02752 -0.00001 166 11XY -0.04804 -0.00354 0.05640 -0.05982 0.00002 167 11XZ 0.00000 0.00288 0.00018 0.00000 -0.00210 168 11YZ 0.00000 0.00267 0.00017 0.00000 0.00019 169 12XX -0.01086 0.00006 -0.00077 -0.06279 0.00002 170 12YY -0.44320 -0.00641 0.10229 -0.20952 0.00006 171 12ZZ -0.46855 -0.02868 0.45710 -0.48633 0.00013 172 12XY 0.34040 0.02604 -0.41511 0.43198 -0.00011 173 12XZ 0.00002 -0.01125 -0.00072 0.00002 0.01546 174 12YZ 0.00001 -0.01270 -0.00082 0.00001 0.00221 161 162 163 164 165 V V V V V Eigenvalues -- 1.25951 1.26507 1.67594 1.72989 2.04457 1 1 Al 1S -0.01111 -0.01169 -0.00012 0.00150 0.09833 2 2S 0.02969 0.02030 0.00329 -0.00817 -0.40705 3 2PX 0.03462 0.02039 -0.02419 -0.00928 0.01069 4 2PY -0.11240 -0.10767 -0.01114 -0.01540 -0.00549 5 2PZ 0.00001 0.00001 0.00000 0.00000 0.00000 6 3S -0.45688 -0.46630 -0.04761 -0.02231 5.41297 7 3PX -0.27464 -0.09597 0.02110 -0.10443 -0.09790 8 3PY 0.86153 0.80365 -0.02265 0.00024 0.01618 9 3PZ -0.00008 -0.00007 0.00001 0.00000 0.00001 10 4S -0.16761 -0.23743 -1.15165 -0.94295 -0.62817 11 4PX 0.02437 0.02589 -0.22684 -0.52003 0.03668 12 4PY 0.38577 0.21358 -0.44434 -0.93076 0.00409 13 4PZ -0.00003 -0.00002 -0.00003 -0.00003 0.00000 14 5XX 0.40654 0.34679 0.05301 0.06358 -2.21091 15 5YY -0.44552 -0.50628 0.05844 0.02439 -2.29102 16 5ZZ 0.34725 0.32799 0.01063 -0.00006 -2.21486 17 5XY 0.04664 0.09211 0.08795 0.05555 -0.04624 18 5XZ 0.00005 0.00004 0.00000 0.00000 -0.00002 19 5YZ 0.00001 0.00001 0.00001 0.00001 0.00001 20 2 Al 1S -0.01111 0.01169 0.00012 0.00150 -0.09830 21 2S 0.02970 -0.02030 -0.00329 -0.00817 0.40692 22 2PX -0.03463 0.02041 -0.02419 0.00928 0.01069 23 2PY 0.11239 -0.10767 -0.01114 0.01540 -0.00549 24 2PZ -0.00001 0.00001 0.00000 0.00000 0.00000 25 3S -0.45683 0.46631 0.04756 -0.02230 -5.41122 26 3PX 0.27477 -0.09605 0.02107 0.10443 -0.09790 27 3PY -0.86149 0.80364 -0.02262 -0.00019 0.01618 28 3PZ 0.00007 -0.00005 0.00001 0.00000 0.00001 29 4S -0.16785 0.23734 1.15173 -0.94309 0.62794 30 4PX -0.02443 0.02581 -0.22665 0.51992 0.03665 31 4PY -0.38570 0.21363 -0.44427 0.93094 0.00409 32 4PZ 0.00003 -0.00001 -0.00003 0.00004 0.00000 33 5XX 0.40652 -0.34677 -0.05299 0.06356 2.21016 34 5YY -0.44553 0.50626 -0.05843 0.02443 2.29027 35 5ZZ 0.34724 -0.32799 -0.01061 -0.00004 2.21415 36 5XY 0.04674 -0.09223 -0.08795 0.05555 0.04623 37 5XZ 0.00004 -0.00003 0.00000 0.00000 0.00002 38 5YZ 0.00001 -0.00002 -0.00001 0.00001 -0.00001 39 3 Cl 1S 0.00513 0.00000 0.00000 -0.00184 0.00000 40 2S 0.02527 0.00000 0.00000 -0.01231 -0.00001 41 2PX 0.00000 0.00742 0.00636 0.00000 -0.01366 42 2PY 0.00000 -0.00163 0.00282 0.00000 0.00451 43 2PZ 0.00274 0.00000 0.00000 -0.01249 -0.00001 44 3S 0.19330 0.00000 0.00002 -0.07889 -0.00002 45 3PX 0.00001 -0.01429 -0.03876 0.00000 0.01546 46 3PY 0.00000 0.00236 -0.01431 -0.00001 -0.00184 47 3PZ 0.02192 -0.00001 0.00000 0.05561 0.00002 48 4S -0.52527 -0.00001 -0.00005 0.40532 0.00007 49 4PX -0.00010 -0.12522 0.29409 -0.00001 -0.00619 50 4PY 0.00003 -0.03717 0.05659 0.00000 -0.00658 51 4PZ -0.32314 -0.00002 0.00000 -0.00833 0.00002 52 5XX -0.02378 -0.00001 0.00000 0.03370 0.00000 53 5YY 0.21093 0.00002 -0.00001 -0.04476 -0.00003 54 5ZZ -0.12246 -0.00001 0.00001 -0.01170 0.00001 55 5XY 0.06198 0.00004 0.00000 0.02624 -0.00003 56 5XZ -0.00005 -0.19910 0.04610 0.00000 0.15930 57 5YZ 0.00005 0.06791 0.01342 0.00000 -0.06281 58 4 Cl 1S 0.00513 0.00000 0.00000 -0.00184 0.00000 59 2S 0.02526 -0.00001 0.00000 -0.01231 0.00000 60 2PX 0.00000 0.00742 0.00636 0.00000 -0.01366 61 2PY 0.00000 -0.00163 0.00282 0.00000 0.00451 62 2PZ -0.00274 0.00000 0.00000 0.01249 0.00000 63 3S 0.19330 -0.00003 0.00001 -0.07890 -0.00002 64 3PX 0.00001 -0.01429 -0.03876 0.00000 0.01546 65 3PY -0.00001 0.00236 -0.01431 0.00001 -0.00184 66 3PZ -0.02193 -0.00001 0.00001 -0.05561 0.00002 67 4S -0.52525 0.00014 -0.00006 0.40532 0.00004 68 4PX 0.00003 -0.12520 0.29409 0.00000 -0.00620 69 4PY 0.00001 -0.03717 0.05659 -0.00006 -0.00658 70 4PZ 0.32313 -0.00004 0.00001 0.00832 -0.00001 71 5XX -0.02378 0.00002 0.00000 0.03370 -0.00002 72 5YY 0.21092 -0.00003 0.00000 -0.04477 -0.00001 73 5ZZ -0.12246 0.00001 0.00000 -0.01170 0.00000 74 5XY 0.06197 -0.00001 0.00000 0.02624 -0.00001 75 5XZ -0.00006 0.19908 -0.04610 0.00000 -0.15929 76 5YZ 0.00001 -0.06790 -0.01342 0.00001 0.06281 77 5 Cl 1S -0.01290 -0.01018 0.00037 0.00410 0.00236 78 2S -0.04564 -0.04696 -0.00503 -0.00262 -0.02731 79 2PX 0.00095 -0.00109 0.01074 0.00235 0.00283 80 2PY -0.02012 -0.02639 -0.00020 -0.00038 -0.02524 81 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 3S -0.45534 -0.38715 -0.00055 0.11056 -0.00102 83 3PX 0.00196 0.01109 -0.05276 -0.01655 -0.01106 84 3PY 0.03232 0.05992 -0.00227 -0.00153 0.09503 85 3PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 86 4S 1.37755 1.23359 0.08112 -0.26103 0.06325 87 4PX -0.08148 -0.10705 0.14072 0.11474 0.00557 88 4PY 0.75221 0.70569 0.08000 0.05360 -0.00551 89 4PZ -0.00002 -0.00002 0.00001 0.00002 0.00000 90 5XX -0.36498 -0.35883 -0.03144 -0.02437 -0.08596 91 5YY 0.63851 0.64363 0.01019 0.02368 0.13369 92 5ZZ -0.36214 -0.37076 0.00870 -0.01623 -0.08527 93 5XY -0.11869 -0.12691 0.03193 0.03291 -0.02588 94 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 5YZ -0.00004 -0.00004 0.00000 0.00000 -0.00001 96 6 Cl 1S -0.01290 0.01018 -0.00037 0.00410 -0.00236 97 2S -0.04564 0.04696 0.00503 -0.00262 0.02730 98 2PX -0.00095 -0.00108 0.01073 -0.00236 0.00283 99 2PY 0.02012 -0.02640 -0.00020 0.00038 -0.02523 100 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 3S -0.45535 0.38713 0.00062 0.11062 0.00100 102 3PX -0.00197 0.01107 -0.05274 0.01657 -0.01107 103 3PY -0.03232 0.05992 -0.00228 0.00153 0.09500 104 3PZ 0.00000 0.00000 0.00000 0.00001 0.00000 105 4S 1.37757 -1.23357 -0.08129 -0.26116 -0.06320 106 4PX 0.08160 -0.10710 0.14063 -0.11478 0.00559 107 4PY -0.75222 0.70566 0.08006 -0.05358 -0.00551 108 4PZ 0.00002 -0.00002 0.00001 -0.00002 0.00000 109 5XX -0.36496 0.35880 0.03144 -0.02438 0.08593 110 5YY 0.63849 -0.64360 -0.01021 0.02368 -0.13364 111 5ZZ -0.36214 0.37076 -0.00870 -0.01622 0.08523 112 5XY -0.11883 0.12704 -0.03191 0.03291 0.02589 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ -0.00003 0.00004 0.00000 0.00000 0.00001 115 7 Br 1S 0.00091 -0.00037 -0.04520 -0.04487 -0.00072 116 2S -0.00446 0.00178 0.22368 0.22293 0.00952 117 3S 0.00183 -0.00085 -0.09151 -0.09153 -0.02251 118 4S 0.01814 -0.00655 -0.95389 -0.95963 -0.00147 119 5S 0.13248 0.12747 -1.09882 -1.46523 -0.08148 120 6S -0.43012 -0.29687 6.34717 7.28236 0.05407 121 7PX 0.00141 -0.00067 0.01289 0.01441 -0.00713 122 7PY 0.00337 0.00371 0.00744 0.00845 -0.00513 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX -0.00450 0.00226 -0.04278 -0.04797 0.02354 125 8PY -0.01094 -0.01200 -0.02474 -0.02810 0.01693 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX 0.00714 -0.01748 0.19205 0.22497 -0.05175 128 9PY 0.03355 0.03397 0.11140 0.13007 -0.03362 129 9PZ -0.00001 0.00000 0.00000 0.00000 0.00000 130 10PX 0.10218 0.12377 -0.43186 -0.56283 -0.01282 131 10PY -0.01837 0.00775 -0.24906 -0.31761 -0.02420 132 10PZ 0.00002 0.00001 0.00000 -0.00001 0.00000 133 11XX -0.00143 -0.00063 0.02022 0.01887 0.00706 134 11YY 0.00027 0.00400 0.02519 0.02976 0.00981 135 11ZZ -0.00030 -0.00300 0.02824 0.02881 0.01433 136 11XY 0.00795 0.00945 -0.00451 -0.00852 -0.00743 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.06615 0.02717 -2.10568 -2.24942 0.07159 140 12YY 0.07065 0.00869 -2.13428 -2.31585 0.02635 141 12ZZ 0.08074 0.05914 -2.14411 -2.30734 -0.05016 142 12XY -0.05701 -0.06957 0.01716 0.04599 0.11649 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00091 0.00037 0.04519 -0.04487 0.00072 146 2S -0.00446 -0.00179 -0.22368 0.22294 -0.00952 147 3S 0.00184 0.00085 0.09151 -0.09153 0.02250 148 4S 0.01816 0.00657 0.95385 -0.95967 0.00148 149 5S 0.13239 -0.12754 1.09875 -1.46532 0.08144 150 6S -0.42997 0.29697 -6.34683 7.28273 -0.05403 151 7PX -0.00141 -0.00067 0.01289 -0.01441 -0.00713 152 7PY -0.00337 0.00371 0.00744 -0.00845 -0.00513 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00451 0.00227 -0.04278 0.04796 0.02353 155 8PY 0.01094 -0.01201 -0.02474 0.02810 0.01693 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX -0.00716 -0.01751 0.19204 -0.22496 -0.05173 158 9PY -0.03354 0.03397 0.11141 -0.13010 -0.03362 159 9PZ 0.00001 0.00000 0.00000 -0.00001 0.00000 160 10PX -0.10211 0.12383 -0.43183 0.56282 -0.01279 161 10PY 0.01836 0.00776 -0.24908 0.31770 -0.02421 162 10PZ -0.00002 0.00001 -0.00001 0.00001 0.00000 163 11XX -0.00143 0.00063 -0.02022 0.01887 -0.00706 164 11YY 0.00027 -0.00400 -0.02519 0.02976 -0.00981 165 11ZZ -0.00030 0.00299 -0.02824 0.02882 -0.01433 166 11XY 0.00795 -0.00945 0.00451 -0.00852 0.00743 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.06617 -0.02717 2.10558 -2.24952 -0.07153 170 12YY 0.07063 -0.00868 2.13418 -2.31594 -0.02636 171 12ZZ 0.08073 -0.05915 2.14402 -2.30744 0.05014 172 12XY -0.05700 0.06958 -0.01716 0.04600 -0.11646 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 167 168 169 170 V V V V V Eigenvalues -- 2.05009 4.20692 4.24359 4.26279 4.28553 1 1 Al 1S 0.09710 0.00000 -0.00317 0.00265 -0.00437 2 2S -0.40179 0.00000 0.01672 -0.02250 0.02052 3 2PX -0.00261 0.00000 -0.00921 0.00261 -0.00428 4 2PY 0.00075 0.00000 0.00047 -0.00746 0.00780 5 2PZ 0.00000 -0.00262 0.00000 0.00000 0.00000 6 3S 5.45475 -0.00006 -0.06902 0.13547 -0.22280 7 3PX 0.01490 0.00001 0.13429 0.00126 0.05379 8 3PY -0.04049 0.00000 -0.08452 -0.05691 0.02826 9 3PZ 0.00001 0.09329 0.00000 0.00000 0.00000 10 4S -0.71597 -0.00010 -0.26975 0.59322 -0.40546 11 4PX 0.05605 0.00006 0.09779 -0.18097 0.18176 12 4PY -0.01110 -0.00003 -0.23000 -0.08523 0.23222 13 4PZ 0.00000 0.12101 0.00000 0.00001 -0.00001 14 5XX -2.32487 0.00002 -0.01803 -0.05344 0.04879 15 5YY -2.34765 0.00002 0.01261 -0.06852 0.06999 16 5ZZ -2.22146 0.00003 -0.00991 -0.06655 0.05719 17 5XY -0.01531 0.00000 0.01581 -0.00292 0.01192 18 5XZ -0.00001 -0.04267 0.00001 0.00000 0.00000 19 5YZ 0.00001 0.01847 0.00000 0.00000 0.00000 20 2 Al 1S 0.09713 0.00000 -0.00317 -0.00265 -0.00437 21 2S -0.40192 0.00000 0.01673 0.02250 0.02052 22 2PX 0.00261 0.00000 0.00921 0.00261 0.00428 23 2PY -0.00075 0.00000 -0.00047 -0.00746 -0.00780 24 2PZ 0.00000 -0.00262 0.00000 0.00000 0.00000 25 3S 5.45649 0.00003 -0.06905 -0.13548 -0.22281 26 3PX -0.01488 -0.00001 -0.13431 0.00127 -0.05378 27 3PY 0.04049 0.00000 0.08450 -0.05693 -0.02826 28 3PZ 0.00000 0.09329 -0.00001 0.00000 0.00000 29 4S -0.71617 0.00007 -0.26986 -0.59317 -0.40542 30 4PX -0.05606 0.00005 -0.09786 -0.18094 -0.18169 31 4PY 0.01111 -0.00002 0.22998 -0.08532 -0.23222 32 4PZ 0.00000 0.12101 -0.00001 0.00001 0.00001 33 5XX -2.32558 -0.00002 -0.01802 0.05345 0.04879 34 5YY -2.34838 -0.00001 0.01263 0.06852 0.07000 35 5ZZ -2.22217 -0.00002 -0.00989 0.06656 0.05718 36 5XY -0.01532 0.00000 0.01581 0.00292 0.01191 37 5XZ -0.00001 0.04267 0.00000 0.00000 0.00000 38 5YZ 0.00000 -0.01847 0.00000 0.00000 0.00000 39 3 Cl 1S -0.00017 0.11895 0.10290 -0.00001 0.05488 40 2S -0.04790 -0.58574 -0.52613 0.00003 -0.29058 41 2PX 0.00000 0.00000 0.00000 -0.00332 0.00000 42 2PY 0.00000 0.00000 0.00000 0.00310 0.00000 43 2PZ -0.01624 0.00543 0.00613 0.00000 0.00067 44 3S -0.09709 3.81654 3.29642 -0.00021 1.75288 45 3PX 0.00002 0.00000 0.00000 0.01902 0.00000 46 3PY -0.00001 0.00000 0.00000 -0.01967 0.00000 47 3PZ 0.01241 -0.03489 -0.04222 0.00000 -0.01143 48 4S 0.32819 0.40129 0.64985 -0.00006 0.51707 49 4PX 0.00000 0.00002 0.00000 -0.11126 -0.00001 50 4PY -0.00001 -0.00002 0.00000 0.11224 -0.00002 51 4PZ 0.09533 0.12848 0.24103 -0.00002 0.14623 52 5XX -0.02768 -1.75028 -1.56020 0.00010 -0.85965 53 5YY -0.15294 -1.77939 -1.58763 0.00010 -0.85614 54 5ZZ 0.03086 -1.75172 -1.54481 0.00010 -0.84575 55 5XY -0.06653 -0.01555 -0.00305 0.00000 -0.01645 56 5XZ -0.00001 0.00000 0.00000 -0.00397 0.00000 57 5YZ -0.00001 0.00000 0.00000 0.01168 0.00000 58 4 Cl 1S -0.00017 -0.11894 0.10291 -0.00001 0.05488 59 2S -0.04790 0.58569 -0.52618 0.00003 -0.29060 60 2PX 0.00001 0.00000 0.00000 -0.00332 0.00000 61 2PY 0.00000 0.00000 0.00000 0.00310 0.00000 62 2PZ 0.01624 0.00543 -0.00613 0.00000 -0.00067 63 3S -0.09709 -3.81626 3.29670 -0.00016 1.75298 64 3PX -0.00002 0.00000 0.00000 0.01902 0.00000 65 3PY 0.00001 0.00000 0.00000 -0.01967 0.00000 66 3PZ -0.01240 -0.03489 0.04222 0.00000 0.01143 67 4S 0.32818 -0.40123 0.64987 -0.00004 0.51708 68 4PX 0.00000 0.00003 -0.00002 -0.11126 0.00000 69 4PY -0.00001 0.00000 0.00000 0.11224 -0.00001 70 4PZ -0.09533 0.12846 -0.24103 0.00001 -0.14623 71 5XX -0.02769 1.75014 -1.56033 0.00008 -0.85970 72 5YY -0.15293 1.77925 -1.58776 0.00008 -0.85618 73 5ZZ 0.03086 1.75159 -1.54494 0.00008 -0.84579 74 5XY -0.06653 0.01555 -0.00305 0.00000 -0.01645 75 5XZ 0.00005 0.00000 0.00000 0.00397 0.00000 76 5YZ -0.00001 0.00000 0.00000 -0.01168 0.00000 77 5 Cl 1S 0.00150 0.00000 -0.05666 -0.11877 0.10372 78 2S -0.02928 0.00001 0.27389 0.58447 -0.51891 79 2PX 0.00180 0.00000 -0.00103 0.00307 -0.00310 80 2PY -0.02741 0.00000 -0.00404 -0.00629 0.00509 81 2PZ 0.00000 -0.00080 0.00000 0.00000 0.00000 82 3S -0.03163 -0.00005 -1.82340 -3.81407 3.33156 83 3PX -0.00364 0.00000 0.00695 -0.01629 0.01785 84 3PY 0.10143 0.00000 0.01963 0.03671 -0.03219 85 3PZ 0.00000 0.00550 0.00000 0.00000 0.00000 86 4S 0.12430 0.00001 -0.15242 -0.46365 0.52205 87 4PX -0.03173 -0.00002 -0.03856 0.06016 -0.07683 88 4PY 0.00727 0.00000 -0.05088 -0.16379 0.16253 89 4PZ 0.00000 -0.03481 0.00000 0.00000 0.00000 90 5XX -0.08179 0.00002 0.83649 1.76566 -1.56194 91 5YY 0.13955 0.00002 0.82202 1.74561 -1.54395 92 5ZZ -0.09400 0.00002 0.83174 1.76556 -1.56317 93 5XY -0.03720 0.00000 -0.00749 0.00550 -0.01058 94 5XZ 0.00000 -0.00072 0.00000 0.00000 0.00000 95 5YZ -0.00001 -0.00639 0.00000 0.00000 0.00000 96 6 Cl 1S 0.00151 0.00000 -0.05664 0.11878 0.10372 97 2S -0.02929 0.00000 0.27381 -0.58454 -0.51888 98 2PX -0.00180 0.00000 0.00103 0.00307 0.00310 99 2PY 0.02742 0.00000 0.00404 -0.00629 -0.00509 100 2PZ 0.00000 -0.00080 0.00000 0.00000 0.00000 101 3S -0.03162 0.00000 -1.82285 3.81452 3.33136 102 3PX 0.00366 0.00000 -0.00694 -0.01629 -0.01786 103 3PY -0.10146 0.00000 -0.01963 0.03671 0.03219 104 3PZ 0.00000 0.00550 0.00000 0.00000 0.00000 105 4S 0.12431 -0.00001 -0.15237 0.46370 0.52201 106 4PX 0.03173 -0.00001 0.03856 0.06017 0.07684 107 4PY -0.00727 0.00000 0.05086 -0.16380 -0.16252 108 4PZ 0.00000 -0.03481 0.00000 0.00000 0.00000 109 5XX -0.08181 0.00000 0.83624 -1.76586 -1.56184 110 5YY 0.13958 0.00000 0.82176 -1.74581 -1.54386 111 5ZZ -0.09403 0.00000 0.83148 -1.76576 -1.56308 112 5XY -0.03724 0.00000 -0.00748 -0.00550 -0.01058 113 5XZ 0.00000 0.00072 0.00000 0.00000 0.00000 114 5YZ -0.00001 0.00639 0.00000 0.00000 0.00000 115 7 Br 1S -0.00073 0.00000 -0.00048 -0.00008 0.00057 116 2S 0.00887 0.00000 0.00566 0.00215 -0.00799 117 3S -0.02009 0.00000 -0.01125 -0.00586 0.01811 118 4S -0.00300 0.00000 -0.01161 -0.00050 0.01000 119 5S -0.16134 -0.00001 -0.15312 0.05249 0.02765 120 6S 0.24382 0.00002 0.41396 -0.14053 -0.09875 121 7PX -0.00671 0.00000 0.00100 -0.00009 0.00017 122 7PY -0.00599 0.00000 -0.00087 -0.00086 0.00001 123 7PZ 0.00000 0.00044 0.00000 0.00000 0.00000 124 8PX 0.02202 0.00000 -0.00347 0.00033 -0.00061 125 8PY 0.01976 0.00000 0.00291 0.00293 -0.00008 126 8PZ 0.00000 -0.00152 0.00000 0.00000 0.00000 127 9PX -0.03688 0.00000 0.02394 -0.00300 0.00472 128 9PY -0.04328 0.00000 -0.01409 -0.01623 0.00310 129 9PZ 0.00000 0.00983 0.00000 0.00000 0.00000 130 10PX -0.07258 -0.00002 -0.10137 0.02775 -0.01794 131 10PY -0.01360 0.00001 0.03171 0.05147 -0.01948 132 10PZ 0.00000 -0.03916 0.00000 0.00000 0.00001 133 11XX 0.00227 0.00000 0.00217 0.00151 -0.00901 134 11YY 0.00987 0.00000 0.00877 0.00398 -0.00996 135 11ZZ 0.01532 0.00000 0.00631 0.00354 -0.00788 136 11XY -0.00739 0.00000 0.00069 0.00196 -0.00089 137 11XZ 0.00000 -0.00042 0.00000 0.00000 0.00000 138 11YZ 0.00000 -0.00172 0.00000 0.00000 0.00000 139 12XX 0.06078 0.00000 -0.05090 0.03218 0.02346 140 12YY -0.01787 -0.00001 -0.10047 0.01522 0.02965 141 12ZZ -0.10043 0.00000 -0.08117 0.01928 0.01700 142 12XY 0.11920 0.00000 -0.00461 -0.01178 0.00495 143 12XZ 0.00001 0.00559 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.01155 0.00000 0.00000 0.00000 145 8 Br 1S -0.00073 0.00000 -0.00048 0.00008 0.00057 146 2S 0.00887 0.00000 0.00566 -0.00216 -0.00799 147 3S -0.02009 0.00000 -0.01125 0.00587 0.01810 148 4S -0.00300 0.00000 -0.01161 0.00051 0.00999 149 5S -0.16137 0.00000 -0.15312 -0.05242 0.02760 150 6S 0.24383 0.00000 0.41397 0.14034 -0.09861 151 7PX 0.00671 0.00000 -0.00100 -0.00009 -0.00017 152 7PY 0.00600 0.00000 0.00087 -0.00086 -0.00001 153 7PZ 0.00000 0.00044 0.00000 0.00000 0.00000 154 8PX -0.02202 0.00000 0.00347 0.00033 0.00062 155 8PY -0.01977 0.00000 -0.00290 0.00293 0.00008 156 8PZ 0.00000 -0.00152 0.00000 0.00000 0.00000 157 9PX 0.03689 0.00000 -0.02394 -0.00298 -0.00473 158 9PY 0.04330 0.00000 0.01409 -0.01623 -0.00310 159 9PZ 0.00000 0.00983 0.00000 0.00000 0.00000 160 10PX 0.07258 -0.00001 0.10138 0.02770 0.01796 161 10PY 0.01362 0.00000 -0.03169 0.05148 0.01948 162 10PZ 0.00000 -0.03916 0.00001 0.00000 -0.00001 163 11XX 0.00227 0.00000 0.00217 -0.00151 -0.00901 164 11YY 0.00987 0.00000 0.00877 -0.00399 -0.00996 165 11ZZ 0.01532 0.00000 0.00631 -0.00355 -0.00788 166 11XY -0.00739 0.00000 0.00069 -0.00196 -0.00089 167 11XZ 0.00000 0.00042 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00172 0.00000 0.00000 0.00000 169 12XX 0.06078 0.00000 -0.05090 -0.03215 0.02343 170 12YY -0.01783 0.00000 -0.10047 -0.01517 0.02962 171 12ZZ -0.10044 0.00000 -0.08117 -0.01923 0.01697 172 12XY 0.11925 0.00000 -0.00460 0.01178 0.00495 173 12XZ 0.00001 -0.00559 0.00000 0.00000 0.00000 174 12YZ 0.00000 -0.01155 0.00000 0.00000 0.00000 171 172 173 174 V V V V Eigenvalues -- 8.73601 8.79114 75.73888 76.80118 1 1 Al 1S 0.00079 0.00138 -0.00091 0.00175 2 2S -0.00184 -0.00601 0.00195 -0.00731 3 2PX -0.00457 -0.00110 0.00300 0.00190 4 2PY -0.00157 -0.00340 -0.00040 -0.00225 5 2PZ 0.00000 0.00000 0.00000 0.00000 6 3S 0.04985 0.05853 -0.08513 0.10009 7 3PX 0.00925 -0.02282 -0.01148 -0.03461 8 3PY -0.00228 0.00783 0.00432 0.01222 9 3PZ 0.00000 0.00000 0.00000 0.00000 10 4S -0.46987 -0.39832 0.67831 -0.59562 11 4PX -0.10971 -0.23490 0.17721 -0.35474 12 4PY -0.18377 -0.38889 0.26952 -0.57449 13 4PZ -0.00001 -0.00001 0.00002 -0.00002 14 5XX -0.00261 -0.00208 0.01179 -0.01057 15 5YY -0.00182 -0.00655 0.00871 -0.01435 16 5ZZ -0.01195 -0.01679 0.01971 -0.02562 17 5XY 0.02175 0.01474 -0.02526 0.01555 18 5XZ 0.00000 0.00000 0.00000 0.00000 19 5YZ 0.00000 0.00000 0.00000 0.00000 20 2 Al 1S -0.00079 0.00138 0.00091 0.00175 21 2S 0.00184 -0.00601 -0.00195 -0.00731 22 2PX -0.00457 0.00110 0.00300 -0.00190 23 2PY -0.00158 0.00340 -0.00040 0.00225 24 2PZ 0.00000 0.00000 0.00000 0.00000 25 3S -0.04986 0.05855 0.08514 0.10013 26 3PX 0.00924 0.02282 -0.01146 0.03461 27 3PY -0.00227 -0.00782 0.00431 -0.01221 28 3PZ 0.00000 0.00000 0.00000 0.00000 29 4S 0.46989 -0.39840 -0.67837 -0.59572 30 4PX -0.10965 0.23484 0.17713 0.35464 31 4PY -0.18375 0.38896 0.26953 0.57459 32 4PZ -0.00001 0.00001 0.00002 0.00002 33 5XX 0.00261 -0.00209 -0.01179 -0.01059 34 5YY 0.00181 -0.00655 -0.00871 -0.01434 35 5ZZ 0.01195 -0.01679 -0.01971 -0.02561 36 5XY -0.02175 0.01474 0.02526 0.01555 37 5XZ 0.00000 0.00000 0.00000 0.00000 38 5YZ 0.00000 0.00000 0.00000 0.00000 39 3 Cl 1S 0.00000 -0.00038 0.00000 -0.00070 40 2S 0.00000 -0.00610 0.00000 -0.00754 41 2PX 0.00247 0.00000 -0.00358 0.00000 42 2PY 0.00133 0.00000 -0.00198 0.00000 43 2PZ 0.00000 -0.00335 0.00000 -0.00441 44 3S 0.00000 -0.01975 0.00000 -0.03286 45 3PX -0.01444 0.00000 0.02048 0.00000 46 3PY -0.00679 0.00000 0.01018 0.00000 47 3PZ 0.00000 0.01582 0.00000 0.02168 48 4S -0.00002 0.15318 0.00003 0.21626 49 4PX 0.10770 0.00000 -0.15089 0.00000 50 4PY 0.02766 0.00000 -0.04293 0.00000 51 4PZ 0.00000 0.00185 0.00000 0.00074 52 5XX 0.00000 0.00080 0.00000 0.00255 53 5YY 0.00000 -0.01513 0.00000 -0.01713 54 5ZZ 0.00000 -0.00721 0.00000 -0.00742 55 5XY 0.00000 0.00488 0.00000 0.00625 56 5XZ 0.00736 0.00000 -0.00860 0.00000 57 5YZ 0.00233 0.00000 -0.00294 0.00000 58 4 Cl 1S 0.00000 -0.00038 0.00000 -0.00070 59 2S 0.00000 -0.00610 0.00000 -0.00754 60 2PX 0.00247 0.00000 -0.00358 0.00000 61 2PY 0.00133 0.00000 -0.00198 0.00000 62 2PZ 0.00000 0.00335 0.00000 0.00441 63 3S 0.00000 -0.01975 0.00000 -0.03286 64 3PX -0.01444 0.00000 0.02049 0.00000 65 3PY -0.00679 0.00000 0.01018 0.00001 66 3PZ 0.00000 -0.01582 0.00000 -0.02168 67 4S -0.00002 0.15318 0.00003 0.21626 68 4PX 0.10770 0.00000 -0.15089 0.00000 69 4PY 0.02767 -0.00002 -0.04293 -0.00003 70 4PZ 0.00000 -0.00186 0.00000 -0.00074 71 5XX 0.00000 0.00080 0.00000 0.00255 72 5YY 0.00000 -0.01513 0.00000 -0.01713 73 5ZZ 0.00000 -0.00721 0.00000 -0.00742 74 5XY 0.00000 0.00488 0.00000 0.00625 75 5XZ -0.00736 0.00000 0.00861 0.00000 76 5YZ -0.00233 0.00000 0.00294 0.00000 77 5 Cl 1S -0.00014 -0.00024 0.00011 0.00032 78 2S -0.00069 0.00750 0.00115 0.00757 79 2PX 0.00343 0.00142 -0.00490 0.00218 80 2PY 0.00001 0.00012 -0.00010 0.00036 81 2PZ 0.00000 0.00000 0.00000 0.00000 82 3S -0.00862 -0.01143 0.00900 0.00658 83 3PX -0.01774 -0.00864 0.02574 -0.01304 84 3PY -0.00090 -0.00114 0.00143 -0.00232 85 3PZ 0.00000 0.00000 0.00000 0.00000 86 4S 0.03073 -0.10866 -0.04046 -0.15662 87 4PX 0.05283 0.04997 -0.07858 0.07410 88 4PY 0.03132 0.01747 -0.04387 0.02601 89 4PZ 0.00000 0.00001 -0.00001 0.00001 90 5XX -0.00272 0.01805 0.00387 0.01585 91 5YY 0.00519 0.02602 -0.00593 0.02595 92 5ZZ 0.00347 0.01896 -0.00371 0.01686 93 5XY 0.00434 0.00541 -0.00511 0.00648 94 5XZ 0.00000 0.00000 0.00000 0.00000 95 5YZ 0.00000 0.00000 0.00000 0.00000 96 6 Cl 1S 0.00014 -0.00024 -0.00011 0.00032 97 2S 0.00070 0.00751 -0.00115 0.00757 98 2PX 0.00343 -0.00142 -0.00490 -0.00218 99 2PY 0.00001 -0.00012 -0.00010 -0.00036 100 2PZ 0.00000 0.00000 0.00000 0.00000 101 3S 0.00862 -0.01143 -0.00901 0.00659 102 3PX -0.01773 0.00864 0.02573 0.01305 103 3PY -0.00090 0.00115 0.00143 0.00232 104 3PZ 0.00000 0.00000 0.00000 0.00000 105 4S -0.03077 -0.10869 0.04053 -0.15666 106 4PX 0.05280 -0.04998 -0.07854 -0.07412 107 4PY 0.03133 -0.01747 -0.04390 -0.02601 108 4PZ 0.00000 -0.00001 -0.00001 -0.00001 109 5XX 0.00273 0.01806 -0.00388 0.01585 110 5YY -0.00518 0.02603 0.00593 0.02595 111 5ZZ -0.00346 0.01897 0.00370 0.01687 112 5XY -0.00434 0.00541 0.00510 0.00648 113 5XZ 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00000 115 7 Br 1S 0.08196 0.08250 0.67268 -0.67704 116 2S -1.29631 -1.29638 2.40658 -2.43675 117 3S 3.96707 3.97466 -7.38674 7.48720 118 4S -1.49375 -1.53023 -14.09893 14.16395 119 5S 1.34691 1.20938 -5.54612 5.40918 120 6S 3.17440 3.58994 -5.17809 5.82148 121 7PX 0.00367 0.00414 -0.00467 0.00530 122 7PY 0.00218 0.00257 -0.00279 0.00330 123 7PZ 0.00000 0.00000 0.00000 0.00000 124 8PX -0.01238 -0.01397 0.01642 -0.01868 125 8PY -0.00735 -0.00865 0.00980 -0.01163 126 8PZ 0.00000 0.00000 0.00000 0.00000 127 9PX 0.06069 0.07087 -0.08424 0.09890 128 9PY 0.03581 0.04291 -0.05025 0.06048 129 9PZ 0.00000 0.00000 0.00000 0.00000 130 10PX -0.15899 -0.20194 0.23153 -0.29465 131 10PY -0.09348 -0.11765 0.13902 -0.17440 132 10PZ 0.00000 0.00000 0.00000 -0.00001 133 11XX -1.39577 -1.38965 10.90533 -11.00065 134 11YY -1.39454 -1.38731 10.90365 -10.99754 135 11ZZ -1.39422 -1.38818 10.90308 -10.99861 136 11XY -0.00057 -0.00137 0.00090 -0.00197 137 11XZ 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 139 12XX -1.34133 -1.42450 2.49971 -2.64283 140 12YY -1.35013 -1.44109 2.51221 -2.66572 141 12ZZ -1.35124 -1.43551 2.51517 -2.65912 142 12XY 0.00310 0.00912 -0.00584 0.01401 143 12XZ 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S -0.08195 0.08251 -0.67268 -0.67704 146 2S 1.29628 -1.29641 -2.40661 -2.43673 147 3S -3.96697 3.97476 7.38681 7.48713 148 4S 1.49372 -1.53027 14.09905 14.16382 149 5S -1.34688 1.20940 5.54617 5.40911 150 6S -3.17431 3.59005 5.17812 5.82149 151 7PX 0.00367 -0.00414 -0.00467 -0.00530 152 7PY 0.00218 -0.00257 -0.00279 -0.00330 153 7PZ 0.00000 0.00000 0.00000 0.00000 154 8PX -0.01238 0.01397 0.01642 0.01868 155 8PY -0.00735 0.00865 0.00980 0.01163 156 8PZ 0.00000 0.00000 0.00000 0.00000 157 9PX 0.06069 -0.07087 -0.08424 -0.09889 158 9PY 0.03581 -0.04292 -0.05026 -0.06049 159 9PZ 0.00000 0.00000 0.00000 0.00000 160 10PX -0.15899 0.20193 0.23153 0.29463 161 10PY -0.09349 0.11768 0.13904 0.17443 162 10PZ 0.00000 0.00000 0.00000 0.00001 163 11XX 1.39573 -1.38968 -10.90542 -11.00055 164 11YY 1.39451 -1.38735 -10.90375 -10.99745 165 11ZZ 1.39418 -1.38821 -10.90318 -10.99852 166 11XY 0.00057 -0.00137 -0.00090 -0.00197 167 11XZ 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 169 12XX 1.34130 -1.42453 -2.49973 -2.64281 170 12YY 1.35010 -1.44112 -2.51223 -2.66570 171 12ZZ 1.35121 -1.43554 -2.51519 -2.65910 172 12XY -0.00310 0.00912 0.00584 0.01402 173 12XZ 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 Density Matrix: 1 2 3 4 5 1 1 Al 1S 2.12840 2 2S -0.53037 2.18957 3 2PX -0.00153 0.00640 2.00062 4 2PY 0.00059 -0.00201 0.00382 2.00842 5 2PZ 0.00000 0.00000 0.00000 0.00000 1.99289 6 3S -0.03992 -0.09271 -0.02638 0.01100 0.00000 7 3PX 0.00274 -0.00978 -0.01022 -0.00938 0.00000 8 3PY -0.00156 0.00532 -0.00907 -0.02974 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.00836 10 4S 0.00940 -0.01578 0.00270 -0.00777 0.00000 11 4PX 0.00021 -0.00039 -0.01970 0.00386 0.00000 12 4PY 0.00065 -0.00320 0.00215 -0.00964 0.00000 13 4PZ 0.00000 0.00000 0.00000 0.00000 -0.01783 14 5XX 0.02598 -0.02859 0.00214 -0.00961 0.00000 15 5YY 0.02801 -0.03793 0.00079 0.00990 0.00000 16 5ZZ 0.02457 -0.02059 0.00985 -0.00504 0.00000 17 5XY 0.00064 -0.00347 -0.00600 -0.00626 0.00000 18 5XZ 0.00000 0.00000 0.00000 0.00000 0.00466 19 5YZ 0.00000 0.00000 0.00000 0.00000 -0.00094 20 2 Al 1S -0.00004 0.00008 0.00022 -0.00010 0.00000 21 2S 0.00008 -0.00030 -0.00104 0.00048 0.00000 22 2PX -0.00022 0.00104 -0.00435 0.00197 0.00000 23 2PY 0.00010 -0.00048 0.00197 -0.00006 0.00000 24 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00365 25 3S -0.00114 0.00373 -0.00017 -0.00016 0.00000 26 3PX -0.00046 0.00224 0.00858 -0.00395 0.00000 27 3PY 0.00011 -0.00062 -0.00404 -0.00022 0.00000 28 3PZ 0.00000 0.00000 0.00000 0.00000 0.01052 29 4S -0.00053 0.00148 -0.01087 0.00497 0.00000 30 4PX -0.00115 0.00259 -0.00285 0.00162 0.00000 31 4PY -0.00008 0.00067 0.00214 -0.00056 0.00000 32 4PZ 0.00000 0.00000 0.00000 0.00000 0.00008 33 5XX 0.00101 -0.00412 0.00687 -0.00383 0.00000 34 5YY 0.00026 -0.00139 0.00048 0.00118 0.00000 35 5ZZ -0.00174 0.00759 -0.00635 0.00247 0.00000 36 5XY -0.00039 0.00143 -0.00461 0.00035 0.00000 37 5XZ 0.00000 0.00000 0.00000 0.00000 0.00283 38 5YZ 0.00000 0.00000 0.00000 0.00000 -0.00112 39 3 Cl 1S 0.00012 -0.00064 0.00183 -0.00068 0.00244 40 2S -0.00087 0.00389 -0.00835 0.00308 -0.01116 41 2PX -0.00498 0.02313 -0.01702 0.00987 -0.02432 42 2PY 0.00202 -0.00938 0.00981 0.00403 0.00965 43 2PZ -0.00447 0.02141 -0.02248 0.00892 -0.01816 44 3S -0.00011 0.00102 0.01457 -0.00525 0.01970 45 3PX 0.01253 -0.05953 0.04394 -0.02522 0.06214 46 3PY -0.00510 0.02410 -0.02507 -0.00985 -0.02468 47 3PZ 0.01117 -0.05219 0.05690 -0.02256 0.04662 48 4S 0.00318 -0.00501 0.00551 -0.00120 0.00993 49 4PX 0.00589 -0.02401 0.01986 -0.01116 0.02872 50 4PY -0.00237 0.00990 -0.01140 -0.00561 -0.01126 51 4PZ 0.00669 -0.02451 0.02760 -0.01081 0.02644 52 5XX -0.00027 -0.00009 -0.00210 -0.00054 0.00118 53 5YY -0.00086 0.00289 -0.00119 0.00175 -0.00102 54 5ZZ 0.00034 -0.00293 0.00438 -0.00170 0.00082 55 5XY -0.00028 0.00141 -0.00061 -0.00130 -0.00118 56 5XZ 0.00123 -0.00632 0.00205 -0.00183 0.00348 57 5YZ -0.00047 0.00242 -0.00180 -0.00168 -0.00138 58 4 Cl 1S 0.00012 -0.00064 0.00183 -0.00068 -0.00244 59 2S -0.00087 0.00389 -0.00835 0.00308 0.01116 60 2PX -0.00498 0.02312 -0.01702 0.00987 0.02431 61 2PY 0.00202 -0.00938 0.00981 0.00403 -0.00965 62 2PZ 0.00447 -0.02141 0.02248 -0.00892 -0.01816 63 3S -0.00011 0.00103 0.01456 -0.00524 -0.01970 64 3PX 0.01253 -0.05951 0.04393 -0.02522 -0.06213 65 3PY -0.00510 0.02409 -0.02506 -0.00985 0.02468 66 3PZ -0.01117 0.05218 -0.05689 0.02256 0.04662 67 4S 0.00318 -0.00501 0.00551 -0.00120 -0.00993 68 4PX 0.00589 -0.02401 0.01986 -0.01116 -0.02871 69 4PY -0.00237 0.00990 -0.01140 -0.00560 0.01126 70 4PZ -0.00669 0.02450 -0.02760 0.01081 0.02644 71 5XX -0.00027 -0.00009 -0.00210 -0.00054 -0.00117 72 5YY -0.00085 0.00289 -0.00119 0.00175 0.00102 73 5ZZ 0.00034 -0.00293 0.00438 -0.00170 -0.00082 74 5XY -0.00028 0.00141 -0.00061 -0.00130 0.00118 75 5XZ -0.00123 0.00632 -0.00205 0.00183 0.00348 76 5YZ 0.00047 -0.00242 0.00180 0.00168 -0.00138 77 5 Cl 1S 0.00047 -0.00229 -0.00043 0.00485 0.00000 78 2S -0.00217 0.01046 0.00195 -0.02149 0.00000 79 2PX 0.00126 -0.00690 0.01709 0.00678 0.00000 80 2PY -0.01138 0.05344 0.00563 -0.05393 0.00000 81 2PZ 0.00000 0.00000 0.00000 0.00000 0.02042 82 3S 0.00338 -0.01503 -0.00374 0.04372 0.00000 83 3PX -0.00309 0.01855 -0.04351 -0.01713 0.00000 84 3PY 0.02845 -0.13250 -0.01430 0.13663 -0.00001 85 3PZ 0.00000 0.00000 0.00000 -0.00001 -0.05200 86 4S 0.00058 0.00554 -0.00021 0.00432 0.00000 87 4PX -0.00137 0.00773 -0.02033 -0.00850 0.00000 88 4PY 0.01282 -0.05022 -0.00689 0.05939 0.00000 89 4PZ 0.00000 0.00000 0.00000 0.00000 -0.02633 90 5XX -0.00101 0.00390 0.00078 -0.00261 0.00000 91 5YY 0.00142 -0.00971 -0.00138 0.00522 0.00000 92 5ZZ -0.00107 0.00419 0.00042 -0.00269 0.00000 93 5XY -0.00027 0.00164 -0.00310 -0.00157 0.00000 94 5XZ 0.00000 0.00000 0.00000 0.00000 0.00051 95 5YZ 0.00000 0.00000 0.00000 0.00000 -0.00308 96 6 Cl 1S 0.00002 -0.00019 0.00016 0.00003 0.00000 97 2S -0.00006 0.00077 -0.00062 -0.00021 0.00000 98 2PX 0.00015 -0.00045 0.00085 -0.00114 0.00000 99 2PY 0.00022 -0.00151 0.00008 0.00067 0.00000 100 2PZ 0.00000 0.00000 0.00000 0.00000 0.00269 101 3S 0.00029 -0.00155 0.00156 0.00030 0.00000 102 3PX -0.00032 0.00195 -0.00215 0.00295 0.00000 103 3PY -0.00062 0.00394 -0.00031 -0.00170 0.00000 104 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00695 105 4S -0.00027 -0.00023 0.00169 0.00002 0.00000 106 4PX -0.00011 0.00066 -0.00210 0.00244 0.00000 107 4PY -0.00006 0.00145 -0.00095 -0.00109 0.00000 108 4PZ 0.00000 0.00000 0.00000 0.00000 -0.00399 109 5XX 0.00008 -0.00009 0.00022 -0.00019 0.00000 110 5YY 0.00007 -0.00015 0.00005 0.00004 0.00000 111 5ZZ 0.00007 0.00007 -0.00002 -0.00009 0.00000 112 5XY 0.00001 -0.00012 0.00008 -0.00005 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00010 114 5YZ 0.00000 0.00000 0.00000 0.00000 -0.00013 115 7 Br 1S -0.00016 0.00117 0.00198 0.00157 0.00000 116 2S 0.00146 -0.00798 -0.01317 -0.01042 0.00000 117 3S -0.00216 0.00983 0.01564 0.01232 0.00000 118 4S -0.00313 0.01554 0.02741 0.02194 0.00000 119 5S 0.00150 -0.01460 -0.03058 -0.02381 0.00000 120 6S -0.00060 0.01528 0.01073 0.00630 0.00000 121 7PX -0.00350 0.01681 0.01020 0.01400 0.00000 122 7PY -0.00271 0.01346 0.01349 0.00472 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 -0.00771 124 8PX 0.01100 -0.05356 -0.03000 -0.04202 0.00000 125 8PY 0.00871 -0.04025 -0.04034 -0.01345 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.02365 127 9PX -0.01956 0.09592 0.05454 0.07631 0.00000 128 9PY -0.01550 0.07075 0.07349 0.02470 0.00000 129 9PZ 0.00000 0.00000 0.00000 0.00000 -0.04282 130 10PX -0.01485 0.06523 0.03812 0.05484 0.00000 131 10PY -0.01194 0.04810 0.05248 0.01456 0.00000 132 10PZ 0.00000 0.00000 0.00000 0.00000 -0.03468 133 11XX 0.00084 -0.00250 -0.00750 -0.00467 0.00000 134 11YY 0.00115 -0.00451 -0.00658 -0.00646 0.00000 135 11ZZ 0.00180 -0.00663 -0.00730 -0.00570 0.00000 136 11XY -0.00090 0.00361 0.00040 -0.00001 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 -0.00083 138 11YZ 0.00000 0.00000 0.00000 0.00000 -0.00059 139 12XX 0.00189 -0.01107 -0.00653 -0.00949 0.00000 140 12YY 0.00107 -0.00669 -0.00899 -0.00126 0.00000 141 12ZZ -0.00046 0.00057 -0.00351 -0.00257 0.00000 142 12XY 0.00221 -0.01076 -0.00539 -0.00229 0.00000 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00401 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00302 145 8 Br 1S 0.00003 -0.00010 0.00009 -0.00001 0.00000 146 2S 0.00007 0.00020 -0.00020 -0.00012 0.00000 147 3S -0.00038 0.00044 -0.00033 0.00038 0.00000 148 4S -0.00021 0.00018 -0.00002 0.00060 0.00000 149 5S 0.00101 -0.00310 0.00086 -0.00025 0.00000 150 6S -0.00309 0.00581 0.00058 -0.00234 0.00000 151 7PX 0.00003 -0.00086 -0.00036 -0.00022 0.00000 152 7PY 0.00013 -0.00037 0.00033 -0.00007 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 -0.00118 154 8PX -0.00011 0.00119 0.00149 0.00063 0.00000 155 8PY -0.00034 0.00194 -0.00095 0.00023 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00350 157 9PX 0.00032 -0.00180 -0.00241 -0.00115 0.00000 158 9PY 0.00066 -0.00397 0.00173 -0.00040 0.00000 159 9PZ 0.00000 0.00000 0.00000 0.00000 -0.00643 160 10PX -0.00020 -0.00064 -0.00251 -0.00179 0.00000 161 10PY 0.00017 -0.00223 0.00273 -0.00086 0.00000 162 10PZ 0.00000 0.00000 0.00000 0.00000 -0.00568 163 11XX 0.00033 -0.00038 0.00023 -0.00015 0.00000 164 11YY 0.00032 0.00012 0.00008 -0.00013 0.00000 165 11ZZ 0.00031 -0.00030 0.00014 -0.00019 0.00000 166 11XY 0.00000 -0.00005 0.00013 0.00003 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 -0.00014 168 11YZ 0.00000 0.00000 0.00000 0.00000 -0.00003 169 12XX 0.00075 -0.00144 0.00049 -0.00011 0.00000 170 12YY 0.00076 -0.00148 0.00104 0.00012 0.00000 171 12ZZ 0.00081 -0.00132 0.00059 0.00025 0.00000 172 12XY -0.00003 0.00001 -0.00006 -0.00016 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00009 174 12YZ 0.00000 0.00000 0.00000 0.00000 -0.00019 6 7 8 9 10 6 3S 0.61154 7 3PX 0.03578 0.19531 8 3PY -0.02573 0.02362 0.24758 9 3PZ 0.00000 0.00001 -0.00001 0.13324 10 4S -0.02140 -0.00960 0.01488 0.00000 0.03776 11 4PX 0.01478 0.01747 -0.00584 0.00000 -0.02823 12 4PY 0.00058 -0.00338 -0.00425 0.00000 0.01806 13 4PZ 0.00000 0.00000 0.00000 0.01381 0.00000 14 5XX -0.01609 -0.00293 0.02929 0.00000 -0.00547 15 5YY 0.00566 0.01164 -0.03511 0.00000 0.00784 16 5ZZ -0.04377 -0.02319 0.01287 0.00000 0.00050 17 5XY 0.00656 0.02690 0.01756 0.00000 0.01051 18 5XZ 0.00001 0.00000 0.00000 -0.02213 0.00000 19 5YZ 0.00000 0.00000 0.00000 0.00725 0.00000 20 2 Al 1S -0.00114 0.00046 -0.00011 0.00000 -0.00053 21 2S 0.00373 -0.00224 0.00062 0.00000 0.00148 22 2PX 0.00017 0.00858 -0.00404 0.00000 0.01087 23 2PY 0.00016 -0.00395 -0.00022 0.00000 -0.00497 24 2PZ 0.00000 0.00000 0.00000 0.01052 0.00000 25 3S -0.01688 -0.00179 0.00085 0.00000 0.01725 26 3PX 0.00179 -0.02578 0.01098 0.00000 -0.02775 27 3PY -0.00085 0.01098 -0.00186 0.00000 0.01062 28 3PZ 0.00000 0.00000 0.00000 -0.02638 0.00000 29 4S 0.01725 0.02775 -0.01062 0.00000 -0.02569 30 4PX 0.00770 0.00973 0.00051 0.00000 -0.02319 31 4PY -0.00598 -0.00319 0.01072 0.00000 0.00932 32 4PZ 0.00000 0.00000 0.00000 -0.00267 0.00000 33 5XX 0.01008 -0.01589 0.00918 0.00000 0.00107 34 5YY 0.00372 -0.00073 -0.00292 0.00000 -0.00306 35 5ZZ -0.01557 0.01395 -0.00520 0.00000 -0.00169 36 5XY -0.00348 0.01113 -0.00065 0.00000 -0.00183 37 5XZ 0.00000 0.00000 0.00000 -0.00705 0.00000 38 5YZ 0.00000 0.00000 0.00000 0.00284 0.00000 39 3 Cl 1S -0.00170 -0.00242 0.00083 -0.00371 -0.00505 40 2S 0.00542 0.01042 -0.00351 0.01648 0.01960 41 2PX -0.05567 0.04401 -0.02544 0.05939 0.03150 42 2PY 0.02296 -0.02606 -0.01171 -0.02354 -0.01238 43 2PZ -0.04549 0.05831 -0.02258 0.04226 0.00514 44 3S -0.02748 -0.02209 0.00754 -0.03082 -0.01961 45 3PX 0.13490 -0.11063 0.06465 -0.15284 -0.00377 46 3PY -0.05558 0.06596 0.03036 0.06064 0.00313 47 3PZ 0.12784 -0.14927 0.05791 -0.11059 -0.01651 48 4S -0.01586 0.01271 -0.00646 -0.00173 -0.01176 49 4PX 0.05092 -0.04554 0.02439 -0.05722 -0.00980 50 4PY -0.02155 0.02523 0.01014 0.02244 0.00368 51 4PZ 0.04762 -0.05547 0.02116 -0.04952 -0.00731 52 5XX 0.00160 0.00398 0.00112 -0.00184 0.00032 53 5YY -0.00510 0.00207 -0.00326 0.00179 0.00066 54 5ZZ 0.00800 -0.01040 0.00394 -0.00234 -0.00115 55 5XY -0.00328 0.00113 0.00258 0.00197 0.00031 56 5XZ 0.01504 -0.00518 0.00396 -0.00787 0.00034 57 5YZ -0.00586 0.00408 0.00324 0.00314 0.00003 58 4 Cl 1S -0.00170 -0.00242 0.00082 0.00371 -0.00505 59 2S 0.00543 0.01041 -0.00351 -0.01647 0.01960 60 2PX -0.05566 0.04400 -0.02543 -0.05939 0.03150 61 2PY 0.02296 -0.02606 -0.01171 0.02354 -0.01238 62 2PZ 0.04548 -0.05830 0.02258 0.04226 -0.00514 63 3S -0.02748 -0.02209 0.00754 0.03081 -0.01960 64 3PX 0.13486 -0.11062 0.06464 0.15282 -0.00376 65 3PY -0.05557 0.06595 0.03035 -0.06063 0.00313 66 3PZ -0.12781 0.14925 -0.05790 -0.11059 0.01651 67 4S -0.01585 0.01270 -0.00645 0.00173 -0.01175 68 4PX 0.05091 -0.04554 0.02439 0.05721 -0.00979 69 4PY -0.02155 0.02523 0.01014 -0.02244 0.00368 70 4PZ -0.04761 0.05547 -0.02116 -0.04953 0.00731 71 5XX 0.00160 0.00398 0.00112 0.00184 0.00032 72 5YY -0.00510 0.00207 -0.00326 -0.00179 0.00066 73 5ZZ 0.00800 -0.01040 0.00394 0.00234 -0.00115 74 5XY -0.00328 0.00113 0.00258 -0.00197 0.00031 75 5XZ -0.01504 0.00518 -0.00396 -0.00787 -0.00034 76 5YZ 0.00586 -0.00408 -0.00324 0.00314 -0.00003 77 5 Cl 1S 0.00137 0.00051 -0.00780 0.00000 -0.00882 78 2S -0.00527 -0.00248 0.03332 0.00000 0.03376 79 2PX 0.00987 -0.04394 -0.01904 0.00000 0.01834 80 2PY -0.13928 -0.01214 0.14516 -0.00001 0.00927 81 2PZ 0.00000 0.00000 -0.00001 -0.05321 0.00000 82 3S -0.00632 0.00511 -0.06646 0.00000 -0.03075 83 3PX -0.01686 0.11108 0.04934 0.00000 -0.08259 84 3PY 0.37018 0.03108 -0.35840 0.00002 -0.01303 85 3PZ -0.00001 0.00000 0.00002 0.13459 0.00000 86 4S -0.05389 -0.00060 0.03884 0.00000 -0.00813 87 4PX -0.00452 0.04726 0.01862 0.00000 -0.04038 88 4PY 0.12362 0.01257 -0.12371 0.00001 -0.00408 89 4PZ 0.00000 0.00000 0.00001 0.06441 0.00000 90 5XX -0.00897 -0.00180 0.00626 0.00000 0.00083 91 5YY 0.03075 0.00242 -0.01995 0.00000 -0.00219 92 5ZZ -0.00952 -0.00096 0.00656 0.00000 0.00040 93 5XY -0.00320 0.00703 0.00468 0.00000 -0.00284 94 5XZ 0.00000 0.00000 0.00000 -0.00113 0.00000 95 5YZ 0.00000 0.00000 0.00000 0.00692 0.00000 96 6 Cl 1S -0.00008 -0.00052 -0.00010 0.00000 0.00235 97 2S 0.00045 0.00230 0.00063 0.00000 -0.00978 98 2PX 0.00256 -0.00402 0.00433 0.00000 0.00935 99 2PY 0.00084 0.00072 -0.00256 0.00000 0.00755 100 2PZ 0.00000 0.00000 0.00000 -0.00762 0.00000 101 3S 0.00086 -0.00329 -0.00114 0.00000 0.00707 102 3PX -0.00140 0.01148 -0.01157 0.00000 -0.05360 103 3PY -0.00269 -0.00241 0.00741 0.00000 -0.01741 104 3PZ 0.00000 0.00000 0.00000 0.01849 0.00000 105 4S 0.00069 -0.00980 -0.00247 0.00000 -0.00092 106 4PX -0.00159 0.00552 -0.00636 0.00000 -0.02462 107 4PY -0.00173 0.00344 0.00219 0.00000 -0.00574 108 4PZ 0.00000 0.00000 0.00000 0.01222 0.00000 109 5XX 0.00018 -0.00014 0.00044 0.00000 -0.00072 110 5YY -0.00032 0.00055 -0.00028 0.00000 0.00165 111 5ZZ -0.00030 0.00057 0.00006 0.00000 -0.00040 112 5XY 0.00029 -0.00047 0.00019 0.00000 0.00206 113 5XZ 0.00000 0.00000 0.00000 -0.00024 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00016 0.00000 115 7 Br 1S 0.00400 -0.00377 -0.00235 0.00000 -0.03506 116 2S -0.01907 0.02340 0.01553 0.00000 0.16662 117 3S 0.01225 -0.02583 -0.01849 0.00000 -0.11029 118 4S 0.02448 -0.04238 -0.03073 0.00000 -0.16327 119 5S 0.00723 0.05654 0.04589 0.00000 -0.00925 120 6S -0.09118 -0.07287 -0.06008 0.00000 -0.02993 121 7PX -0.03543 -0.02397 -0.03490 0.00000 0.02448 122 7PY -0.02508 -0.03246 -0.01220 0.00000 0.00601 123 7PZ 0.00000 0.00000 0.00000 0.01955 0.00000 124 8PX 0.12789 0.07688 0.10907 0.00001 0.01281 125 8PY 0.11261 0.10018 0.03547 0.00000 -0.03203 126 8PZ 0.00000 0.00000 0.00000 -0.06058 0.00000 127 9PX -0.23211 -0.13876 -0.19646 -0.00001 -0.05839 128 9PY -0.21237 -0.18020 -0.06309 0.00000 0.06365 129 9PZ 0.00000 -0.00001 0.00000 0.10928 0.00000 130 10PX -0.14405 -0.08020 -0.12374 -0.00001 -0.03975 131 10PY -0.13489 -0.11236 -0.02897 0.00000 0.05219 132 10PZ 0.00000 -0.00001 0.00000 0.08491 0.00000 133 11XX -0.01528 0.00977 0.00052 0.00000 0.05935 134 11YY -0.01209 0.00893 0.01163 0.00000 0.07803 135 11ZZ 0.00491 0.01783 0.01298 0.00000 0.06825 136 11XY -0.02037 -0.01023 -0.00669 0.00000 -0.00402 137 11XZ 0.00000 0.00000 0.00000 0.00376 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00310 0.00000 139 12XX 0.02414 0.01838 0.02264 0.00000 0.02597 140 12YY 0.01691 0.02093 0.00849 0.00000 0.01879 141 12ZZ -0.00239 0.01138 0.00915 0.00000 0.02273 142 12XY 0.02666 0.01014 0.00596 0.00000 -0.00155 143 12XZ 0.00000 0.00000 0.00000 -0.00661 0.00000 144 12YZ 0.00000 0.00000 0.00000 -0.00492 0.00000 145 8 Br 1S 0.00026 -0.00104 0.00025 0.00000 0.00265 146 2S -0.00124 0.00477 -0.00097 0.00000 -0.01166 147 3S 0.00072 -0.00283 0.00027 0.00000 0.00625 148 4S 0.00118 -0.00342 -0.00064 0.00000 0.00867 149 5S 0.00199 0.00219 -0.00309 0.00000 0.00906 150 6S -0.00477 -0.01609 0.01917 0.00000 -0.00501 151 7PX -0.00266 0.00167 0.00052 0.00000 0.01401 152 7PY 0.00252 -0.00160 0.00018 0.00000 -0.00197 153 7PZ 0.00000 0.00000 0.00000 0.00376 0.00000 154 8PX 0.00131 -0.00743 -0.00128 0.00000 0.00271 155 8PY -0.00252 0.00381 -0.00077 0.00000 -0.02324 156 8PZ 0.00000 0.00000 0.00000 -0.00987 0.00000 157 9PX 0.00072 0.01453 0.00220 0.00000 -0.02349 158 9PY 0.00247 -0.00668 0.00144 0.00000 0.05399 159 9PZ 0.00000 0.00000 0.00000 0.01726 0.00000 160 10PX -0.00065 0.00702 0.00500 0.00000 -0.01955 161 10PY 0.00271 -0.00914 0.00270 0.00000 0.03900 162 10PZ 0.00000 0.00000 0.00000 0.01703 0.00000 163 11XX -0.00103 0.00168 -0.00037 0.00000 0.00149 164 11YY 0.00079 0.00203 -0.00041 0.00000 -0.01230 165 11ZZ -0.00115 0.00212 -0.00038 0.00000 -0.00217 166 11XY -0.00049 -0.00048 -0.00012 0.00000 0.00197 167 11XZ 0.00000 0.00000 0.00000 0.00041 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00011 0.00000 169 12XX 0.00036 0.00298 -0.00257 0.00000 -0.00162 170 12YY 0.00089 0.00163 -0.00269 0.00000 0.00284 171 12ZZ 0.00021 0.00342 -0.00299 0.00000 -0.00027 172 12XY -0.00053 0.00026 0.00017 0.00000 0.00197 173 12XZ 0.00000 0.00000 0.00000 0.00021 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00069 0.00000 11 12 13 14 15 11 4PX 0.04390 12 4PY -0.01067 0.02400 13 4PZ 0.00000 0.00000 0.02010 14 5XX 0.00735 -0.01171 0.00000 0.01413 15 5YY -0.01169 0.01459 0.00000 -0.01230 0.01904 16 5ZZ 0.00283 -0.00291 0.00000 0.00273 -0.00702 17 5XY -0.01659 -0.00204 0.00000 0.00059 0.00141 18 5XZ 0.00000 0.00000 0.01161 0.00000 0.00000 19 5YZ 0.00000 0.00000 -0.00393 0.00000 0.00000 20 2 Al 1S 0.00115 0.00008 0.00000 0.00101 0.00026 21 2S -0.00259 -0.00067 0.00000 -0.00412 -0.00139 22 2PX -0.00285 0.00214 0.00000 -0.00687 -0.00048 23 2PY 0.00162 -0.00056 0.00000 0.00383 -0.00118 24 2PZ 0.00000 0.00000 0.00008 0.00000 0.00000 25 3S -0.00770 0.00598 0.00000 0.01008 0.00372 26 3PX 0.00973 -0.00319 0.00000 0.01589 0.00073 27 3PY 0.00051 0.01072 0.00000 -0.00918 0.00293 28 3PZ 0.00000 0.00000 -0.00267 0.00000 0.00000 29 4S 0.02319 -0.00932 0.00000 0.00108 -0.00306 30 4PX 0.01783 -0.00738 0.00000 -0.00149 -0.00270 31 4PY -0.00738 0.00600 0.00000 -0.00148 0.00323 32 4PZ 0.00000 0.00000 0.00211 0.00000 0.00000 33 5XX 0.00149 0.00148 0.00000 0.00293 -0.00205 34 5YY 0.00270 -0.00323 0.00000 -0.00205 -0.00299 35 5ZZ -0.00214 0.00051 0.00000 0.00021 0.00412 36 5XY 0.00301 0.00206 0.00000 -0.00554 0.00225 37 5XZ 0.00000 0.00000 -0.00273 0.00000 0.00000 38 5YZ 0.00000 0.00000 0.00097 0.00000 0.00000 39 3 Cl 1S 0.00304 -0.00128 0.00273 0.00035 -0.00130 40 2S -0.01276 0.00531 -0.01093 -0.00127 0.00580 41 2PX -0.02259 0.00528 -0.01034 0.00381 0.01031 42 2PY 0.00385 -0.01283 0.00387 0.00833 -0.01455 43 2PZ -0.00566 0.00271 -0.01304 -0.01570 0.00837 44 3S 0.01823 -0.00669 0.01452 0.00214 -0.01139 45 3PX 0.03045 0.00424 0.01409 -0.01334 -0.02694 46 3PY 0.00753 0.04113 -0.00510 -0.02037 0.03752 47 3PZ 0.01110 -0.00764 0.03993 0.03518 -0.02400 48 4S 0.01656 -0.00712 0.01452 0.00146 -0.00632 49 4PX 0.02019 -0.00141 0.01000 -0.00491 -0.01286 50 4PY 0.00062 0.01981 -0.00412 -0.01097 0.01858 51 4PZ 0.00803 -0.00422 0.01967 0.01540 -0.01066 52 5XX -0.00031 0.00026 -0.00088 -0.00059 0.00042 53 5YY -0.00087 0.00037 -0.00076 -0.00104 0.00092 54 5ZZ 0.00061 -0.00042 0.00154 0.00231 -0.00156 55 5XY -0.00037 0.00019 -0.00009 0.00002 -0.00003 56 5XZ 0.00055 0.00051 0.00028 -0.00096 -0.00116 57 5YZ 0.00054 0.00167 -0.00014 -0.00037 0.00124 58 4 Cl 1S 0.00304 -0.00128 -0.00273 0.00035 -0.00130 59 2S -0.01276 0.00531 0.01093 -0.00127 0.00580 60 2PX -0.02259 0.00528 0.01034 0.00381 0.01031 61 2PY 0.00385 -0.01283 -0.00387 0.00833 -0.01455 62 2PZ 0.00566 -0.00271 -0.01304 0.01570 -0.00837 63 3S 0.01823 -0.00669 -0.01452 0.00214 -0.01138 64 3PX 0.03045 0.00424 -0.01409 -0.01334 -0.02693 65 3PY 0.00753 0.04113 0.00510 -0.02037 0.03751 66 3PZ -0.01109 0.00764 0.03993 -0.03517 0.02400 67 4S 0.01655 -0.00712 -0.01452 0.00146 -0.00632 68 4PX 0.02019 -0.00141 -0.01000 -0.00490 -0.01286 69 4PY 0.00062 0.01981 0.00412 -0.01097 0.01858 70 4PZ -0.00803 0.00422 0.01967 -0.01540 0.01066 71 5XX -0.00031 0.00026 0.00088 -0.00059 0.00042 72 5YY -0.00086 0.00037 0.00076 -0.00104 0.00092 73 5ZZ 0.00061 -0.00042 -0.00154 0.00231 -0.00156 74 5XY -0.00037 0.00019 0.00009 0.00002 -0.00003 75 5XZ -0.00055 -0.00051 0.00028 0.00096 0.00116 76 5YZ -0.00054 -0.00167 -0.00014 0.00037 -0.00124 77 5 Cl 1S 0.00178 0.00558 0.00000 -0.00245 0.00471 78 2S -0.00682 -0.02045 0.00000 0.01043 -0.02059 79 2PX -0.04123 -0.00257 0.00000 -0.00542 0.01036 80 2PY -0.00289 -0.01509 0.00000 0.02577 -0.03954 81 2PZ 0.00000 0.00000 -0.02375 0.00000 0.00000 82 3S 0.00221 0.01914 0.00000 -0.02030 0.03858 83 3PX 0.14971 0.00447 0.00000 0.01412 -0.02471 84 3PY 0.00939 0.04161 0.00000 -0.06781 0.07939 85 3PZ 0.00000 0.00000 0.07940 0.00000 -0.00001 86 4S -0.00064 0.01350 0.00000 -0.00220 0.00963 87 4PX 0.07262 0.00423 0.00000 0.00544 -0.01094 88 4PY 0.00432 0.01794 0.00000 -0.02491 0.02979 89 4PZ 0.00000 0.00000 0.03896 0.00000 0.00000 90 5XX -0.00098 -0.00116 0.00000 0.00156 -0.00194 91 5YY 0.00148 0.00136 0.00000 -0.00341 0.00378 92 5ZZ 0.00000 -0.00081 0.00000 0.00136 -0.00192 93 5XY 0.00510 -0.00055 0.00000 0.00106 -0.00128 94 5XZ 0.00000 0.00000 -0.00002 0.00000 0.00000 95 5YZ 0.00000 0.00000 0.00275 0.00000 0.00000 96 6 Cl 1S -0.00024 0.00203 0.00000 0.00011 -0.00030 97 2S 0.00161 -0.00753 0.00000 -0.00053 0.00134 98 2PX -0.00677 0.00101 0.00000 0.00191 0.00067 99 2PY -0.00031 0.00147 0.00000 -0.00220 -0.00189 100 2PZ 0.00000 0.00000 0.00016 0.00000 0.00000 101 3S -0.00198 0.00520 0.00000 0.00057 -0.00259 102 3PX 0.03319 -0.00764 0.00000 -0.00527 -0.00246 103 3PY 0.00033 -0.00304 0.00000 0.00609 0.00517 104 3PZ 0.00000 0.00000 -0.00200 0.00000 0.00000 105 4S -0.00069 -0.00208 0.00000 0.00346 -0.00334 106 4PX 0.01484 -0.00374 0.00000 -0.00281 -0.00165 107 4PY 0.00030 0.00097 0.00000 0.00127 0.00355 108 4PZ 0.00000 0.00000 -0.00144 0.00000 0.00000 109 5XX 0.00025 0.00002 0.00000 -0.00004 0.00016 110 5YY -0.00031 0.00061 0.00000 -0.00018 -0.00002 111 5ZZ -0.00001 -0.00006 0.00000 -0.00003 0.00024 112 5XY -0.00121 0.00000 0.00000 0.00011 -0.00020 113 5XZ 0.00000 0.00000 -0.00001 0.00000 0.00000 114 5YZ 0.00000 0.00000 -0.00002 0.00000 0.00000 115 7 Br 1S -0.01462 -0.02355 0.00000 -0.00115 -0.00026 116 2S 0.07074 0.11313 0.00000 0.00712 0.00137 117 3S -0.04915 -0.07706 0.00000 -0.00774 -0.00108 118 4S -0.07327 -0.11490 0.00000 -0.01377 -0.00187 119 5S 0.00825 0.00420 0.00000 0.01120 0.00122 120 6S -0.02463 -0.02568 0.00000 0.00631 0.00106 121 7PX 0.00202 0.00873 0.00000 -0.00216 -0.00946 122 7PY 0.00311 0.00868 0.00000 -0.01353 0.00548 123 7PZ 0.00000 0.00000 0.00519 0.00000 0.00000 124 8PX -0.03535 0.01705 0.00000 -0.00738 0.01755 125 8PY 0.02908 -0.04422 0.00000 0.02933 -0.02639 126 8PZ 0.00000 0.00000 -0.04164 0.00000 0.00000 127 9PX 0.07637 -0.04849 0.00000 0.01843 -0.02812 128 9PY -0.06864 0.08768 0.00000 -0.04882 0.05114 129 9PZ 0.00000 0.00000 0.08621 0.00000 0.00000 130 10PX 0.06174 -0.03555 0.00000 0.01652 -0.02418 131 10PY -0.05069 0.07267 0.00000 -0.03906 0.04104 132 10PZ 0.00000 0.00000 0.06943 0.00000 0.00000 133 11XX 0.03683 0.04158 0.00000 0.00503 0.00022 134 11YY 0.02258 0.05347 0.00000 0.00271 0.00167 135 11ZZ 0.02970 0.04628 0.00000 0.00304 -0.00010 136 11XY 0.00096 0.00096 0.00000 0.00069 0.00195 137 11XZ 0.00000 0.00000 0.00312 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00334 0.00000 0.00000 139 12XX 0.00861 0.02141 0.00000 -0.00039 0.00216 140 12YY 0.01747 0.01342 0.00000 0.00317 -0.00194 141 12ZZ 0.01239 0.01730 0.00000 0.00089 0.00016 142 12XY 0.00186 -0.00182 0.00000 0.00130 -0.00114 143 12XZ 0.00000 0.00000 -0.00360 0.00000 0.00000 144 12YZ 0.00000 0.00000 -0.00324 0.00000 0.00000 145 8 Br 1S -0.00495 -0.00845 0.00000 0.00007 -0.00013 146 2S 0.02332 0.04096 0.00000 -0.00046 0.00061 147 3S -0.01500 -0.02836 0.00000 0.00050 -0.00036 148 4S -0.02186 -0.04295 0.00000 0.00108 -0.00053 149 5S -0.00392 0.00111 0.00000 -0.00090 -0.00077 150 6S -0.00189 0.00081 0.00000 -0.00115 0.00158 151 7PX -0.00693 -0.00142 0.00000 -0.00151 -0.00029 152 7PY 0.00141 -0.00151 0.00000 -0.00020 -0.00031 153 7PZ 0.00000 0.00000 0.00065 0.00000 0.00000 154 8PX -0.00359 0.00602 0.00000 0.00578 0.00058 155 8PY 0.00796 -0.00623 0.00000 0.00043 0.00088 156 8PZ 0.00000 0.00000 0.00037 0.00000 0.00000 157 9PX 0.01668 -0.01189 0.00000 -0.01098 -0.00107 158 9PY -0.01956 0.01564 0.00000 -0.00068 -0.00149 159 9PZ 0.00000 0.00000 -0.00166 0.00000 0.00000 160 10PX 0.01252 -0.00845 0.00000 -0.00910 0.00002 161 10PY -0.01390 0.01162 0.00000 0.00096 -0.00162 162 10PZ 0.00000 0.00000 -0.00173 0.00000 0.00000 163 11XX 0.00692 0.01847 0.00000 -0.00028 0.00016 164 11YY 0.01398 0.01640 0.00000 -0.00017 0.00018 165 11ZZ 0.00774 0.01671 0.00000 -0.00021 0.00038 166 11XY -0.00156 -0.00012 0.00000 0.00026 0.00006 167 11XZ 0.00000 0.00000 -0.00013 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00063 0.00000 0.00000 169 12XX 0.00349 0.00429 0.00000 0.00007 -0.00014 170 12YY 0.00189 0.00601 0.00000 0.00036 -0.00033 171 12ZZ 0.00270 0.00498 0.00000 0.00012 -0.00003 172 12XY -0.00056 0.00071 0.00000 -0.00003 0.00015 173 12XZ 0.00000 0.00000 0.00004 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00001 0.00000 0.00000 16 17 18 19 20 16 5ZZ 0.01159 17 5XY -0.00409 0.01847 18 5XZ 0.00000 0.00000 0.01513 19 5YZ 0.00000 0.00000 -0.00221 0.01162 20 2 Al 1S -0.00174 -0.00039 0.00000 0.00000 2.12840 21 2S 0.00759 0.00143 0.00000 0.00000 -0.53037 22 2PX 0.00635 0.00461 0.00000 0.00000 0.00153 23 2PY -0.00247 -0.00035 0.00000 0.00000 -0.00059 24 2PZ 0.00000 0.00000 -0.00283 0.00112 0.00000 25 3S -0.01557 -0.00348 0.00000 0.00000 -0.03992 26 3PX -0.01395 -0.01113 0.00000 0.00000 -0.00274 27 3PY 0.00520 0.00065 0.00000 0.00000 0.00156 28 3PZ 0.00000 0.00000 0.00705 -0.00284 0.00000 29 4S -0.00169 -0.00183 0.00000 0.00000 0.00940 30 4PX 0.00214 -0.00301 0.00000 0.00000 -0.00021 31 4PY -0.00051 -0.00206 0.00000 0.00000 -0.00065 32 4PZ 0.00000 0.00000 0.00273 -0.00097 0.00000 33 5XX 0.00021 -0.00554 0.00000 0.00000 0.02598 34 5YY 0.00412 0.00225 0.00000 0.00000 0.02801 35 5ZZ -0.00386 0.00230 0.00000 0.00000 0.02457 36 5XY 0.00230 0.00118 0.00000 0.00000 0.00064 37 5XZ 0.00000 0.00000 0.00009 0.00043 0.00000 38 5YZ 0.00000 0.00000 0.00043 0.00101 0.00000 39 3 Cl 1S 0.00220 -0.00098 0.00281 -0.00115 0.00012 40 2S -0.00925 0.00424 -0.01227 0.00502 -0.00087 41 2PX -0.01686 0.01211 -0.01874 0.01249 0.00498 42 2PY 0.00679 0.00698 0.01241 0.00727 -0.00202 43 2PZ 0.00108 0.01383 -0.02162 0.00872 -0.00447 44 3S 0.01982 -0.00797 0.02344 -0.00962 -0.00011 45 3PX 0.04025 -0.02937 0.04577 -0.03121 -0.01253 46 3PY -0.01637 -0.01903 -0.03092 -0.01915 0.00510 47 3PZ -0.00880 -0.03402 0.05294 -0.02135 0.01117 48 4S 0.00895 -0.00506 0.01362 -0.00559 0.00318 49 4PX 0.01823 -0.01543 0.01974 -0.01540 -0.00589 50 4PY -0.00737 -0.00909 -0.01516 -0.01183 0.00237 51 4PZ -0.00334 -0.01521 0.02506 -0.01021 0.00669 52 5XX -0.00025 0.00090 -0.00040 -0.00024 -0.00027 53 5YY 0.00010 0.00088 -0.00098 0.00082 -0.00086 54 5ZZ -0.00055 -0.00223 0.00159 -0.00064 0.00034 55 5XY 0.00019 0.00031 -0.00065 -0.00025 -0.00028 56 5XZ 0.00157 -0.00077 0.00213 -0.00125 -0.00123 57 5YZ -0.00064 -0.00063 -0.00125 -0.00052 0.00047 58 4 Cl 1S 0.00220 -0.00098 -0.00281 0.00115 0.00012 59 2S -0.00925 0.00424 0.01227 -0.00502 -0.00087 60 2PX -0.01686 0.01211 0.01873 -0.01249 0.00498 61 2PY 0.00679 0.00698 -0.01240 -0.00727 -0.00202 62 2PZ -0.00107 -0.01382 -0.02162 0.00872 0.00447 63 3S 0.01981 -0.00797 -0.02343 0.00962 -0.00011 64 3PX 0.04025 -0.02937 -0.04576 0.03121 -0.01253 65 3PY -0.01637 -0.01903 0.03091 0.01914 0.00510 66 3PZ 0.00879 0.03401 0.05294 -0.02135 -0.01117 67 4S 0.00895 -0.00506 -0.01362 0.00559 0.00318 68 4PX 0.01822 -0.01543 -0.01974 0.01540 -0.00589 69 4PY -0.00737 -0.00909 0.01516 0.01182 0.00237 70 4PZ 0.00334 0.01521 0.02506 -0.01021 -0.00669 71 5XX -0.00025 0.00090 0.00040 0.00024 -0.00027 72 5YY 0.00010 0.00088 0.00098 -0.00082 -0.00086 73 5ZZ -0.00055 -0.00223 -0.00159 0.00064 0.00034 74 5XY 0.00019 0.00031 0.00065 0.00025 -0.00028 75 5XZ -0.00157 0.00077 0.00213 -0.00125 0.00123 76 5YZ 0.00064 0.00063 -0.00125 -0.00052 -0.00047 77 5 Cl 1S -0.00188 -0.00092 0.00000 0.00000 0.00002 78 2S 0.00801 0.00405 0.00000 0.00000 -0.00006 79 2PX -0.00363 0.03154 0.00000 0.00000 -0.00015 80 2PY 0.01890 0.01171 0.00000 0.00000 -0.00022 81 2PZ 0.00000 0.00000 -0.00452 0.03149 0.00000 82 3S -0.01550 -0.00789 0.00000 0.00000 0.00029 83 3PX 0.00821 -0.07948 0.00000 0.00000 0.00032 84 3PY -0.05124 -0.02717 0.00000 -0.00001 0.00062 85 3PZ 0.00001 0.00000 0.01148 -0.07954 0.00000 86 4S 0.00000 -0.00273 0.00000 0.00000 -0.00027 87 4PX 0.00426 -0.04203 0.00000 0.00000 0.00011 88 4PY -0.01799 -0.01207 0.00000 0.00000 0.00006 89 4PZ 0.00000 0.00000 0.00511 -0.04413 0.00000 90 5XX 0.00124 0.00097 0.00000 0.00000 0.00008 91 5YY -0.00336 -0.00130 0.00000 0.00000 0.00007 92 5ZZ 0.00143 0.00032 0.00000 0.00000 0.00007 93 5XY 0.00020 -0.00187 0.00000 0.00000 0.00001 94 5XZ 0.00000 0.00000 0.00039 0.00034 0.00000 95 5YZ 0.00000 0.00000 -0.00014 -0.00233 0.00000 96 6 Cl 1S 0.00016 0.00008 0.00000 0.00000 0.00047 97 2S -0.00069 -0.00043 0.00000 0.00000 -0.00217 98 2PX -0.00116 -0.00156 0.00000 0.00000 -0.00126 99 2PY 0.00302 0.00149 0.00000 0.00000 0.01138 100 2PZ 0.00000 0.00000 0.00176 0.00085 0.00000 101 3S 0.00206 0.00087 0.00000 0.00000 0.00338 102 3PX 0.00414 0.00463 0.00000 0.00000 0.00310 103 3PY -0.00779 -0.00430 0.00000 0.00000 -0.02845 104 3PZ 0.00000 0.00000 -0.00416 -0.00282 0.00000 105 4S 0.00068 0.00095 0.00000 0.00000 0.00058 106 4PX 0.00278 0.00366 0.00000 0.00000 0.00137 107 4PY -0.00383 -0.00179 0.00000 0.00000 -0.01282 108 4PZ 0.00000 0.00000 -0.00329 -0.00127 0.00000 109 5XX -0.00005 -0.00021 0.00000 0.00000 -0.00101 110 5YY 0.00000 0.00008 0.00000 0.00000 0.00142 111 5ZZ -0.00015 -0.00003 0.00000 0.00000 -0.00107 112 5XY 0.00020 0.00008 0.00000 0.00000 -0.00027 113 5XZ 0.00000 0.00000 0.00011 0.00006 0.00000 114 5YZ 0.00000 0.00000 -0.00023 0.00007 0.00000 115 7 Br 1S 0.00018 -0.00091 0.00000 0.00000 0.00003 116 2S -0.00259 0.00787 0.00000 0.00000 0.00007 117 3S 0.00507 -0.01175 0.00000 0.00000 -0.00038 118 4S 0.00923 -0.02206 0.00000 0.00000 -0.00021 119 5S -0.01311 0.02505 0.00000 0.00000 0.00101 120 6S 0.00385 0.00686 0.00000 0.00000 -0.00309 121 7PX 0.00373 -0.01337 0.00000 0.00000 -0.00003 122 7PY 0.00098 -0.00845 0.00000 0.00000 -0.00013 123 7PZ 0.00000 0.00000 0.00891 0.00581 0.00000 124 8PX -0.01732 0.03391 0.00000 0.00000 0.00011 125 8PY -0.01081 0.01919 0.00000 0.00000 0.00034 126 8PZ 0.00000 0.00000 -0.02741 -0.01928 0.00000 127 9PX 0.03257 -0.05819 0.00000 0.00000 -0.00032 128 9PY 0.02155 -0.03163 0.00000 0.00000 -0.00066 129 9PZ 0.00000 0.00000 0.04969 0.03494 0.00000 130 10PX 0.02130 -0.03875 0.00000 0.00000 0.00020 131 10PY 0.01261 -0.02027 0.00000 0.00000 -0.00017 132 10PZ 0.00000 0.00000 0.04194 0.03128 0.00000 133 11XX -0.00099 0.00356 0.00000 0.00000 0.00033 134 11YY -0.00092 0.00518 0.00000 0.00000 0.00032 135 11ZZ -0.00367 0.00535 0.00000 0.00000 0.00031 136 11XY 0.00257 -0.00153 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00074 0.00141 0.00000 138 11YZ 0.00000 0.00000 0.00082 0.00066 0.00000 139 12XX -0.00344 0.00430 0.00000 0.00000 0.00075 140 12YY -0.00276 0.00198 0.00000 0.00000 0.00076 141 12ZZ -0.00077 0.00124 0.00000 0.00000 0.00081 142 12XY -0.00239 0.00257 0.00000 0.00000 -0.00003 143 12XZ 0.00000 0.00000 -0.00176 -0.00211 0.00000 144 12YZ 0.00000 0.00000 -0.00161 -0.00100 0.00000 145 8 Br 1S -0.00028 -0.00016 0.00000 0.00000 -0.00016 146 2S 0.00154 0.00055 0.00000 0.00000 0.00146 147 3S -0.00135 -0.00004 0.00000 0.00000 -0.00216 148 4S -0.00242 0.00040 0.00000 0.00000 -0.00313 149 5S 0.00143 0.00053 0.00000 0.00000 0.00150 150 6S 0.00134 -0.00811 0.00000 0.00000 -0.00060 151 7PX 0.00069 0.00015 0.00000 0.00000 0.00350 152 7PY 0.00095 -0.00024 0.00000 0.00000 0.00271 153 7PZ 0.00000 0.00000 -0.00055 0.00073 0.00000 154 8PX -0.00377 -0.00061 0.00000 0.00000 -0.01100 155 8PY -0.00181 0.00027 0.00000 0.00000 -0.00871 156 8PZ 0.00000 0.00000 0.00071 -0.00234 0.00000 157 9PX 0.00757 0.00112 0.00000 0.00000 0.01956 158 9PY 0.00291 -0.00029 0.00000 0.00000 0.01550 159 9PZ 0.00000 0.00000 -0.00089 0.00431 0.00000 160 10PX 0.00619 -0.00089 0.00000 0.00000 0.01485 161 10PY 0.00170 -0.00166 0.00000 0.00000 0.01194 162 10PZ 0.00000 0.00000 -0.00176 0.00414 0.00000 163 11XX 0.00046 0.00012 0.00000 0.00000 0.00084 164 11YY 0.00075 0.00027 0.00000 0.00000 0.00115 165 11ZZ 0.00089 0.00011 0.00000 0.00000 0.00180 166 11XY 0.00007 -0.00005 0.00000 0.00000 -0.00090 167 11XZ 0.00000 0.00000 -0.00019 0.00008 0.00000 168 11YZ 0.00000 0.00000 -0.00012 0.00003 0.00000 169 12XX -0.00012 0.00100 0.00000 0.00000 0.00189 170 12YY 0.00012 0.00076 0.00000 0.00000 0.00107 171 12ZZ -0.00001 0.00125 0.00000 0.00000 -0.00046 172 12XY -0.00020 -0.00021 0.00000 0.00000 0.00221 173 12XZ 0.00000 0.00000 0.00013 -0.00013 0.00000 174 12YZ 0.00000 0.00000 0.00003 0.00017 0.00000 21 22 23 24 25 21 2S 2.18957 22 2PX -0.00640 2.00062 23 2PY 0.00201 0.00382 2.00842 24 2PZ 0.00000 0.00000 0.00000 1.99289 25 3S -0.09271 0.02638 -0.01100 0.00000 0.61154 26 3PX 0.00978 -0.01021 -0.00938 0.00000 -0.03578 27 3PY -0.00532 -0.00907 -0.02974 0.00000 0.02572 28 3PZ 0.00000 0.00000 0.00000 0.00836 0.00000 29 4S -0.01578 -0.00270 0.00777 0.00000 -0.02140 30 4PX 0.00039 -0.01970 0.00385 0.00000 -0.01478 31 4PY 0.00320 0.00215 -0.00964 0.00000 -0.00058 32 4PZ 0.00000 0.00000 0.00000 -0.01783 0.00000 33 5XX -0.02859 -0.00215 0.00961 0.00000 -0.01609 34 5YY -0.03793 -0.00078 -0.00990 0.00000 0.00566 35 5ZZ -0.02059 -0.00985 0.00504 0.00000 -0.04377 36 5XY -0.00347 0.00599 0.00626 0.00000 0.00656 37 5XZ 0.00000 0.00000 0.00000 -0.00466 0.00000 38 5YZ 0.00000 0.00000 0.00000 0.00094 0.00000 39 3 Cl 1S -0.00064 -0.00183 0.00068 0.00244 -0.00170 40 2S 0.00389 0.00835 -0.00308 -0.01116 0.00543 41 2PX -0.02313 -0.01702 0.00987 0.02432 0.05566 42 2PY 0.00938 0.00981 0.00403 -0.00964 -0.02295 43 2PZ 0.02141 0.02248 -0.00892 -0.01816 -0.04548 44 3S 0.00103 -0.01457 0.00524 0.01970 -0.02748 45 3PX 0.05952 0.04394 -0.02522 -0.06213 -0.13487 46 3PY -0.02409 -0.02506 -0.00985 0.02467 0.05555 47 3PZ -0.05218 -0.05689 0.02255 0.04662 0.12781 48 4S -0.00501 -0.00551 0.00119 0.00993 -0.01585 49 4PX 0.02401 0.01986 -0.01116 -0.02871 -0.05091 50 4PY -0.00989 -0.01140 -0.00561 0.01125 0.02154 51 4PZ -0.02450 -0.02760 0.01081 0.02644 0.04761 52 5XX -0.00009 0.00210 0.00054 0.00118 0.00160 53 5YY 0.00289 0.00120 -0.00175 -0.00102 -0.00510 54 5ZZ -0.00293 -0.00438 0.00170 0.00082 0.00800 55 5XY 0.00141 0.00061 0.00130 -0.00118 -0.00327 56 5XZ 0.00632 0.00205 -0.00182 -0.00348 -0.01504 57 5YZ -0.00242 -0.00180 -0.00168 0.00138 0.00586 58 4 Cl 1S -0.00064 -0.00183 0.00068 -0.00244 -0.00170 59 2S 0.00389 0.00835 -0.00308 0.01116 0.00542 60 2PX -0.02313 -0.01702 0.00987 -0.02432 0.05567 61 2PY 0.00938 0.00981 0.00404 0.00964 -0.02295 62 2PZ -0.02141 -0.02248 0.00892 -0.01816 0.04549 63 3S 0.00102 -0.01457 0.00524 -0.01970 -0.02748 64 3PX 0.05953 0.04394 -0.02522 0.06214 -0.13490 65 3PY -0.02409 -0.02506 -0.00986 -0.02467 0.05556 66 3PZ 0.05219 0.05690 -0.02255 0.04662 -0.12784 67 4S -0.00501 -0.00551 0.00119 -0.00993 -0.01586 68 4PX 0.02401 0.01987 -0.01116 0.02872 -0.05092 69 4PY -0.00990 -0.01140 -0.00561 -0.01125 0.02154 70 4PZ 0.02451 0.02760 -0.01081 0.02644 -0.04762 71 5XX -0.00009 0.00210 0.00054 -0.00118 0.00160 72 5YY 0.00289 0.00120 -0.00175 0.00102 -0.00510 73 5ZZ -0.00293 -0.00438 0.00170 -0.00082 0.00800 74 5XY 0.00141 0.00061 0.00130 0.00118 -0.00328 75 5XZ -0.00632 -0.00205 0.00182 -0.00348 0.01505 76 5YZ 0.00242 0.00180 0.00168 0.00138 -0.00586 77 5 Cl 1S -0.00019 -0.00016 -0.00003 0.00000 -0.00008 78 2S 0.00077 0.00062 0.00021 0.00000 0.00045 79 2PX 0.00046 0.00085 -0.00114 0.00000 -0.00256 80 2PY 0.00151 0.00008 0.00067 0.00000 -0.00084 81 2PZ 0.00000 0.00000 0.00000 0.00269 0.00000 82 3S -0.00155 -0.00155 -0.00030 0.00000 0.00086 83 3PX -0.00196 -0.00215 0.00295 0.00000 0.00141 84 3PY -0.00394 -0.00031 -0.00170 0.00000 0.00269 85 3PZ 0.00000 0.00000 0.00000 -0.00695 0.00000 86 4S -0.00023 -0.00168 -0.00002 0.00000 0.00070 87 4PX -0.00066 -0.00211 0.00244 0.00000 0.00160 88 4PY -0.00145 -0.00095 -0.00109 0.00000 0.00173 89 4PZ 0.00000 0.00000 0.00000 -0.00399 0.00000 90 5XX -0.00009 -0.00022 0.00019 0.00000 0.00018 91 5YY -0.00015 -0.00005 -0.00004 0.00000 -0.00032 92 5ZZ 0.00007 0.00002 0.00009 0.00000 -0.00030 93 5XY -0.00012 -0.00008 0.00005 0.00000 0.00029 94 5XZ 0.00000 0.00000 0.00000 -0.00010 0.00000 95 5YZ 0.00000 0.00000 0.00000 0.00013 0.00000 96 6 Cl 1S -0.00229 0.00043 -0.00485 0.00000 0.00137 97 2S 0.01046 -0.00195 0.02149 0.00000 -0.00527 98 2PX 0.00690 0.01709 0.00679 0.00000 -0.00989 99 2PY -0.05344 0.00564 -0.05393 0.00000 0.13928 100 2PZ 0.00000 0.00000 0.00000 0.02042 0.00000 101 3S -0.01503 0.00374 -0.04372 0.00000 -0.00632 102 3PX -0.01856 -0.04351 -0.01715 0.00000 0.01690 103 3PY 0.13249 -0.01432 0.13663 -0.00001 -0.37017 104 3PZ 0.00000 0.00000 -0.00001 -0.05200 0.00001 105 4S 0.00554 0.00021 -0.00432 0.00000 -0.05389 106 4PX -0.00774 -0.02032 -0.00851 0.00000 0.00454 107 4PY 0.05021 -0.00690 0.05939 0.00000 -0.12362 108 4PZ 0.00000 0.00000 0.00000 -0.02633 0.00000 109 5XX 0.00390 -0.00078 0.00261 0.00000 -0.00897 110 5YY -0.00971 0.00138 -0.00522 0.00000 0.03075 111 5ZZ 0.00419 -0.00042 0.00268 0.00000 -0.00952 112 5XY 0.00164 0.00310 0.00158 0.00000 -0.00320 113 5XZ 0.00000 0.00000 0.00000 -0.00051 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00308 0.00000 115 7 Br 1S -0.00010 -0.00009 0.00001 0.00000 0.00026 116 2S 0.00020 0.00020 0.00012 0.00000 -0.00124 117 3S 0.00044 0.00033 -0.00038 0.00000 0.00072 118 4S 0.00018 0.00002 -0.00060 0.00000 0.00119 119 5S -0.00310 -0.00086 0.00025 0.00000 0.00199 120 6S 0.00581 -0.00058 0.00234 0.00000 -0.00477 121 7PX 0.00086 -0.00036 -0.00022 0.00000 0.00266 122 7PY 0.00037 0.00033 -0.00007 0.00000 -0.00252 123 7PZ 0.00000 0.00000 0.00000 -0.00118 0.00000 124 8PX -0.00119 0.00149 0.00063 0.00000 -0.00131 125 8PY -0.00194 -0.00095 0.00023 0.00000 0.00252 126 8PZ 0.00000 0.00000 0.00000 0.00350 0.00000 127 9PX 0.00180 -0.00241 -0.00115 0.00000 -0.00073 128 9PY 0.00397 0.00173 -0.00040 0.00000 -0.00246 129 9PZ 0.00000 0.00000 0.00000 -0.00643 0.00000 130 10PX 0.00065 -0.00251 -0.00179 0.00000 0.00065 131 10PY 0.00223 0.00273 -0.00086 0.00000 -0.00271 132 10PZ 0.00000 0.00000 0.00000 -0.00568 0.00000 133 11XX -0.00038 -0.00023 0.00015 0.00000 -0.00103 134 11YY 0.00012 -0.00008 0.00013 0.00000 0.00079 135 11ZZ -0.00030 -0.00014 0.00019 0.00000 -0.00115 136 11XY -0.00005 -0.00013 -0.00003 0.00000 -0.00049 137 11XZ 0.00000 0.00000 0.00000 0.00014 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00003 0.00000 139 12XX -0.00144 -0.00049 0.00011 0.00000 0.00036 140 12YY -0.00148 -0.00104 -0.00012 0.00000 0.00089 141 12ZZ -0.00132 -0.00059 -0.00025 0.00000 0.00021 142 12XY 0.00001 0.00006 0.00015 0.00000 -0.00053 143 12XZ 0.00000 0.00000 0.00000 -0.00009 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00019 0.00000 145 8 Br 1S 0.00117 -0.00198 -0.00157 0.00000 0.00400 146 2S -0.00799 0.01317 0.01043 0.00000 -0.01908 147 3S 0.00983 -0.01564 -0.01233 0.00000 0.01226 148 4S 0.01554 -0.02741 -0.02194 0.00000 0.02449 149 5S -0.01460 0.03058 0.02382 0.00000 0.00723 150 6S 0.01528 -0.01073 -0.00630 0.00000 -0.09118 151 7PX -0.01681 0.01019 0.01400 0.00000 0.03543 152 7PY -0.01346 0.01349 0.00472 0.00000 0.02508 153 7PZ 0.00000 0.00000 0.00000 -0.00771 0.00000 154 8PX 0.05356 -0.02999 -0.04202 0.00000 -0.12787 155 8PY 0.04025 -0.04035 -0.01346 0.00000 -0.11262 156 8PZ 0.00000 0.00000 0.00000 0.02365 0.00000 157 9PX -0.09591 0.05452 0.07631 0.00000 0.23208 158 9PY -0.07077 0.07349 0.02472 0.00000 0.21240 159 9PZ 0.00000 0.00000 0.00000 -0.04282 0.00001 160 10PX -0.06522 0.03811 0.05484 0.00000 0.14403 161 10PY -0.04811 0.05249 0.01457 0.00000 0.13491 162 10PZ 0.00000 0.00000 0.00000 -0.03468 0.00000 163 11XX -0.00250 0.00750 0.00467 0.00000 -0.01528 164 11YY -0.00451 0.00658 0.00646 0.00000 -0.01209 165 11ZZ -0.00663 0.00730 0.00570 0.00000 0.00491 166 11XY 0.00361 -0.00040 0.00001 0.00000 -0.02037 167 11XZ 0.00000 0.00000 0.00000 0.00083 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00059 0.00000 169 12XX -0.01107 0.00653 0.00949 0.00000 0.02413 170 12YY -0.00669 0.00899 0.00126 0.00000 0.01691 171 12ZZ 0.00057 0.00351 0.00257 0.00000 -0.00239 172 12XY -0.01076 0.00539 0.00230 0.00000 0.02666 173 12XZ 0.00000 0.00000 0.00000 -0.00401 0.00000 174 12YZ 0.00000 0.00000 0.00000 -0.00302 0.00000 26 27 28 29 30 26 3PX 0.19531 27 3PY 0.02361 0.24759 28 3PZ 0.00001 0.00000 0.13325 29 4S 0.00960 -0.01488 0.00000 0.03777 30 4PX 0.01747 -0.00584 0.00000 0.02823 0.04391 31 4PY -0.00338 -0.00425 0.00000 -0.01805 -0.01067 32 4PZ 0.00000 0.00000 0.01381 0.00000 0.00000 33 5XX 0.00294 -0.02929 0.00000 -0.00547 -0.00735 34 5YY -0.01165 0.03511 0.00000 0.00784 0.01170 35 5ZZ 0.02319 -0.01286 0.00000 0.00050 -0.00283 36 5XY -0.02690 -0.01757 0.00000 0.01051 0.01659 37 5XZ 0.00000 0.00000 0.02214 0.00000 0.00000 38 5YZ 0.00000 0.00000 -0.00725 0.00000 0.00000 39 3 Cl 1S 0.00242 -0.00082 -0.00371 -0.00505 -0.00304 40 2S -0.01042 0.00351 0.01647 0.01960 0.01276 41 2PX 0.04401 -0.02543 -0.05939 -0.03150 -0.02259 42 2PY -0.02605 -0.01171 0.02353 0.01238 0.00385 43 2PZ -0.05831 0.02257 0.04226 0.00514 0.00566 44 3S 0.02209 -0.00754 -0.03081 -0.01960 -0.01823 45 3PX -0.11064 0.06463 0.15283 0.00377 0.03045 46 3PY 0.06593 0.03036 -0.06061 -0.00313 0.00753 47 3PZ 0.14926 -0.05789 -0.11059 -0.01651 -0.01109 48 4S -0.01270 0.00645 -0.00173 -0.01176 -0.01655 49 4PX -0.04554 0.02438 0.05722 0.00980 0.02020 50 4PY 0.02523 0.01014 -0.02243 -0.00367 0.00062 51 4PZ 0.05547 -0.02115 -0.04953 -0.00731 -0.00803 52 5XX -0.00398 -0.00112 -0.00184 0.00032 0.00031 53 5YY -0.00207 0.00326 0.00179 0.00066 0.00086 54 5ZZ 0.01040 -0.00394 -0.00234 -0.00115 -0.00061 55 5XY -0.00113 -0.00258 0.00197 0.00031 0.00037 56 5XZ -0.00518 0.00396 0.00787 -0.00034 0.00055 57 5YZ 0.00408 0.00324 -0.00314 -0.00003 0.00054 58 4 Cl 1S 0.00242 -0.00082 0.00371 -0.00505 -0.00304 59 2S -0.01042 0.00351 -0.01648 0.01960 0.01276 60 2PX 0.04401 -0.02543 0.05940 -0.03150 -0.02259 61 2PY -0.02605 -0.01172 -0.02353 0.01238 0.00385 62 2PZ 0.05832 -0.02258 0.04226 -0.00514 -0.00566 63 3S 0.02210 -0.00754 0.03082 -0.01961 -0.01823 64 3PX -0.11065 0.06463 -0.15285 0.00376 0.03045 65 3PY 0.06594 0.03037 0.06062 -0.00313 0.00753 66 3PZ -0.14928 0.05789 -0.11059 0.01651 0.01110 67 4S -0.01271 0.00645 0.00173 -0.01176 -0.01656 68 4PX -0.04554 0.02438 -0.05722 0.00979 0.02020 69 4PY 0.02523 0.01015 0.02244 -0.00367 0.00062 70 4PZ -0.05548 0.02115 -0.04953 0.00731 0.00803 71 5XX -0.00398 -0.00112 0.00184 0.00032 0.00031 72 5YY -0.00207 0.00326 -0.00179 0.00066 0.00087 73 5ZZ 0.01040 -0.00394 0.00234 -0.00115 -0.00061 74 5XY -0.00113 -0.00258 -0.00197 0.00031 0.00037 75 5XZ 0.00518 -0.00396 0.00787 0.00034 -0.00055 76 5YZ -0.00408 -0.00324 -0.00314 0.00003 -0.00054 77 5 Cl 1S 0.00052 0.00010 0.00000 0.00235 0.00024 78 2S -0.00230 -0.00063 0.00000 -0.00978 -0.00161 79 2PX -0.00402 0.00433 0.00000 -0.00935 -0.00677 80 2PY 0.00073 -0.00256 0.00000 -0.00755 -0.00031 81 2PZ 0.00000 0.00000 -0.00761 0.00000 0.00000 82 3S 0.00329 0.00114 0.00000 0.00707 0.00198 83 3PX 0.01148 -0.01157 0.00000 0.05359 0.03319 84 3PY -0.00241 0.00742 0.00000 0.01740 0.00032 85 3PZ 0.00000 0.00000 0.01848 0.00000 0.00000 86 4S 0.00980 0.00247 0.00000 -0.00092 0.00069 87 4PX 0.00552 -0.00636 0.00000 0.02462 0.01484 88 4PY 0.00343 0.00219 0.00000 0.00573 0.00030 89 4PZ 0.00000 0.00000 0.01222 0.00000 0.00000 90 5XX 0.00014 -0.00044 0.00000 -0.00071 -0.00025 91 5YY -0.00055 0.00028 0.00000 0.00165 0.00031 92 5ZZ -0.00057 -0.00006 0.00000 -0.00040 0.00001 93 5XY 0.00047 -0.00019 0.00000 0.00206 0.00121 94 5XZ 0.00000 0.00000 0.00023 0.00000 0.00000 95 5YZ 0.00000 0.00000 -0.00016 0.00000 0.00000 96 6 Cl 1S -0.00052 0.00780 0.00000 -0.00882 -0.00178 97 2S 0.00249 -0.03332 0.00000 0.03375 0.00682 98 2PX -0.04394 -0.01906 0.00000 -0.01834 -0.04122 99 2PY -0.01217 0.14516 -0.00001 -0.00927 -0.00289 100 2PZ 0.00000 -0.00001 -0.05321 0.00000 0.00000 101 3S -0.00512 0.06646 0.00000 -0.03075 -0.00221 102 3PX 0.11107 0.04940 0.00000 0.08260 0.14971 103 3PY 0.03113 -0.35839 0.00002 0.01304 0.00940 104 3PZ 0.00000 0.00001 0.13459 0.00000 0.00000 105 4S 0.00061 -0.03884 0.00000 -0.00813 0.00064 106 4PX 0.04725 0.01864 0.00000 0.04039 0.07262 107 4PY 0.01259 -0.12371 0.00001 0.00408 0.00433 108 4PZ 0.00000 0.00001 0.06441 0.00000 0.00000 109 5XX 0.00180 -0.00626 0.00000 0.00083 0.00098 110 5YY -0.00243 0.01995 0.00000 -0.00219 -0.00149 111 5ZZ 0.00096 -0.00656 0.00000 0.00040 0.00000 112 5XY -0.00703 -0.00469 0.00000 -0.00284 -0.00510 113 5XZ 0.00000 0.00000 0.00113 0.00000 0.00000 114 5YZ 0.00000 0.00000 -0.00692 0.00000 0.00000 115 7 Br 1S 0.00104 -0.00025 0.00000 0.00265 0.00495 116 2S -0.00477 0.00097 0.00000 -0.01165 -0.02332 117 3S 0.00283 -0.00027 0.00000 0.00624 0.01499 118 4S 0.00342 0.00064 0.00000 0.00866 0.02185 119 5S -0.00219 0.00310 0.00000 0.00906 0.00392 120 6S 0.01609 -0.01917 0.00000 -0.00500 0.00189 121 7PX 0.00167 0.00052 0.00000 -0.01402 -0.00693 122 7PY -0.00160 0.00017 0.00000 0.00197 0.00141 123 7PZ 0.00000 0.00000 0.00376 0.00000 0.00000 124 8PX -0.00743 -0.00128 0.00000 -0.00271 -0.00359 125 8PY 0.00381 -0.00077 0.00000 0.02324 0.00797 126 8PZ 0.00000 0.00000 -0.00988 0.00000 0.00000 127 9PX 0.01453 0.00220 0.00000 0.02349 0.01669 128 9PY -0.00668 0.00144 0.00000 -0.05401 -0.01957 129 9PZ 0.00000 0.00000 0.01726 0.00000 0.00000 130 10PX 0.00702 0.00500 0.00000 0.01955 0.01252 131 10PY -0.00914 0.00269 0.00000 -0.03901 -0.01391 132 10PZ 0.00000 0.00000 0.01704 0.00000 0.00000 133 11XX -0.00168 0.00037 0.00000 0.00149 -0.00691 134 11YY -0.00203 0.00040 0.00000 -0.01230 -0.01398 135 11ZZ -0.00212 0.00038 0.00000 -0.00217 -0.00774 136 11XY 0.00048 0.00012 0.00000 0.00196 0.00156 137 11XZ 0.00000 0.00000 -0.00041 0.00000 0.00000 138 11YZ 0.00000 0.00000 -0.00011 0.00000 0.00000 139 12XX -0.00298 0.00257 0.00000 -0.00161 -0.00349 140 12YY -0.00163 0.00269 0.00000 0.00284 -0.00189 141 12ZZ -0.00342 0.00299 0.00000 -0.00027 -0.00270 142 12XY -0.00026 -0.00017 0.00000 0.00197 0.00056 143 12XZ 0.00000 0.00000 -0.00021 0.00000 0.00000 144 12YZ 0.00000 0.00000 -0.00069 0.00000 0.00000 145 8 Br 1S 0.00377 0.00235 0.00000 -0.03506 0.01461 146 2S -0.02340 -0.01553 0.00000 0.16664 -0.07071 147 3S 0.02582 0.01849 0.00000 -0.11031 0.04913 148 4S 0.04238 0.03073 0.00000 -0.16329 0.07325 149 5S -0.05653 -0.04589 0.00000 -0.00925 -0.00825 150 6S 0.07286 0.06009 0.00000 -0.02993 0.02463 151 7PX -0.02396 -0.03490 0.00000 -0.02448 0.00202 152 7PY -0.03246 -0.01221 0.00000 -0.00601 0.00311 153 7PZ 0.00000 0.00000 0.01955 0.00000 0.00000 154 8PX 0.07685 0.10907 0.00001 -0.01281 -0.03535 155 8PY 0.10019 0.03550 0.00000 0.03203 0.02908 156 8PZ 0.00001 0.00000 -0.06058 0.00000 0.00000 157 9PX -0.13872 -0.19647 -0.00001 0.05839 0.07638 158 9PY -0.18021 -0.06313 -0.00001 -0.06363 -0.06864 159 9PZ -0.00001 0.00000 0.10928 0.00000 0.00000 160 10PX -0.08017 -0.12375 -0.00001 0.03975 0.06175 161 10PY -0.11237 -0.02900 0.00000 -0.05218 -0.05069 162 10PZ -0.00001 0.00000 0.08491 0.00000 0.00000 163 11XX -0.00977 -0.00052 0.00000 0.05936 -0.03682 164 11YY -0.00893 -0.01163 0.00000 0.07804 -0.02257 165 11ZZ -0.01783 -0.01298 0.00000 0.06825 -0.02969 166 11XY 0.01023 0.00669 0.00000 -0.00403 -0.00096 167 11XZ 0.00000 0.00000 -0.00376 0.00000 0.00000 168 11YZ 0.00000 0.00000 -0.00310 0.00000 0.00000 169 12XX -0.01838 -0.02264 0.00000 0.02598 -0.00860 170 12YY -0.02093 -0.00850 0.00000 0.01879 -0.01746 171 12ZZ -0.01138 -0.00915 0.00000 0.02274 -0.01239 172 12XY -0.01014 -0.00597 0.00000 -0.00155 -0.00186 173 12XZ 0.00000 0.00000 0.00661 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00492 0.00000 0.00000 31 32 33 34 35 31 4PY 0.02400 32 4PZ 0.00000 0.02010 33 5XX 0.01171 0.00000 0.01413 34 5YY -0.01459 0.00000 -0.01230 0.01904 35 5ZZ 0.00291 0.00000 0.00273 -0.00702 0.01159 36 5XY 0.00205 0.00000 0.00059 0.00141 -0.00409 37 5XZ 0.00000 -0.01161 0.00000 0.00000 0.00000 38 5YZ 0.00000 0.00393 0.00000 0.00000 0.00000 39 3 Cl 1S 0.00128 0.00273 0.00035 -0.00130 0.00220 40 2S -0.00531 -0.01093 -0.00127 0.00580 -0.00925 41 2PX 0.00528 0.01034 -0.00381 -0.01031 0.01686 42 2PY -0.01282 -0.00387 -0.00833 0.01455 -0.00679 43 2PZ -0.00271 -0.01304 -0.01570 0.00837 0.00107 44 3S 0.00669 0.01452 0.00214 -0.01139 0.01982 45 3PX 0.00425 -0.01409 0.01333 0.02694 -0.04025 46 3PY 0.04112 0.00510 0.02037 -0.03750 0.01636 47 3PZ 0.00764 0.03993 0.03518 -0.02400 -0.00879 48 4S 0.00712 0.01452 0.00146 -0.00632 0.00895 49 4PX -0.00141 -0.01000 0.00490 0.01286 -0.01823 50 4PY 0.01981 0.00411 0.01097 -0.01858 0.00736 51 4PZ 0.00422 0.01967 0.01540 -0.01066 -0.00334 52 5XX -0.00026 -0.00088 -0.00059 0.00042 -0.00025 53 5YY -0.00037 -0.00076 -0.00104 0.00092 0.00010 54 5ZZ 0.00042 0.00154 0.00231 -0.00156 -0.00055 55 5XY -0.00019 -0.00009 0.00002 -0.00003 0.00019 56 5XZ 0.00051 -0.00028 0.00096 0.00116 -0.00157 57 5YZ 0.00167 0.00014 0.00037 -0.00124 0.00064 58 4 Cl 1S 0.00128 -0.00273 0.00035 -0.00130 0.00220 59 2S -0.00531 0.01093 -0.00127 0.00580 -0.00925 60 2PX 0.00528 -0.01034 -0.00381 -0.01031 0.01687 61 2PY -0.01283 0.00387 -0.00833 0.01455 -0.00679 62 2PZ 0.00271 -0.01304 0.01571 -0.00837 -0.00108 63 3S 0.00669 -0.01452 0.00214 -0.01139 0.01982 64 3PX 0.00425 0.01409 0.01334 0.02695 -0.04026 65 3PY 0.04113 -0.00510 0.02037 -0.03751 0.01636 66 3PZ -0.00764 0.03993 -0.03518 0.02401 0.00880 67 4S 0.00712 -0.01452 0.00146 -0.00632 0.00895 68 4PX -0.00141 0.01000 0.00490 0.01286 -0.01823 69 4PY 0.01981 -0.00411 0.01097 -0.01858 0.00736 70 4PZ -0.00422 0.01967 -0.01541 0.01066 0.00334 71 5XX -0.00026 0.00088 -0.00059 0.00042 -0.00025 72 5YY -0.00037 0.00076 -0.00104 0.00092 0.00010 73 5ZZ 0.00042 -0.00154 0.00231 -0.00156 -0.00055 74 5XY -0.00019 0.00009 0.00002 -0.00003 0.00019 75 5XZ -0.00051 -0.00028 -0.00096 -0.00116 0.00157 76 5YZ -0.00167 0.00014 -0.00037 0.00124 -0.00064 77 5 Cl 1S -0.00203 0.00000 0.00011 -0.00030 0.00016 78 2S 0.00753 0.00000 -0.00053 0.00134 -0.00069 79 2PX 0.00101 0.00000 -0.00191 -0.00067 0.00116 80 2PY 0.00147 0.00000 0.00220 0.00189 -0.00302 81 2PZ 0.00000 0.00016 0.00000 0.00000 0.00000 82 3S -0.00520 0.00000 0.00057 -0.00259 0.00206 83 3PX -0.00763 0.00000 0.00527 0.00245 -0.00414 84 3PY -0.00304 0.00000 -0.00609 -0.00517 0.00779 85 3PZ 0.00000 -0.00200 0.00000 0.00000 0.00000 86 4S 0.00208 0.00000 0.00346 -0.00334 0.00068 87 4PX -0.00374 0.00000 0.00281 0.00164 -0.00278 88 4PY 0.00097 0.00000 -0.00127 -0.00355 0.00383 89 4PZ 0.00000 -0.00144 0.00000 0.00000 0.00000 90 5XX -0.00002 0.00000 -0.00004 0.00016 -0.00005 91 5YY -0.00061 0.00000 -0.00018 -0.00002 0.00000 92 5ZZ 0.00006 0.00000 -0.00003 0.00024 -0.00015 93 5XY 0.00000 0.00000 0.00011 -0.00020 0.00020 94 5XZ 0.00000 0.00001 0.00000 0.00000 0.00000 95 5YZ 0.00000 0.00002 0.00000 0.00000 0.00000 96 6 Cl 1S -0.00558 0.00000 -0.00245 0.00471 -0.00188 97 2S 0.02045 0.00000 0.01043 -0.02059 0.00801 98 2PX -0.00257 0.00000 0.00543 -0.01037 0.00363 99 2PY -0.01509 0.00000 -0.02577 0.03953 -0.01890 100 2PZ 0.00000 -0.02375 0.00000 0.00000 0.00000 101 3S -0.01914 0.00000 -0.02030 0.03858 -0.01550 102 3PX 0.00448 0.00000 -0.01414 0.02474 -0.00821 103 3PY 0.04161 0.00000 0.06781 -0.07938 0.05124 104 3PZ 0.00000 0.07940 0.00000 0.00001 -0.00001 105 4S -0.01350 0.00000 -0.00220 0.00963 0.00001 106 4PX 0.00423 0.00000 -0.00545 0.01096 -0.00426 107 4PY 0.01794 0.00000 0.02491 -0.02979 0.01799 108 4PZ 0.00000 0.03896 0.00000 0.00000 0.00000 109 5XX 0.00116 0.00000 0.00156 -0.00194 0.00124 110 5YY -0.00136 0.00000 -0.00341 0.00378 -0.00336 111 5ZZ 0.00081 0.00000 0.00136 -0.00192 0.00143 112 5XY 0.00055 0.00000 0.00106 -0.00128 0.00020 113 5XZ 0.00000 0.00002 0.00000 0.00000 0.00000 114 5YZ 0.00000 -0.00275 0.00000 0.00000 0.00000 115 7 Br 1S 0.00846 0.00000 0.00007 -0.00013 -0.00028 116 2S -0.04097 0.00000 -0.00046 0.00061 0.00154 117 3S 0.02837 0.00000 0.00050 -0.00036 -0.00135 118 4S 0.04296 0.00000 0.00108 -0.00053 -0.00242 119 5S -0.00111 0.00000 -0.00090 -0.00077 0.00143 120 6S -0.00081 0.00000 -0.00115 0.00158 0.00134 121 7PX -0.00142 0.00000 0.00152 0.00029 -0.00069 122 7PY -0.00151 0.00000 0.00020 0.00031 -0.00095 123 7PZ 0.00000 0.00065 0.00000 0.00000 0.00000 124 8PX 0.00602 0.00000 -0.00578 -0.00058 0.00377 125 8PY -0.00623 0.00000 -0.00043 -0.00088 0.00181 126 8PZ 0.00000 0.00037 0.00000 0.00000 0.00000 127 9PX -0.01188 0.00000 0.01098 0.00107 -0.00757 128 9PY 0.01564 0.00000 0.00067 0.00149 -0.00291 129 9PZ 0.00000 -0.00166 0.00000 0.00000 0.00000 130 10PX -0.00844 0.00000 0.00910 -0.00002 -0.00619 131 10PY 0.01162 0.00000 -0.00097 0.00162 -0.00170 132 10PZ 0.00000 -0.00173 0.00000 0.00000 0.00000 133 11XX -0.01847 0.00000 -0.00028 0.00016 0.00046 134 11YY -0.01641 0.00000 -0.00017 0.00018 0.00075 135 11ZZ -0.01671 0.00000 -0.00021 0.00038 0.00089 136 11XY 0.00013 0.00000 0.00026 0.00006 0.00007 137 11XZ 0.00000 0.00013 0.00000 0.00000 0.00000 138 11YZ 0.00000 -0.00063 0.00000 0.00000 0.00000 139 12XX -0.00430 0.00000 0.00007 -0.00014 -0.00012 140 12YY -0.00601 0.00000 0.00036 -0.00033 0.00012 141 12ZZ -0.00498 0.00000 0.00012 -0.00003 -0.00001 142 12XY -0.00071 0.00000 -0.00003 0.00015 -0.00020 143 12XZ 0.00000 -0.00004 0.00000 0.00000 0.00000 144 12YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 145 8 Br 1S 0.02356 0.00000 -0.00115 -0.00026 0.00018 146 2S -0.11315 -0.00001 0.00712 0.00137 -0.00259 147 3S 0.07706 0.00000 -0.00774 -0.00109 0.00507 148 4S 0.11491 0.00001 -0.01377 -0.00187 0.00923 149 5S -0.00420 0.00000 0.01120 0.00123 -0.01311 150 6S 0.02569 0.00000 0.00631 0.00106 0.00385 151 7PX 0.00873 0.00000 0.00215 0.00946 -0.00373 152 7PY 0.00868 0.00000 0.01353 -0.00548 -0.00098 153 7PZ 0.00000 0.00519 0.00000 0.00000 0.00000 154 8PX 0.01705 0.00000 0.00739 -0.01756 0.01732 155 8PY -0.04422 0.00000 -0.02932 0.02638 0.01081 156 8PZ 0.00000 -0.04164 0.00000 0.00000 0.00000 157 9PX -0.04849 0.00000 -0.01844 0.02814 -0.03257 158 9PY 0.08767 0.00000 0.04881 -0.05113 -0.02155 159 9PZ 0.00000 0.08621 0.00000 0.00000 0.00000 160 10PX -0.03555 0.00000 -0.01653 0.02420 -0.02130 161 10PY 0.07266 0.00000 0.03905 -0.04103 -0.01261 162 10PZ 0.00000 0.06943 0.00000 0.00000 0.00000 163 11XX -0.04158 0.00000 0.00503 0.00022 -0.00099 164 11YY -0.05347 0.00000 0.00271 0.00167 -0.00092 165 11ZZ -0.04629 0.00000 0.00304 -0.00010 -0.00367 166 11XY -0.00096 0.00000 0.00069 0.00195 0.00257 167 11XZ 0.00000 -0.00312 0.00000 0.00000 0.00000 168 11YZ 0.00000 -0.00334 0.00000 0.00000 0.00000 169 12XX -0.02141 0.00000 -0.00039 0.00216 -0.00344 170 12YY -0.01342 0.00000 0.00317 -0.00194 -0.00276 171 12ZZ -0.01730 0.00000 0.00089 0.00016 -0.00077 172 12XY 0.00182 0.00000 0.00130 -0.00114 -0.00239 173 12XZ 0.00000 0.00360 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00324 0.00000 0.00000 0.00000 36 37 38 39 40 36 5XY 0.01847 37 5XZ 0.00000 0.01513 38 5YZ 0.00000 -0.00221 0.01162 39 3 Cl 1S -0.00098 -0.00281 0.00115 2.16061 40 2S 0.00424 0.01227 -0.00502 -0.61774 2.38929 41 2PX -0.01211 -0.01874 0.01249 0.00000 0.00000 42 2PY -0.00698 0.01240 0.00727 0.00000 0.00000 43 2PZ 0.01382 0.02162 -0.00871 0.00371 -0.01575 44 3S -0.00796 -0.02343 0.00961 0.04673 -0.44070 45 3PX 0.02936 0.04577 -0.03120 0.00000 0.00000 46 3PY 0.01904 -0.03091 -0.01915 0.00000 0.00000 47 3PZ -0.03401 -0.05294 0.02134 -0.00990 0.04259 48 4S -0.00506 -0.01362 0.00558 0.07339 -0.30495 49 4PX 0.01543 0.01974 -0.01540 0.00000 0.00000 50 4PY 0.00909 -0.01516 -0.01183 0.00000 0.00000 51 4PZ -0.01521 -0.02506 0.01021 -0.00360 0.01729 52 5XX 0.00090 0.00040 0.00024 0.02378 -0.03103 53 5YY 0.00088 0.00098 -0.00082 0.02213 -0.02332 54 5ZZ -0.00223 -0.00159 0.00064 0.02336 -0.02922 55 5XY 0.00031 0.00065 0.00025 -0.00091 0.00425 56 5XZ 0.00077 0.00213 -0.00125 0.00000 0.00000 57 5YZ 0.00063 -0.00125 -0.00052 0.00000 0.00000 58 4 Cl 1S -0.00098 0.00281 -0.00115 -0.00005 0.00008 59 2S 0.00424 -0.01227 0.00502 0.00008 0.00013 60 2PX -0.01211 0.01874 -0.01249 0.00000 0.00000 61 2PY -0.00698 -0.01240 -0.00728 0.00000 0.00000 62 2PZ -0.01382 0.02162 -0.00871 -0.00210 0.00978 63 3S -0.00797 0.02344 -0.00961 -0.00048 0.00173 64 3PX 0.02937 -0.04577 0.03120 0.00000 0.00000 65 3PY 0.01904 0.03091 0.01916 0.00000 0.00000 66 3PZ 0.03401 -0.05294 0.02134 0.00536 -0.02492 67 4S -0.00506 0.01362 -0.00558 0.00337 -0.01364 68 4PX 0.01543 -0.01974 0.01540 0.00000 0.00000 69 4PY 0.00910 0.01516 0.01183 0.00000 0.00000 70 4PZ 0.01521 -0.02506 0.01021 0.00132 -0.00710 71 5XX 0.00090 -0.00040 -0.00024 -0.00004 0.00010 72 5YY 0.00088 -0.00098 0.00082 0.00000 -0.00005 73 5ZZ -0.00223 0.00159 -0.00064 -0.00054 0.00223 74 5XY 0.00031 -0.00065 -0.00025 0.00001 -0.00005 75 5XZ -0.00077 0.00213 -0.00125 0.00000 0.00000 76 5YZ -0.00063 -0.00125 -0.00052 0.00000 0.00000 77 5 Cl 1S 0.00008 0.00000 0.00000 -0.00004 0.00012 78 2S -0.00043 0.00000 0.00000 0.00012 -0.00032 79 2PX 0.00156 0.00000 0.00000 -0.00085 0.00388 80 2PY -0.00149 0.00000 0.00000 0.00107 -0.00434 81 2PZ 0.00000 -0.00176 -0.00085 -0.00113 0.00515 82 3S 0.00087 0.00000 0.00000 -0.00045 0.00177 83 3PX -0.00463 0.00000 0.00000 0.00222 -0.01065 84 3PY 0.00431 0.00000 0.00000 -0.00261 0.01060 85 3PZ 0.00000 0.00416 0.00282 0.00291 -0.01355 86 4S 0.00095 0.00000 0.00000 0.00140 -0.00541 87 4PX -0.00366 0.00000 0.00000 0.00040 -0.00233 88 4PY 0.00180 0.00000 0.00000 -0.00056 0.00224 89 4PZ 0.00000 0.00329 0.00127 0.00131 -0.00634 90 5XX -0.00021 0.00000 0.00000 0.00002 -0.00002 91 5YY 0.00008 0.00000 0.00000 -0.00013 0.00052 92 5ZZ -0.00003 0.00000 0.00000 0.00005 -0.00018 93 5XY 0.00008 0.00000 0.00000 0.00005 -0.00026 94 5XZ 0.00000 0.00011 0.00006 0.00000 -0.00005 95 5YZ 0.00000 -0.00023 0.00007 0.00006 -0.00029 96 6 Cl 1S -0.00092 0.00000 0.00000 -0.00004 0.00012 97 2S 0.00405 0.00000 0.00000 0.00012 -0.00032 98 2PX -0.03153 0.00000 0.00000 0.00085 -0.00388 99 2PY -0.01172 0.00000 0.00000 -0.00107 0.00434 100 2PZ 0.00000 0.00453 -0.03149 -0.00113 0.00515 101 3S -0.00790 0.00000 0.00000 -0.00045 0.00177 102 3PX 0.07947 0.00000 0.00000 -0.00222 0.01065 103 3PY 0.02720 0.00000 0.00001 0.00261 -0.01060 104 3PZ 0.00000 -0.01149 0.07954 0.00291 -0.01355 105 4S -0.00273 0.00000 0.00000 0.00140 -0.00541 106 4PX 0.04203 0.00000 0.00000 -0.00040 0.00233 107 4PY 0.01208 0.00000 0.00000 0.00056 -0.00224 108 4PZ 0.00000 -0.00512 0.04413 0.00131 -0.00634 109 5XX 0.00097 0.00000 0.00000 0.00002 -0.00002 110 5YY -0.00130 0.00000 0.00000 -0.00013 0.00052 111 5ZZ 0.00032 0.00000 0.00000 0.00005 -0.00018 112 5XY -0.00187 0.00000 0.00000 0.00005 -0.00026 113 5XZ 0.00000 0.00039 0.00034 0.00000 0.00005 114 5YZ 0.00000 -0.00014 -0.00233 -0.00006 0.00029 115 7 Br 1S -0.00016 0.00000 0.00000 -0.00001 -0.00029 116 2S 0.00056 0.00000 0.00000 -0.00005 0.00161 117 3S -0.00004 0.00000 0.00000 0.00018 -0.00151 118 4S 0.00040 0.00000 0.00000 0.00019 -0.00208 119 5S 0.00053 0.00000 0.00000 -0.00094 0.00383 120 6S -0.00811 0.00000 0.00000 0.00260 -0.00987 121 7PX -0.00015 0.00000 0.00000 0.00058 -0.00212 122 7PY 0.00024 0.00000 0.00000 0.00009 -0.00034 123 7PZ 0.00000 0.00055 -0.00073 0.00046 -0.00195 124 8PX 0.00061 0.00000 0.00000 -0.00175 0.00740 125 8PY -0.00027 0.00000 0.00000 -0.00029 0.00073 126 8PZ 0.00000 -0.00071 0.00234 -0.00139 0.00638 127 9PX -0.00112 0.00000 0.00000 0.00321 -0.01398 128 9PY 0.00029 0.00000 0.00000 0.00040 -0.00065 129 9PZ 0.00000 0.00089 -0.00431 0.00258 -0.01196 130 10PX 0.00089 0.00000 0.00000 0.00127 -0.00579 131 10PY 0.00166 0.00000 0.00000 0.00025 -0.00029 132 10PZ 0.00000 0.00176 -0.00414 0.00185 -0.00885 133 11XX 0.00012 0.00000 0.00000 -0.00008 0.00051 134 11YY 0.00027 0.00000 0.00000 -0.00012 0.00098 135 11ZZ 0.00011 0.00000 0.00000 -0.00018 0.00119 136 11XY -0.00005 0.00000 0.00000 0.00009 -0.00036 137 11XZ 0.00000 -0.00019 0.00008 0.00001 -0.00008 138 11YZ 0.00000 -0.00012 0.00003 0.00001 -0.00013 139 12XX 0.00100 0.00000 0.00000 -0.00042 0.00177 140 12YY 0.00076 0.00000 0.00000 -0.00034 0.00134 141 12ZZ 0.00125 0.00000 0.00000 -0.00036 0.00147 142 12XY -0.00021 0.00000 0.00000 -0.00004 0.00009 143 12XZ 0.00000 0.00013 -0.00013 -0.00019 0.00075 144 12YZ 0.00000 0.00003 0.00017 -0.00005 0.00033 145 8 Br 1S -0.00091 0.00000 0.00000 -0.00001 -0.00029 146 2S 0.00788 0.00000 0.00000 -0.00005 0.00161 147 3S -0.01175 0.00000 0.00000 0.00018 -0.00151 148 4S -0.02206 0.00000 0.00000 0.00019 -0.00208 149 5S 0.02506 0.00000 0.00000 -0.00094 0.00383 150 6S 0.00686 0.00000 0.00000 0.00260 -0.00987 151 7PX 0.01337 0.00000 0.00000 -0.00058 0.00212 152 7PY 0.00845 0.00000 0.00000 -0.00009 0.00034 153 7PZ 0.00000 -0.00891 -0.00581 0.00046 -0.00195 154 8PX -0.03391 0.00000 0.00000 0.00175 -0.00740 155 8PY -0.01920 0.00000 0.00000 0.00029 -0.00073 156 8PZ 0.00000 0.02741 0.01928 -0.00139 0.00638 157 9PX 0.05818 0.00000 0.00000 -0.00321 0.01398 158 9PY 0.03165 0.00000 0.00000 -0.00040 0.00065 159 9PZ 0.00000 -0.04969 -0.03494 0.00258 -0.01196 160 10PX 0.03874 0.00000 0.00000 -0.00127 0.00579 161 10PY 0.02029 0.00000 0.00000 -0.00025 0.00029 162 10PZ 0.00000 -0.04194 -0.03129 0.00185 -0.00885 163 11XX 0.00356 0.00000 0.00000 -0.00008 0.00051 164 11YY 0.00518 0.00000 0.00000 -0.00012 0.00098 165 11ZZ 0.00536 0.00000 0.00000 -0.00018 0.00119 166 11XY -0.00153 0.00000 0.00000 0.00009 -0.00036 167 11XZ 0.00000 0.00074 0.00141 -0.00001 0.00008 168 11YZ 0.00000 0.00082 0.00066 -0.00001 0.00013 169 12XX 0.00430 0.00000 0.00000 -0.00042 0.00177 170 12YY 0.00198 0.00000 0.00000 -0.00034 0.00134 171 12ZZ 0.00124 0.00000 0.00000 -0.00036 0.00147 172 12XY 0.00257 0.00000 0.00000 -0.00004 0.00009 173 12XZ 0.00000 -0.00175 -0.00211 0.00019 -0.00075 174 12YZ 0.00000 -0.00161 -0.00100 0.00005 -0.00033 41 42 43 44 45 41 2PX 2.10576 42 2PY 0.00753 2.12181 43 2PZ 0.00000 0.00000 2.10827 44 3S 0.00000 0.00000 0.04386 1.20754 45 3PX -0.30523 -0.02006 0.00000 0.00000 0.93677 46 3PY -0.02005 -0.34789 0.00000 0.00001 0.05074 47 3PZ 0.00000 0.00000 -0.31168 -0.11153 0.00000 48 4S 0.00001 -0.00001 0.02270 0.52020 -0.00002 49 4PX -0.18815 -0.01750 0.00000 0.00000 0.40910 50 4PY -0.01765 -0.22507 0.00000 0.00000 0.05417 51 4PZ 0.00001 -0.00001 -0.18312 -0.06223 -0.00001 52 5XX 0.00000 0.00000 0.00195 -0.00493 0.00000 53 5YY 0.00000 0.00000 0.00602 -0.01975 0.00000 54 5ZZ 0.00000 0.00000 -0.01536 -0.01010 0.00000 55 5XY 0.00000 0.00000 0.00227 -0.00828 0.00000 56 5XZ -0.01732 0.00233 0.00000 0.00000 0.04549 57 5YZ 0.00232 -0.01244 0.00000 0.00000 -0.00607 58 4 Cl 1S 0.00000 0.00000 0.00210 -0.00048 0.00000 59 2S 0.00000 0.00000 -0.00978 0.00173 0.00000 60 2PX -0.00624 0.00034 0.00000 0.00000 0.01662 61 2PY 0.00034 -0.00577 0.00000 0.00000 -0.00132 62 2PZ 0.00000 0.00000 0.02465 -0.01994 0.00000 63 3S 0.00000 0.00000 0.01994 0.00007 0.00000 64 3PX 0.01662 -0.00132 0.00000 0.00000 -0.04166 65 3PY -0.00127 0.01460 0.00000 0.00000 0.00449 66 3PZ 0.00000 0.00000 -0.06645 0.04977 -0.00001 67 4S 0.00000 0.00000 0.02389 0.01438 0.00000 68 4PX 0.00174 0.00469 0.00000 0.00000 -0.01715 69 4PY 0.00428 0.01167 0.00000 0.00000 -0.00910 70 4PZ 0.00000 0.00000 -0.04469 0.01862 0.00000 71 5XX 0.00000 0.00000 0.00225 0.00087 0.00000 72 5YY 0.00000 0.00000 0.00014 0.00133 0.00000 73 5ZZ 0.00000 0.00000 -0.00379 -0.00419 0.00000 74 5XY 0.00000 0.00000 -0.00109 0.00011 0.00000 75 5XZ 0.00126 0.00012 0.00000 0.00000 -0.00250 76 5YZ 0.00012 0.00155 0.00000 0.00000 -0.00045 77 5 Cl 1S 0.00054 -0.00106 0.00039 -0.00042 -0.00137 78 2S -0.00198 0.00467 -0.00162 0.00153 0.00558 79 2PX 0.00219 -0.00713 0.00454 -0.00842 -0.00584 80 2PY -0.00745 0.00812 -0.00603 0.01231 0.01979 81 2PZ 0.00516 -0.00640 0.00243 -0.01150 -0.01359 82 3S 0.00640 -0.01103 0.00451 -0.00241 -0.01462 83 3PX -0.00586 0.01878 -0.01179 0.02069 0.01492 84 3PY 0.01910 -0.02139 0.01543 -0.03021 -0.05070 85 3PZ -0.01350 0.01721 -0.00661 0.02894 0.03476 86 4S -0.00696 -0.00899 -0.00236 0.00753 0.00752 87 4PX -0.00152 0.01261 -0.00842 0.00656 0.00803 88 4PY 0.00593 -0.01324 0.00553 -0.00869 -0.02042 89 4PZ -0.00868 0.01052 -0.00405 0.01518 0.02553 90 5XX 0.00046 0.00065 -0.00039 0.00048 -0.00039 91 5YY -0.00002 -0.00011 -0.00030 -0.00168 0.00013 92 5ZZ -0.00009 0.00046 0.00003 0.00098 0.00091 93 5XY 0.00055 -0.00100 0.00055 0.00085 -0.00108 94 5XZ -0.00022 0.00088 -0.00037 0.00015 0.00070 95 5YZ 0.00076 -0.00103 0.00053 0.00083 -0.00166 96 6 Cl 1S -0.00054 0.00106 0.00039 -0.00042 0.00137 97 2S 0.00198 -0.00466 -0.00162 0.00153 -0.00558 98 2PX 0.00219 -0.00713 -0.00454 0.00842 -0.00584 99 2PY -0.00745 0.00812 0.00603 -0.01231 0.01979 100 2PZ -0.00516 0.00640 0.00243 -0.01150 0.01359 101 3S -0.00640 0.01103 0.00451 -0.00241 0.01462 102 3PX -0.00586 0.01879 0.01179 -0.02070 0.01493 103 3PY 0.01910 -0.02139 -0.01543 0.03021 -0.05070 104 3PZ 0.01350 -0.01721 -0.00661 0.02894 -0.03476 105 4S 0.00696 0.00899 -0.00236 0.00752 -0.00752 106 4PX -0.00152 0.01261 0.00842 -0.00656 0.00803 107 4PY 0.00593 -0.01324 -0.00553 0.00869 -0.02042 108 4PZ 0.00869 -0.01052 -0.00405 0.01518 -0.02553 109 5XX -0.00046 -0.00065 -0.00039 0.00048 0.00039 110 5YY 0.00002 0.00011 -0.00030 -0.00168 -0.00013 111 5ZZ 0.00009 -0.00046 0.00003 0.00098 -0.00091 112 5XY -0.00055 0.00100 0.00055 0.00085 0.00108 113 5XZ -0.00022 0.00088 0.00037 -0.00015 0.00070 114 5YZ 0.00076 -0.00103 -0.00053 -0.00083 -0.00166 115 7 Br 1S -0.00056 -0.00018 -0.00036 -0.00082 0.00111 116 2S 0.00395 0.00131 0.00193 0.00375 -0.00814 117 3S -0.00497 -0.00168 -0.00161 -0.00224 0.01047 118 4S -0.00896 -0.00321 -0.00380 -0.00314 0.02119 119 5S 0.01165 -0.00275 0.00499 -0.00332 -0.01835 120 6S -0.00208 0.02044 -0.00358 0.00875 -0.02974 121 7PX -0.00511 -0.00114 -0.00294 0.00694 0.01385 122 7PY -0.00138 0.00092 -0.00047 0.00127 0.00352 123 7PZ -0.00316 -0.00030 -0.00081 0.00494 0.00866 124 8PX 0.01564 0.00369 0.00929 -0.01910 -0.04172 125 8PY 0.00446 -0.00280 0.00160 -0.00451 -0.01203 126 8PZ 0.00976 0.00123 0.00276 -0.01425 -0.02653 127 9PX -0.02919 -0.00663 -0.01701 0.03352 0.07676 128 9PY -0.00810 0.00510 -0.00295 0.00750 0.02250 129 9PZ -0.01831 -0.00245 -0.00530 0.02560 0.04951 130 10PX -0.02174 -0.01241 -0.01247 0.01895 0.06622 131 10PY -0.00470 0.00240 0.00150 0.00418 0.01306 132 10PZ -0.01694 -0.00211 -0.00462 0.02102 0.04724 133 11XX 0.00280 0.00098 0.00102 0.00185 -0.00560 134 11YY 0.00166 0.00059 0.00045 0.00173 -0.00272 135 11ZZ 0.00246 0.00076 0.00057 0.00083 -0.00492 136 11XY -0.00011 -0.00031 -0.00009 0.00110 0.00042 137 11XZ 0.00087 0.00028 0.00032 0.00008 -0.00222 138 11YZ 0.00031 -0.00014 0.00012 0.00004 -0.00079 139 12XX 0.00074 -0.00148 -0.00073 -0.00181 0.00281 140 12YY 0.00205 -0.00216 -0.00023 0.00035 0.00099 141 12ZZ 0.00137 -0.00246 0.00089 0.00059 0.00261 142 12XY -0.00074 0.00144 -0.00089 -0.00099 0.00112 143 12XZ -0.00098 -0.00076 -0.00043 -0.00164 0.00289 144 12YZ 0.00018 0.00064 -0.00017 -0.00120 -0.00133 145 8 Br 1S 0.00056 0.00018 -0.00036 -0.00082 -0.00111 146 2S -0.00394 -0.00131 0.00193 0.00375 0.00814 147 3S 0.00497 0.00168 -0.00161 -0.00224 -0.01047 148 4S 0.00896 0.00321 -0.00380 -0.00315 -0.02119 149 5S -0.01165 0.00275 0.00499 -0.00332 0.01835 150 6S 0.00208 -0.02044 -0.00358 0.00875 0.02975 151 7PX -0.00510 -0.00114 0.00294 -0.00694 0.01385 152 7PY -0.00138 0.00092 0.00047 -0.00127 0.00352 153 7PZ 0.00316 0.00030 -0.00081 0.00494 -0.00866 154 8PX 0.01564 0.00369 -0.00929 0.01910 -0.04171 155 8PY 0.00446 -0.00280 -0.00161 0.00451 -0.01204 156 8PZ -0.00976 -0.00123 0.00276 -0.01425 0.02653 157 9PX -0.02919 -0.00663 0.01701 -0.03352 0.07675 158 9PY -0.00810 0.00509 0.00296 -0.00751 0.02251 159 9PZ 0.01831 0.00245 -0.00530 0.02560 -0.04951 160 10PX -0.02174 -0.01241 0.01247 -0.01895 0.06622 161 10PY -0.00470 0.00240 -0.00150 -0.00418 0.01307 162 10PZ 0.01694 0.00211 -0.00462 0.02102 -0.04724 163 11XX -0.00280 -0.00098 0.00102 0.00185 0.00560 164 11YY -0.00166 -0.00059 0.00045 0.00173 0.00272 165 11ZZ -0.00246 -0.00076 0.00057 0.00083 0.00492 166 11XY 0.00011 0.00031 -0.00009 0.00110 -0.00042 167 11XZ 0.00087 0.00028 -0.00032 -0.00008 -0.00222 168 11YZ 0.00031 -0.00014 -0.00012 -0.00004 -0.00079 169 12XX -0.00074 0.00148 -0.00073 -0.00181 -0.00282 170 12YY -0.00205 0.00216 -0.00023 0.00035 -0.00099 171 12ZZ -0.00137 0.00246 0.00089 0.00059 -0.00262 172 12XY 0.00074 -0.00144 -0.00089 -0.00099 -0.00112 173 12XZ -0.00098 -0.00076 0.00043 0.00164 0.00289 174 12YZ 0.00018 0.00064 0.00017 0.00120 -0.00133 46 47 48 49 50 46 3PY 1.04423 47 3PZ 0.00001 0.94795 48 4S 0.00001 -0.06336 0.24976 49 4PX 0.05369 -0.00001 -0.00001 0.18563 50 4PY 0.52387 0.00001 0.00001 0.03834 0.26718 51 4PZ 0.00001 0.41825 -0.02679 -0.00001 0.00001 52 5XX 0.00000 -0.00427 -0.00077 0.00000 0.00000 53 5YY 0.00000 -0.01512 -0.00677 0.00000 0.00000 54 5ZZ 0.00000 0.04172 -0.00390 0.00000 0.00000 55 5XY 0.00000 -0.00599 -0.00345 0.00000 0.00000 56 5XZ -0.00610 0.00000 0.00000 0.01899 -0.00151 57 5YZ 0.03280 0.00000 0.00000 -0.00155 0.01588 58 4 Cl 1S 0.00000 -0.00536 0.00337 0.00000 0.00000 59 2S 0.00000 0.02492 -0.01364 0.00000 0.00000 60 2PX -0.00127 0.00000 0.00000 0.00174 0.00428 61 2PY 0.01460 0.00000 0.00000 0.00469 0.01168 62 2PZ 0.00000 -0.06645 -0.02389 0.00000 0.00000 63 3S 0.00000 -0.04977 0.01438 0.00000 0.00000 64 3PX 0.00449 -0.00001 0.00000 -0.01715 -0.00910 65 3PY -0.03449 0.00000 0.00000 -0.01033 -0.03791 66 3PZ 0.00000 0.18044 0.06407 -0.00001 0.00000 67 4S 0.00000 -0.06407 0.01825 0.00000 0.00000 68 4PX -0.01033 -0.00001 0.00000 -0.00716 -0.01035 69 4PY -0.03791 0.00000 0.00000 -0.01035 -0.02940 70 4PZ 0.00000 0.11378 0.02337 0.00000 0.00000 71 5XX 0.00000 -0.00645 0.00162 0.00000 0.00000 72 5YY 0.00000 -0.00089 0.00092 0.00000 0.00000 73 5ZZ 0.00000 0.00994 -0.00464 0.00000 0.00000 74 5XY 0.00000 0.00292 -0.00040 0.00000 0.00000 75 5XZ -0.00044 0.00000 0.00000 -0.00091 0.00004 76 5YZ -0.00364 0.00000 0.00000 0.00009 -0.00093 77 5 Cl 1S 0.00274 -0.00091 0.00134 0.00049 0.00071 78 2S -0.01258 0.00364 -0.00517 -0.00213 -0.00386 79 2PX 0.01896 -0.01233 -0.01593 -0.00628 0.01519 80 2PY -0.02174 0.01612 0.00070 0.00850 -0.01434 81 2PZ 0.01772 -0.00697 -0.01732 -0.01320 0.00992 82 3S 0.02646 -0.01132 0.00464 -0.00096 0.01278 83 3PX -0.04968 0.03210 0.05170 0.02089 -0.04291 84 3PY 0.05825 -0.04205 -0.00320 -0.02348 0.03480 85 3PZ -0.04831 0.01982 0.05031 0.03800 -0.02547 86 4S 0.03566 0.00821 0.00193 0.00536 0.01512 87 4PX -0.03583 0.02271 0.02339 0.01003 -0.02650 88 4PY 0.03593 -0.01361 -0.00049 -0.00923 0.01924 89 4PZ -0.02767 0.00897 0.02511 0.02252 -0.01378 90 5XX -0.00224 0.00061 -0.00022 -0.00025 -0.00113 91 5YY -0.00008 0.00006 0.00017 0.00001 0.00041 92 5ZZ -0.00181 -0.00043 0.00036 0.00041 -0.00104 93 5XY 0.00235 -0.00113 0.00213 0.00014 0.00042 94 5XZ -0.00245 0.00108 -0.00001 0.00015 -0.00127 95 5YZ 0.00258 -0.00133 0.00178 0.00025 0.00116 96 6 Cl 1S -0.00274 -0.00091 0.00134 -0.00049 -0.00071 97 2S 0.01258 0.00364 -0.00517 0.00213 0.00386 98 2PX 0.01896 0.01233 0.01593 -0.00629 0.01519 99 2PY -0.02173 -0.01612 -0.00070 0.00850 -0.01433 100 2PZ -0.01772 -0.00697 -0.01732 0.01320 -0.00991 101 3S -0.02646 -0.01132 0.00464 0.00096 -0.01278 102 3PX -0.04968 -0.03210 -0.05169 0.02090 -0.04291 103 3PY 0.05824 0.04204 0.00320 -0.02348 0.03479 104 3PZ 0.04830 0.01982 0.05032 -0.03800 0.02546 105 4S -0.03566 0.00821 0.00193 -0.00536 -0.01511 106 4PX -0.03583 -0.02271 -0.02339 0.01004 -0.02650 107 4PY 0.03592 0.01361 0.00049 -0.00923 0.01923 108 4PZ 0.02766 0.00897 0.02511 -0.02252 0.01377 109 5XX 0.00224 0.00061 -0.00022 0.00025 0.00113 110 5YY 0.00008 0.00006 0.00017 -0.00001 -0.00041 111 5ZZ 0.00181 -0.00043 0.00036 -0.00041 0.00104 112 5XY -0.00235 -0.00113 0.00213 -0.00014 -0.00042 113 5XZ -0.00245 -0.00108 0.00001 0.00015 -0.00127 114 5YZ 0.00258 0.00133 -0.00178 0.00025 0.00116 115 7 Br 1S 0.00033 0.00112 0.00592 0.00504 0.00181 116 2S -0.00253 -0.00633 -0.02800 -0.02518 -0.00976 117 3S 0.00330 0.00599 0.01823 0.01886 0.00852 118 4S 0.00750 0.01030 0.02703 0.03028 0.01462 119 5S 0.00872 -0.01658 0.00371 -0.00662 -0.00113 120 6S -0.05978 0.02441 0.00206 -0.00774 -0.02598 121 7PX 0.00298 0.00782 -0.00211 0.00437 0.00365 122 7PY -0.00250 0.00103 -0.00292 0.00140 -0.00053 123 7PZ 0.00084 0.00217 0.00466 0.00493 0.00016 124 8PX -0.01005 -0.02512 -0.01460 -0.02676 -0.00827 125 8PY 0.00746 -0.00411 0.01535 -0.00008 0.00229 126 8PZ -0.00416 -0.00808 -0.02371 -0.01952 0.00387 127 9PX 0.01874 0.04670 0.03462 0.05417 0.01383 128 9PY -0.01334 0.00817 -0.03083 -0.00163 -0.00437 129 9PZ 0.00917 0.01631 0.04688 0.03780 -0.00819 130 10PX 0.03074 0.03217 0.02443 0.04366 0.01785 131 10PY -0.00726 -0.00532 -0.02378 -0.00426 -0.00327 132 10PZ 0.00422 0.01083 0.03764 0.03320 -0.00823 133 11XX -0.00187 -0.00386 -0.00748 -0.00949 -0.00486 134 11YY -0.00082 -0.00246 -0.01417 -0.01181 -0.00381 135 11ZZ -0.00124 -0.00282 -0.01273 -0.01112 -0.00466 136 11XY 0.00079 0.00035 0.00030 0.00107 -0.00013 137 11XZ -0.00071 -0.00079 0.00150 -0.00071 -0.00122 138 11YZ 0.00039 -0.00027 0.00179 0.00093 -0.00037 139 12XX 0.00566 -0.00246 -0.00543 -0.00304 0.00064 140 12YY 0.00677 -0.00318 -0.00082 -0.00184 0.00133 141 12ZZ 0.00751 -0.00611 -0.00271 -0.00167 0.00187 142 12XY -0.00298 0.00200 0.00037 0.00026 -0.00161 143 12XZ 0.00253 0.00156 -0.00232 0.00068 0.00207 144 12YZ -0.00140 0.00029 -0.00192 -0.00124 -0.00026 145 8 Br 1S -0.00033 0.00112 0.00592 -0.00505 -0.00181 146 2S 0.00253 -0.00633 -0.02801 0.02518 0.00975 147 3S -0.00331 0.00600 0.01823 -0.01886 -0.00852 148 4S -0.00751 0.01030 0.02704 -0.03028 -0.01462 149 5S -0.00872 -0.01658 0.00371 0.00662 0.00113 150 6S 0.05977 0.02441 0.00207 0.00774 0.02597 151 7PX 0.00298 -0.00782 0.00211 0.00437 0.00365 152 7PY -0.00250 -0.00103 0.00292 0.00140 -0.00053 153 7PZ -0.00084 0.00217 0.00466 -0.00493 -0.00016 154 8PX -0.01005 0.02512 0.01460 -0.02676 -0.00827 155 8PY 0.00746 0.00411 -0.01534 -0.00008 0.00229 156 8PZ 0.00417 -0.00808 -0.02371 0.01952 -0.00387 157 9PX 0.01875 -0.04670 -0.03462 0.05416 0.01383 158 9PY -0.01333 -0.00817 0.03083 -0.00162 -0.00437 159 9PZ -0.00918 0.01631 0.04687 -0.03780 0.00819 160 10PX 0.03074 -0.03217 -0.02443 0.04366 0.01785 161 10PY -0.00725 0.00532 0.02378 -0.00426 -0.00326 162 10PZ -0.00422 0.01083 0.03764 -0.03321 0.00823 163 11XX 0.00187 -0.00386 -0.00748 0.00950 0.00485 164 11YY 0.00082 -0.00246 -0.01417 0.01181 0.00381 165 11ZZ 0.00124 -0.00282 -0.01273 0.01112 0.00466 166 11XY -0.00079 0.00035 0.00030 -0.00107 0.00013 167 11XZ -0.00071 0.00079 -0.00149 -0.00071 -0.00122 168 11YZ 0.00039 0.00027 -0.00179 0.00093 -0.00037 169 12XX -0.00566 -0.00246 -0.00543 0.00304 -0.00064 170 12YY -0.00677 -0.00318 -0.00082 0.00184 -0.00133 171 12ZZ -0.00750 -0.00611 -0.00271 0.00167 -0.00187 172 12XY 0.00298 0.00200 0.00037 -0.00026 0.00161 173 12XZ 0.00253 -0.00156 0.00232 0.00068 0.00207 174 12YZ -0.00140 -0.00029 0.00192 -0.00124 -0.00026 51 52 53 54 55 51 4PZ 0.18878 52 5XX -0.00169 0.00096 53 5YY -0.00632 0.00065 0.00132 54 5ZZ 0.01790 0.00023 -0.00009 0.00284 55 5XY -0.00258 0.00007 0.00015 -0.00019 0.00029 56 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 57 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4 Cl 1S -0.00132 -0.00004 0.00000 -0.00054 0.00001 59 2S 0.00710 0.00010 -0.00005 0.00223 -0.00005 60 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 61 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 62 2PZ -0.04468 -0.00225 -0.00014 0.00379 0.00109 63 3S -0.01862 0.00087 0.00133 -0.00419 0.00011 64 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 65 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 66 3PZ 0.11378 0.00645 0.00089 -0.00994 -0.00292 67 4S -0.02337 0.00162 0.00092 -0.00464 -0.00040 68 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 69 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 70 4PZ 0.06386 0.00258 -0.00015 -0.00269 -0.00140 71 5XX -0.00258 0.00003 0.00005 -0.00037 0.00008 72 5YY 0.00015 0.00005 0.00013 -0.00034 -0.00002 73 5ZZ 0.00269 -0.00037 -0.00034 0.00127 0.00001 74 5XY 0.00140 0.00008 -0.00002 0.00001 0.00002 75 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 5 Cl 1S -0.00013 -0.00006 0.00004 -0.00008 0.00000 78 2S 0.00032 0.00028 -0.00011 0.00034 -0.00007 79 2PX -0.01103 -0.00073 0.00198 -0.00054 -0.00089 80 2PY 0.00677 -0.00042 -0.00079 0.00113 0.00189 81 2PZ -0.00671 0.00079 0.00154 -0.00108 -0.00205 82 3S -0.00233 -0.00017 0.00044 -0.00063 0.00059 83 3PX 0.03090 0.00124 -0.00546 0.00117 0.00237 84 3PY -0.01714 0.00058 0.00197 -0.00325 -0.00479 85 3PZ 0.01543 -0.00198 -0.00418 0.00247 0.00536 86 4S 0.00358 -0.00003 -0.00042 0.00074 0.00115 87 4PX 0.01801 0.00053 -0.00285 0.00102 0.00119 88 4PY -0.00560 0.00023 0.00059 -0.00106 -0.00160 89 4PZ 0.00733 -0.00080 -0.00229 0.00119 0.00290 90 5XX 0.00014 -0.00004 0.00001 0.00005 0.00007 91 5YY 0.00008 0.00004 0.00000 -0.00004 -0.00033 92 5ZZ -0.00015 -0.00001 -0.00001 -0.00003 0.00009 93 5XY 0.00022 0.00009 -0.00016 -0.00012 0.00011 94 5XZ 0.00049 0.00000 0.00000 0.00002 -0.00003 95 5YZ -0.00039 -0.00011 -0.00010 0.00004 0.00019 96 6 Cl 1S -0.00013 -0.00006 0.00004 -0.00008 0.00000 97 2S 0.00032 0.00028 -0.00011 0.00034 -0.00007 98 2PX 0.01103 0.00073 -0.00197 0.00054 0.00090 99 2PY -0.00677 0.00042 0.00079 -0.00113 -0.00189 100 2PZ -0.00671 0.00079 0.00154 -0.00108 -0.00205 101 3S -0.00233 -0.00017 0.00044 -0.00063 0.00059 102 3PX -0.03090 -0.00124 0.00545 -0.00117 -0.00237 103 3PY 0.01714 -0.00059 -0.00197 0.00325 0.00479 104 3PZ 0.01544 -0.00198 -0.00418 0.00247 0.00536 105 4S 0.00358 -0.00003 -0.00042 0.00074 0.00115 106 4PX -0.01801 -0.00053 0.00285 -0.00102 -0.00120 107 4PY 0.00560 -0.00023 -0.00059 0.00106 0.00160 108 4PZ 0.00733 -0.00080 -0.00229 0.00119 0.00290 109 5XX 0.00014 -0.00004 0.00001 0.00005 0.00007 110 5YY 0.00008 0.00004 0.00000 -0.00004 -0.00033 111 5ZZ -0.00015 -0.00001 -0.00001 -0.00003 0.00009 112 5XY 0.00022 0.00009 -0.00016 -0.00012 0.00011 113 5XZ -0.00049 0.00000 0.00000 -0.00002 0.00003 114 5YZ 0.00039 0.00011 0.00010 -0.00004 -0.00019 115 7 Br 1S 0.00021 0.00009 -0.00050 -0.00019 0.00015 116 2S -0.00120 -0.00045 0.00243 0.00082 -0.00067 117 3S 0.00113 0.00036 -0.00169 -0.00043 0.00037 118 4S 0.00207 0.00064 -0.00265 -0.00058 0.00050 119 5S -0.00457 0.00024 0.00016 -0.00118 0.00051 120 6S 0.00834 -0.00217 0.00083 0.00181 -0.00041 121 7PX 0.00377 -0.00080 0.00090 0.00089 -0.00066 122 7PY -0.00007 -0.00062 0.00013 0.00009 0.00044 123 7PZ 0.00320 -0.00107 0.00037 0.00072 -0.00015 124 8PX -0.01543 0.00330 -0.00125 -0.00179 0.00179 125 8PY 0.00316 0.00089 -0.00092 -0.00074 -0.00116 126 8PZ -0.00706 0.00370 -0.00079 -0.00140 0.00061 127 9PX 0.02975 -0.00619 0.00176 0.00303 -0.00317 128 9PY -0.00674 -0.00124 0.00181 0.00151 0.00200 129 9PZ 0.01219 -0.00680 0.00130 0.00230 -0.00116 130 10PX 0.02174 -0.00422 0.00114 0.00202 -0.00234 131 10PY -0.00993 -0.00019 0.00121 0.00036 0.00185 132 10PZ 0.00875 -0.00564 0.00122 0.00179 -0.00112 133 11XX 0.00022 -0.00044 0.00087 0.00011 -0.00028 134 11YY -0.00128 -0.00010 0.00117 0.00045 -0.00025 135 11ZZ -0.00064 -0.00005 0.00100 0.00037 -0.00026 136 11XY 0.00000 -0.00010 0.00008 0.00002 0.00001 137 11XZ -0.00069 -0.00009 -0.00001 -0.00006 0.00000 138 11YZ -0.00003 -0.00014 -0.00009 -0.00010 -0.00001 139 12XX -0.00113 0.00045 0.00001 -0.00002 0.00016 140 12YY -0.00001 0.00010 0.00013 -0.00014 -0.00019 141 12ZZ -0.00183 0.00008 0.00033 -0.00027 0.00000 142 12XY 0.00092 0.00020 -0.00024 0.00009 -0.00008 143 12XZ 0.00051 0.00033 -0.00009 -0.00005 0.00004 144 12YZ -0.00005 0.00026 -0.00004 -0.00007 0.00001 145 8 Br 1S 0.00021 0.00009 -0.00050 -0.00019 0.00015 146 2S -0.00120 -0.00045 0.00243 0.00082 -0.00067 147 3S 0.00113 0.00036 -0.00169 -0.00043 0.00037 148 4S 0.00207 0.00064 -0.00265 -0.00058 0.00050 149 5S -0.00457 0.00024 0.00016 -0.00118 0.00051 150 6S 0.00834 -0.00217 0.00083 0.00181 -0.00041 151 7PX -0.00377 0.00080 -0.00090 -0.00089 0.00066 152 7PY 0.00007 0.00062 -0.00013 -0.00009 -0.00044 153 7PZ 0.00320 -0.00107 0.00037 0.00072 -0.00015 154 8PX 0.01543 -0.00330 0.00125 0.00179 -0.00179 155 8PY -0.00316 -0.00089 0.00092 0.00074 0.00115 156 8PZ -0.00706 0.00370 -0.00079 -0.00140 0.00061 157 9PX -0.02975 0.00619 -0.00176 -0.00303 0.00317 158 9PY 0.00674 0.00125 -0.00181 -0.00151 -0.00200 159 9PZ 0.01219 -0.00680 0.00130 0.00230 -0.00116 160 10PX -0.02174 0.00422 -0.00114 -0.00202 0.00234 161 10PY 0.00993 0.00019 -0.00121 -0.00036 -0.00185 162 10PZ 0.00875 -0.00564 0.00122 0.00179 -0.00112 163 11XX 0.00022 -0.00044 0.00087 0.00011 -0.00028 164 11YY -0.00128 -0.00010 0.00117 0.00045 -0.00025 165 11ZZ -0.00064 -0.00005 0.00100 0.00037 -0.00026 166 11XY 0.00000 -0.00010 0.00008 0.00002 0.00001 167 11XZ 0.00069 0.00009 0.00001 0.00006 0.00000 168 11YZ 0.00003 0.00014 0.00009 0.00010 0.00001 169 12XX -0.00113 0.00045 0.00001 -0.00002 0.00016 170 12YY -0.00001 0.00010 0.00013 -0.00014 -0.00019 171 12ZZ -0.00183 0.00008 0.00033 -0.00027 0.00000 172 12XY 0.00092 0.00020 -0.00024 0.00009 -0.00008 173 12XZ -0.00051 -0.00033 0.00009 0.00005 -0.00004 174 12YZ 0.00005 -0.00026 0.00004 0.00007 -0.00001 56 57 58 59 60 56 5XZ 0.00260 57 5YZ -0.00062 0.00127 58 4 Cl 1S 0.00000 0.00000 2.16061 59 2S 0.00000 0.00000 -0.61774 2.38929 60 2PX -0.00126 -0.00012 0.00000 0.00000 2.10576 61 2PY -0.00012 -0.00155 0.00000 0.00000 0.00753 62 2PZ 0.00000 0.00000 -0.00371 0.01575 0.00000 63 3S 0.00000 0.00000 0.04673 -0.44070 0.00000 64 3PX 0.00250 0.00045 0.00000 0.00000 -0.30523 65 3PY 0.00044 0.00364 0.00000 0.00000 -0.02004 66 3PZ 0.00000 0.00000 0.00990 -0.04259 0.00000 67 4S 0.00000 0.00000 0.07339 -0.30496 -0.00001 68 4PX 0.00091 -0.00009 0.00000 0.00000 -0.18815 69 4PY -0.00004 0.00093 0.00000 0.00000 -0.01765 70 4PZ 0.00000 0.00000 0.00360 -0.01729 0.00001 71 5XX 0.00000 0.00000 0.02378 -0.03103 0.00000 72 5YY 0.00000 0.00000 0.02213 -0.02332 0.00000 73 5ZZ 0.00000 0.00000 0.02336 -0.02922 0.00000 74 5XY 0.00000 0.00000 -0.00091 0.00425 0.00000 75 5XZ -0.00060 0.00009 0.00000 0.00000 0.01732 76 5YZ 0.00009 -0.00039 0.00000 0.00000 -0.00232 77 5 Cl 1S -0.00008 0.00012 -0.00004 0.00012 0.00054 78 2S 0.00033 -0.00060 0.00012 -0.00032 -0.00198 79 2PX 0.00050 -0.00150 -0.00085 0.00388 0.00219 80 2PY -0.00056 0.00096 0.00107 -0.00434 -0.00745 81 2PZ -0.00019 -0.00041 0.00113 -0.00515 -0.00516 82 3S -0.00127 0.00166 -0.00045 0.00177 0.00640 83 3PX -0.00107 0.00362 0.00222 -0.01065 -0.00586 84 3PY 0.00100 -0.00229 -0.00261 0.01060 0.01910 85 3PZ 0.00062 0.00107 -0.00291 0.01355 0.01350 86 4S -0.00023 0.00256 0.00140 -0.00541 -0.00696 87 4PX -0.00033 0.00142 0.00040 -0.00233 -0.00152 88 4PY 0.00012 -0.00009 -0.00056 0.00224 0.00593 89 4PZ 0.00074 0.00049 -0.00131 0.00634 0.00868 90 5XX -0.00010 -0.00004 0.00002 -0.00002 0.00046 91 5YY 0.00033 -0.00032 -0.00013 0.00052 -0.00002 92 5ZZ -0.00005 0.00001 0.00005 -0.00018 -0.00009 93 5XY -0.00017 0.00030 0.00005 -0.00026 0.00055 94 5XZ 0.00005 -0.00008 0.00000 0.00005 0.00022 95 5YZ -0.00015 0.00017 -0.00006 0.00029 -0.00076 96 6 Cl 1S 0.00008 -0.00012 -0.00004 0.00012 -0.00054 97 2S -0.00033 0.00060 0.00012 -0.00032 0.00198 98 2PX 0.00050 -0.00150 0.00085 -0.00388 0.00219 99 2PY -0.00056 0.00095 -0.00107 0.00434 -0.00745 100 2PZ 0.00019 0.00041 0.00113 -0.00515 0.00516 101 3S 0.00127 -0.00166 -0.00045 0.00177 -0.00640 102 3PX -0.00107 0.00362 -0.00222 0.01065 -0.00586 103 3PY 0.00100 -0.00229 0.00261 -0.01060 0.01910 104 3PZ -0.00062 -0.00107 -0.00291 0.01355 -0.01350 105 4S 0.00023 -0.00256 0.00140 -0.00541 0.00697 106 4PX -0.00033 0.00142 -0.00040 0.00233 -0.00152 107 4PY 0.00012 -0.00009 0.00056 -0.00224 0.00593 108 4PZ -0.00074 -0.00049 -0.00131 0.00634 -0.00869 109 5XX 0.00010 0.00004 0.00002 -0.00002 -0.00046 110 5YY -0.00033 0.00032 -0.00013 0.00052 0.00002 111 5ZZ 0.00005 -0.00001 0.00005 -0.00018 0.00009 112 5XY 0.00017 -0.00030 0.00005 -0.00026 -0.00055 113 5XZ 0.00005 -0.00008 0.00000 -0.00005 0.00022 114 5YZ -0.00015 0.00017 0.00006 -0.00029 -0.00076 115 7 Br 1S 0.00036 0.00011 -0.00001 -0.00029 -0.00056 116 2S -0.00192 -0.00054 -0.00005 0.00161 0.00394 117 3S 0.00163 0.00041 0.00018 -0.00151 -0.00497 118 4S 0.00285 0.00073 0.00019 -0.00208 -0.00896 119 5S -0.00114 0.00073 -0.00094 0.00383 0.01165 120 6S -0.00278 -0.00326 0.00260 -0.00987 -0.00209 121 7PX -0.00100 -0.00035 0.00058 -0.00212 -0.00511 122 7PY 0.00006 0.00011 0.00009 -0.00034 -0.00138 123 7PZ -0.00009 -0.00013 -0.00046 0.00195 0.00316 124 8PX 0.00221 0.00101 -0.00175 0.00740 0.01564 125 8PY -0.00021 -0.00031 -0.00029 0.00073 0.00446 126 8PZ 0.00016 0.00053 0.00139 -0.00638 -0.00976 127 9PX -0.00357 -0.00184 0.00321 -0.01398 -0.02919 128 9PY 0.00047 0.00051 0.00040 -0.00065 -0.00810 129 9PZ -0.00020 -0.00098 -0.00258 0.01196 0.01831 130 10PX -0.00197 -0.00076 0.00127 -0.00579 -0.02174 131 10PY 0.00073 0.00086 0.00025 -0.00029 -0.00470 132 10PZ 0.00016 -0.00103 -0.00185 0.00885 0.01694 133 11XX -0.00099 -0.00024 -0.00008 0.00051 0.00280 134 11YY -0.00082 -0.00020 -0.00012 0.00098 0.00166 135 11ZZ -0.00078 -0.00024 -0.00018 0.00119 0.00246 136 11XY -0.00015 0.00004 0.00009 -0.00036 -0.00011 137 11XZ -0.00009 -0.00001 -0.00001 0.00008 -0.00087 138 11YZ -0.00003 0.00001 -0.00001 0.00013 -0.00031 139 12XX 0.00051 0.00040 -0.00042 0.00177 0.00074 140 12YY -0.00009 0.00025 -0.00034 0.00134 0.00205 141 12ZZ -0.00012 0.00037 -0.00036 0.00147 0.00137 142 12XY 0.00043 -0.00018 -0.00004 0.00009 -0.00074 143 12XZ 0.00021 0.00009 0.00019 -0.00075 0.00098 144 12YZ 0.00004 -0.00001 0.00005 -0.00033 -0.00018 145 8 Br 1S -0.00036 -0.00011 -0.00001 -0.00029 0.00056 146 2S 0.00192 0.00054 -0.00005 0.00161 -0.00395 147 3S -0.00163 -0.00041 0.00018 -0.00151 0.00497 148 4S -0.00285 -0.00073 0.00019 -0.00208 0.00896 149 5S 0.00114 -0.00073 -0.00094 0.00383 -0.01165 150 6S 0.00278 0.00326 0.00260 -0.00987 0.00208 151 7PX -0.00100 -0.00035 -0.00058 0.00212 -0.00510 152 7PY 0.00006 0.00011 -0.00009 0.00034 -0.00138 153 7PZ 0.00009 0.00013 -0.00046 0.00195 -0.00316 154 8PX 0.00221 0.00101 0.00175 -0.00740 0.01564 155 8PY -0.00021 -0.00031 0.00029 -0.00073 0.00446 156 8PZ -0.00016 -0.00053 0.00139 -0.00638 0.00976 157 9PX -0.00357 -0.00184 -0.00320 0.01398 -0.02919 158 9PY 0.00047 0.00051 -0.00040 0.00065 -0.00810 159 9PZ 0.00020 0.00098 -0.00258 0.01196 -0.01831 160 10PX -0.00197 -0.00076 -0.00127 0.00579 -0.02174 161 10PY 0.00073 0.00086 -0.00025 0.00029 -0.00470 162 10PZ -0.00016 0.00103 -0.00185 0.00885 -0.01694 163 11XX 0.00099 0.00024 -0.00008 0.00051 -0.00280 164 11YY 0.00082 0.00020 -0.00012 0.00098 -0.00166 165 11ZZ 0.00078 0.00024 -0.00018 0.00119 -0.00246 166 11XY 0.00015 -0.00004 0.00009 -0.00036 0.00011 167 11XZ -0.00009 -0.00001 0.00001 -0.00008 -0.00087 168 11YZ -0.00003 0.00001 0.00001 -0.00013 -0.00031 169 12XX -0.00051 -0.00040 -0.00042 0.00177 -0.00074 170 12YY 0.00009 -0.00025 -0.00034 0.00134 -0.00205 171 12ZZ 0.00012 -0.00037 -0.00036 0.00147 -0.00137 172 12XY -0.00043 0.00018 -0.00004 0.00009 0.00074 173 12XZ 0.00021 0.00009 -0.00019 0.00075 0.00098 174 12YZ 0.00004 -0.00001 -0.00005 0.00033 -0.00018 61 62 63 64 65 61 2PY 2.12181 62 2PZ 0.00000 2.10827 63 3S 0.00000 -0.04386 1.20754 64 3PX -0.02006 0.00000 0.00001 0.93677 65 3PY -0.34789 0.00000 0.00000 0.05074 1.04423 66 3PZ 0.00000 -0.31168 0.11153 -0.00001 0.00000 67 4S 0.00000 -0.02270 0.52020 0.00003 -0.00001 68 4PX -0.01750 0.00001 0.00001 0.40910 0.05369 69 4PY -0.22507 0.00000 0.00000 0.05416 0.52387 70 4PZ 0.00000 -0.18312 0.06223 -0.00002 0.00000 71 5XX 0.00000 -0.00195 -0.00493 -0.00001 0.00000 72 5YY 0.00000 -0.00602 -0.01976 0.00000 0.00000 73 5ZZ 0.00000 0.01536 -0.01010 0.00000 0.00000 74 5XY 0.00000 -0.00227 -0.00828 0.00000 0.00000 75 5XZ -0.00233 0.00000 0.00000 -0.04548 0.00610 76 5YZ 0.01244 0.00000 0.00000 0.00607 -0.03280 77 5 Cl 1S -0.00106 -0.00039 -0.00042 -0.00137 0.00274 78 2S 0.00466 0.00162 0.00153 0.00558 -0.01258 79 2PX -0.00713 -0.00454 -0.00842 -0.00584 0.01896 80 2PY 0.00812 0.00603 0.01231 0.01979 -0.02174 81 2PZ 0.00640 0.00243 0.01150 0.01359 -0.01772 82 3S -0.01103 -0.00451 -0.00241 -0.01462 0.02646 83 3PX 0.01878 0.01179 0.02069 0.01492 -0.04968 84 3PY -0.02139 -0.01543 -0.03021 -0.05070 0.05825 85 3PZ -0.01721 -0.00661 -0.02894 -0.03476 0.04830 86 4S -0.00899 0.00236 0.00753 0.00751 0.03566 87 4PX 0.01260 0.00842 0.00656 0.00803 -0.03583 88 4PY -0.01324 -0.00554 -0.00869 -0.02042 0.03593 89 4PZ -0.01052 -0.00405 -0.01518 -0.02553 0.02767 90 5XX 0.00065 0.00039 0.00048 -0.00039 -0.00224 91 5YY -0.00011 0.00030 -0.00168 0.00013 -0.00008 92 5ZZ 0.00046 -0.00003 0.00098 0.00091 -0.00181 93 5XY -0.00100 -0.00055 0.00085 -0.00108 0.00235 94 5XZ -0.00088 -0.00037 -0.00015 -0.00070 0.00245 95 5YZ 0.00103 0.00053 -0.00083 0.00166 -0.00258 96 6 Cl 1S 0.00106 -0.00039 -0.00042 0.00137 -0.00274 97 2S -0.00466 0.00162 0.00153 -0.00558 0.01258 98 2PX -0.00713 0.00454 0.00842 -0.00584 0.01896 99 2PY 0.00812 -0.00603 -0.01231 0.01979 -0.02173 100 2PZ -0.00640 0.00243 0.01150 -0.01360 0.01772 101 3S 0.01103 -0.00451 -0.00241 0.01462 -0.02646 102 3PX 0.01879 -0.01179 -0.02070 0.01493 -0.04969 103 3PY -0.02139 0.01543 0.03021 -0.05070 0.05824 104 3PZ 0.01721 -0.00661 -0.02894 0.03476 -0.04830 105 4S 0.00899 0.00236 0.00752 -0.00752 -0.03566 106 4PX 0.01261 -0.00843 -0.00656 0.00803 -0.03583 107 4PY -0.01324 0.00553 0.00869 -0.02042 0.03592 108 4PZ 0.01052 -0.00405 -0.01518 0.02553 -0.02767 109 5XX -0.00065 0.00039 0.00048 0.00039 0.00224 110 5YY 0.00011 0.00030 -0.00168 -0.00013 0.00008 111 5ZZ -0.00046 -0.00003 0.00098 -0.00091 0.00181 112 5XY 0.00100 -0.00055 0.00085 0.00108 -0.00235 113 5XZ -0.00088 0.00037 0.00015 -0.00070 0.00245 114 5YZ 0.00103 -0.00053 0.00083 0.00166 -0.00258 115 7 Br 1S -0.00018 0.00036 -0.00082 0.00111 0.00033 116 2S 0.00131 -0.00193 0.00375 -0.00814 -0.00253 117 3S -0.00168 0.00161 -0.00224 0.01047 0.00330 118 4S -0.00321 0.00380 -0.00314 0.02119 0.00750 119 5S -0.00275 -0.00499 -0.00332 -0.01835 0.00872 120 6S 0.02044 0.00358 0.00875 -0.02974 -0.05977 121 7PX -0.00114 0.00294 0.00694 0.01385 0.00298 122 7PY 0.00092 0.00047 0.00127 0.00352 -0.00250 123 7PZ 0.00030 -0.00081 -0.00494 -0.00866 -0.00084 124 8PX 0.00369 -0.00929 -0.01910 -0.04172 -0.01005 125 8PY -0.00280 -0.00160 -0.00451 -0.01203 0.00746 126 8PZ -0.00123 0.00276 0.01425 0.02653 0.00416 127 9PX -0.00663 0.01701 0.03352 0.07676 0.01874 128 9PY 0.00510 0.00295 0.00750 0.02250 -0.01334 129 9PZ 0.00245 -0.00530 -0.02559 -0.04951 -0.00917 130 10PX -0.01241 0.01247 0.01895 0.06622 0.03073 131 10PY 0.00240 -0.00150 0.00418 0.01306 -0.00726 132 10PZ 0.00211 -0.00462 -0.02102 -0.04724 -0.00422 133 11XX 0.00098 -0.00102 0.00185 -0.00560 -0.00187 134 11YY 0.00059 -0.00045 0.00173 -0.00272 -0.00082 135 11ZZ 0.00076 -0.00057 0.00083 -0.00492 -0.00124 136 11XY -0.00031 0.00009 0.00110 0.00042 0.00079 137 11XZ -0.00028 0.00032 -0.00008 0.00222 0.00071 138 11YZ 0.00014 0.00012 -0.00004 0.00079 -0.00039 139 12XX -0.00148 0.00073 -0.00181 0.00281 0.00566 140 12YY -0.00216 0.00023 0.00035 0.00099 0.00677 141 12ZZ -0.00246 -0.00089 0.00059 0.00261 0.00750 142 12XY 0.00144 0.00089 -0.00099 0.00112 -0.00298 143 12XZ 0.00076 -0.00043 0.00164 -0.00289 -0.00253 144 12YZ -0.00064 -0.00017 0.00120 0.00133 0.00140 145 8 Br 1S 0.00018 0.00036 -0.00082 -0.00111 -0.00033 146 2S -0.00131 -0.00193 0.00375 0.00814 0.00253 147 3S 0.00168 0.00161 -0.00224 -0.01047 -0.00330 148 4S 0.00321 0.00380 -0.00315 -0.02119 -0.00751 149 5S 0.00275 -0.00499 -0.00332 0.01834 -0.00872 150 6S -0.02044 0.00358 0.00875 0.02975 0.05978 151 7PX -0.00114 -0.00294 -0.00694 0.01385 0.00298 152 7PY 0.00092 -0.00047 -0.00127 0.00352 -0.00250 153 7PZ -0.00030 -0.00081 -0.00494 0.00866 0.00084 154 8PX 0.00370 0.00929 0.01909 -0.04171 -0.01006 155 8PY -0.00280 0.00161 0.00451 -0.01204 0.00746 156 8PZ 0.00123 0.00276 0.01425 -0.02653 -0.00417 157 9PX -0.00663 -0.01701 -0.03352 0.07675 0.01875 158 9PY 0.00509 -0.00296 -0.00751 0.02251 -0.01334 159 9PZ -0.00245 -0.00530 -0.02560 0.04951 0.00918 160 10PX -0.01242 -0.01247 -0.01895 0.06622 0.03074 161 10PY 0.00240 0.00150 -0.00418 0.01307 -0.00725 162 10PZ -0.00211 -0.00462 -0.02102 0.04724 0.00422 163 11XX -0.00098 -0.00102 0.00185 0.00560 0.00187 164 11YY -0.00059 -0.00045 0.00173 0.00272 0.00082 165 11ZZ -0.00076 -0.00057 0.00083 0.00492 0.00124 166 11XY 0.00031 0.00009 0.00110 -0.00042 -0.00079 167 11XZ -0.00028 -0.00032 0.00008 0.00222 0.00071 168 11YZ 0.00014 -0.00012 0.00004 0.00079 -0.00039 169 12XX 0.00148 0.00073 -0.00181 -0.00282 -0.00566 170 12YY 0.00216 0.00023 0.00035 -0.00099 -0.00677 171 12ZZ 0.00246 -0.00089 0.00059 -0.00262 -0.00751 172 12XY -0.00144 0.00089 -0.00099 -0.00112 0.00298 173 12XZ 0.00076 0.00043 -0.00164 -0.00289 -0.00253 174 12YZ -0.00064 0.00017 -0.00120 0.00133 0.00140 66 67 68 69 70 66 3PZ 0.94794 67 4S 0.06336 0.24976 68 4PX -0.00002 0.00001 0.18563 69 4PY 0.00000 0.00000 0.03834 0.26718 70 4PZ 0.41825 0.02678 -0.00002 0.00000 0.18878 71 5XX 0.00427 -0.00077 0.00000 0.00000 0.00169 72 5YY 0.01512 -0.00677 0.00000 0.00000 0.00632 73 5ZZ -0.04172 -0.00390 0.00000 0.00000 -0.01790 74 5XY 0.00599 -0.00345 0.00000 0.00000 0.00258 75 5XZ 0.00000 0.00000 -0.01899 0.00151 0.00000 76 5YZ 0.00000 0.00000 0.00155 -0.01588 0.00000 77 5 Cl 1S 0.00091 0.00134 0.00049 0.00071 0.00013 78 2S -0.00364 -0.00517 -0.00213 -0.00386 -0.00032 79 2PX 0.01233 -0.01593 -0.00628 0.01519 0.01103 80 2PY -0.01612 0.00070 0.00850 -0.01433 -0.00677 81 2PZ -0.00697 0.01732 0.01320 -0.00991 -0.00671 82 3S 0.01132 0.00464 -0.00096 0.01278 0.00233 83 3PX -0.03210 0.05169 0.02089 -0.04291 -0.03090 84 3PY 0.04205 -0.00320 -0.02348 0.03480 0.01714 85 3PZ 0.01982 -0.05031 -0.03800 0.02547 0.01544 86 4S -0.00821 0.00193 0.00536 0.01511 -0.00358 87 4PX -0.02271 0.02339 0.01003 -0.02649 -0.01801 88 4PY 0.01361 -0.00049 -0.00923 0.01923 0.00560 89 4PZ 0.00897 -0.02511 -0.02252 0.01377 0.00733 90 5XX -0.00061 -0.00022 -0.00025 -0.00113 -0.00014 91 5YY -0.00006 0.00017 0.00001 0.00041 -0.00008 92 5ZZ 0.00043 0.00036 0.00041 -0.00104 0.00015 93 5XY 0.00113 0.00213 0.00014 0.00042 -0.00022 94 5XZ 0.00108 0.00001 -0.00015 0.00127 0.00049 95 5YZ -0.00133 -0.00178 -0.00025 -0.00116 -0.00039 96 6 Cl 1S 0.00091 0.00134 -0.00049 -0.00071 0.00013 97 2S -0.00364 -0.00517 0.00213 0.00386 -0.00032 98 2PX -0.01233 0.01593 -0.00629 0.01519 -0.01103 99 2PY 0.01612 -0.00070 0.00850 -0.01433 0.00677 100 2PZ -0.00697 0.01732 -0.01320 0.00991 -0.00671 101 3S 0.01132 0.00464 0.00096 -0.01278 0.00233 102 3PX 0.03210 -0.05170 0.02090 -0.04291 0.03090 103 3PY -0.04204 0.00319 -0.02348 0.03479 -0.01713 104 3PZ 0.01983 -0.05032 0.03800 -0.02547 0.01544 105 4S -0.00821 0.00193 -0.00536 -0.01512 -0.00358 106 4PX 0.02271 -0.02339 0.01004 -0.02650 0.01801 107 4PY -0.01361 0.00048 -0.00923 0.01923 -0.00560 108 4PZ 0.00898 -0.02511 0.02252 -0.01377 0.00733 109 5XX -0.00061 -0.00022 0.00025 0.00113 -0.00014 110 5YY -0.00006 0.00017 -0.00001 -0.00041 -0.00008 111 5ZZ 0.00043 0.00036 -0.00041 0.00104 0.00015 112 5XY 0.00113 0.00213 -0.00014 -0.00042 -0.00022 113 5XZ -0.00108 -0.00001 -0.00015 0.00127 -0.00049 114 5YZ 0.00133 0.00178 -0.00025 -0.00116 0.00039 115 7 Br 1S -0.00112 0.00592 0.00504 0.00181 -0.00021 116 2S 0.00633 -0.02800 -0.02518 -0.00975 0.00120 117 3S -0.00599 0.01823 0.01886 0.00852 -0.00113 118 4S -0.01030 0.02704 0.03028 0.01461 -0.00207 119 5S 0.01658 0.00371 -0.00662 -0.00113 0.00457 120 6S -0.02441 0.00207 -0.00774 -0.02598 -0.00834 121 7PX -0.00782 -0.00211 0.00437 0.00365 -0.00377 122 7PY -0.00103 -0.00292 0.00140 -0.00053 0.00007 123 7PZ 0.00217 -0.00466 -0.00493 -0.00016 0.00320 124 8PX 0.02512 -0.01460 -0.02676 -0.00826 0.01543 125 8PY 0.00411 0.01534 -0.00008 0.00229 -0.00316 126 8PZ -0.00808 0.02371 0.01952 -0.00387 -0.00706 127 9PX -0.04670 0.03462 0.05416 0.01382 -0.02975 128 9PY -0.00817 -0.03083 -0.00163 -0.00437 0.00674 129 9PZ 0.01631 -0.04688 -0.03780 0.00819 0.01219 130 10PX -0.03217 0.02443 0.04366 0.01785 -0.02174 131 10PY 0.00532 -0.02378 -0.00426 -0.00327 0.00993 132 10PZ 0.01083 -0.03764 -0.03320 0.00823 0.00875 133 11XX 0.00386 -0.00748 -0.00949 -0.00485 -0.00022 134 11YY 0.00246 -0.01417 -0.01181 -0.00381 0.00128 135 11ZZ 0.00282 -0.01273 -0.01112 -0.00466 0.00064 136 11XY -0.00035 0.00030 0.00107 -0.00013 0.00000 137 11XZ -0.00079 -0.00150 0.00071 0.00122 -0.00069 138 11YZ -0.00027 -0.00179 -0.00093 0.00037 -0.00003 139 12XX 0.00246 -0.00543 -0.00304 0.00064 0.00113 140 12YY 0.00318 -0.00082 -0.00184 0.00133 0.00001 141 12ZZ 0.00611 -0.00271 -0.00167 0.00187 0.00183 142 12XY -0.00200 0.00037 0.00026 -0.00161 -0.00092 143 12XZ 0.00156 0.00232 -0.00068 -0.00207 0.00051 144 12YZ 0.00029 0.00192 0.00124 0.00026 -0.00005 145 8 Br 1S -0.00112 0.00592 -0.00505 -0.00181 -0.00021 146 2S 0.00633 -0.02801 0.02518 0.00976 0.00120 147 3S -0.00599 0.01823 -0.01886 -0.00852 -0.00113 148 4S -0.01030 0.02704 -0.03028 -0.01462 -0.00207 149 5S 0.01658 0.00371 0.00662 0.00113 0.00457 150 6S -0.02441 0.00207 0.00775 0.02598 -0.00834 151 7PX 0.00782 0.00211 0.00437 0.00365 0.00377 152 7PY 0.00103 0.00292 0.00140 -0.00053 -0.00007 153 7PZ 0.00217 -0.00466 0.00493 0.00016 0.00320 154 8PX -0.02512 0.01460 -0.02676 -0.00827 -0.01543 155 8PY -0.00411 -0.01534 -0.00008 0.00229 0.00316 156 8PZ -0.00808 0.02371 -0.01953 0.00386 -0.00706 157 9PX 0.04670 -0.03462 0.05416 0.01383 0.02975 158 9PY 0.00817 0.03083 -0.00162 -0.00437 -0.00674 159 9PZ 0.01631 -0.04687 0.03780 -0.00819 0.01219 160 10PX 0.03217 -0.02443 0.04366 0.01786 0.02174 161 10PY -0.00532 0.02378 -0.00425 -0.00326 -0.00993 162 10PZ 0.01083 -0.03764 0.03321 -0.00822 0.00875 163 11XX 0.00386 -0.00748 0.00949 0.00486 -0.00022 164 11YY 0.00246 -0.01417 0.01181 0.00381 0.00128 165 11ZZ 0.00282 -0.01273 0.01112 0.00466 0.00064 166 11XY -0.00035 0.00030 -0.00107 0.00013 0.00000 167 11XZ 0.00079 0.00150 0.00071 0.00122 0.00069 168 11YZ 0.00027 0.00179 -0.00093 0.00037 0.00003 169 12XX 0.00246 -0.00543 0.00304 -0.00064 0.00113 170 12YY 0.00318 -0.00082 0.00184 -0.00133 0.00001 171 12ZZ 0.00611 -0.00271 0.00167 -0.00187 0.00183 172 12XY -0.00200 0.00037 -0.00026 0.00161 -0.00092 173 12XZ -0.00156 -0.00232 -0.00068 -0.00207 -0.00051 174 12YZ -0.00029 -0.00192 0.00124 0.00026 0.00005 71 72 73 74 75 71 5XX 0.00096 72 5YY 0.00065 0.00132 73 5ZZ 0.00023 -0.00009 0.00284 74 5XY 0.00007 0.00015 -0.00019 0.00029 75 5XZ 0.00000 0.00000 0.00000 0.00000 0.00260 76 5YZ 0.00000 0.00000 0.00000 0.00000 -0.00062 77 5 Cl 1S -0.00006 0.00004 -0.00008 0.00000 0.00008 78 2S 0.00028 -0.00011 0.00034 -0.00007 -0.00033 79 2PX -0.00073 0.00197 -0.00054 -0.00090 -0.00050 80 2PY -0.00042 -0.00079 0.00113 0.00189 0.00056 81 2PZ -0.00079 -0.00154 0.00108 0.00205 -0.00019 82 3S -0.00017 0.00044 -0.00063 0.00059 0.00127 83 3PX 0.00124 -0.00545 0.00117 0.00237 0.00107 84 3PY 0.00058 0.00197 -0.00325 -0.00479 -0.00100 85 3PZ 0.00198 0.00418 -0.00247 -0.00536 0.00062 86 4S -0.00003 -0.00042 0.00074 0.00115 0.00023 87 4PX 0.00053 -0.00285 0.00102 0.00120 0.00033 88 4PY 0.00023 0.00059 -0.00106 -0.00160 -0.00012 89 4PZ 0.00080 0.00229 -0.00119 -0.00290 0.00074 90 5XX -0.00004 0.00001 0.00005 0.00007 0.00010 91 5YY 0.00004 0.00000 -0.00004 -0.00033 -0.00033 92 5ZZ -0.00001 -0.00001 -0.00003 0.00009 0.00005 93 5XY 0.00009 -0.00016 -0.00012 0.00011 0.00017 94 5XZ 0.00000 0.00000 -0.00002 0.00003 0.00005 95 5YZ 0.00011 0.00010 -0.00004 -0.00019 -0.00015 96 6 Cl 1S -0.00006 0.00004 -0.00008 0.00000 -0.00008 97 2S 0.00028 -0.00011 0.00034 -0.00007 0.00033 98 2PX 0.00073 -0.00197 0.00054 0.00090 -0.00050 99 2PY 0.00042 0.00079 -0.00113 -0.00189 0.00056 100 2PZ -0.00079 -0.00154 0.00108 0.00205 0.00019 101 3S -0.00017 0.00044 -0.00063 0.00059 -0.00127 102 3PX -0.00124 0.00546 -0.00117 -0.00237 0.00107 103 3PY -0.00059 -0.00197 0.00325 0.00479 -0.00100 104 3PZ 0.00198 0.00418 -0.00247 -0.00536 -0.00062 105 4S -0.00003 -0.00042 0.00074 0.00115 -0.00023 106 4PX -0.00053 0.00285 -0.00102 -0.00120 0.00033 107 4PY -0.00023 -0.00059 0.00106 0.00160 -0.00012 108 4PZ 0.00080 0.00229 -0.00119 -0.00290 -0.00074 109 5XX -0.00004 0.00001 0.00005 0.00007 -0.00010 110 5YY 0.00004 0.00000 -0.00004 -0.00033 0.00033 111 5ZZ -0.00001 -0.00001 -0.00003 0.00009 -0.00005 112 5XY 0.00009 -0.00016 -0.00012 0.00011 -0.00017 113 5XZ 0.00000 0.00000 0.00002 -0.00003 0.00005 114 5YZ -0.00011 -0.00010 0.00004 0.00019 -0.00015 115 7 Br 1S 0.00009 -0.00050 -0.00019 0.00015 -0.00036 116 2S -0.00045 0.00243 0.00082 -0.00067 0.00192 117 3S 0.00036 -0.00169 -0.00043 0.00037 -0.00163 118 4S 0.00064 -0.00265 -0.00058 0.00050 -0.00285 119 5S 0.00024 0.00016 -0.00118 0.00051 0.00114 120 6S -0.00216 0.00083 0.00181 -0.00041 0.00278 121 7PX -0.00080 0.00090 0.00089 -0.00066 0.00100 122 7PY -0.00062 0.00013 0.00009 0.00044 -0.00006 123 7PZ 0.00107 -0.00037 -0.00072 0.00015 -0.00009 124 8PX 0.00330 -0.00125 -0.00179 0.00178 -0.00221 125 8PY 0.00089 -0.00092 -0.00074 -0.00116 0.00021 126 8PZ -0.00370 0.00079 0.00140 -0.00061 0.00016 127 9PX -0.00619 0.00176 0.00303 -0.00317 0.00357 128 9PY -0.00124 0.00181 0.00151 0.00200 -0.00047 129 9PZ 0.00680 -0.00130 -0.00230 0.00116 -0.00020 130 10PX -0.00422 0.00114 0.00202 -0.00234 0.00197 131 10PY -0.00019 0.00121 0.00036 0.00185 -0.00073 132 10PZ 0.00564 -0.00122 -0.00179 0.00112 0.00016 133 11XX -0.00044 0.00087 0.00011 -0.00028 0.00099 134 11YY -0.00010 0.00117 0.00045 -0.00025 0.00082 135 11ZZ -0.00005 0.00100 0.00037 -0.00026 0.00078 136 11XY -0.00010 0.00008 0.00002 0.00001 0.00015 137 11XZ 0.00009 0.00001 0.00006 0.00000 -0.00009 138 11YZ 0.00014 0.00009 0.00010 0.00001 -0.00003 139 12XX 0.00045 0.00001 -0.00002 0.00016 -0.00051 140 12YY 0.00010 0.00013 -0.00014 -0.00019 0.00009 141 12ZZ 0.00008 0.00033 -0.00027 0.00000 0.00012 142 12XY 0.00020 -0.00024 0.00009 -0.00008 -0.00043 143 12XZ -0.00033 0.00009 0.00005 -0.00004 0.00021 144 12YZ -0.00026 0.00004 0.00007 -0.00001 0.00004 145 8 Br 1S 0.00009 -0.00050 -0.00019 0.00015 0.00036 146 2S -0.00045 0.00243 0.00082 -0.00067 -0.00192 147 3S 0.00036 -0.00169 -0.00043 0.00037 0.00163 148 4S 0.00064 -0.00265 -0.00058 0.00050 0.00285 149 5S 0.00024 0.00016 -0.00118 0.00051 -0.00114 150 6S -0.00217 0.00083 0.00181 -0.00041 -0.00278 151 7PX 0.00080 -0.00090 -0.00089 0.00066 0.00100 152 7PY 0.00062 -0.00013 -0.00009 -0.00044 -0.00006 153 7PZ 0.00107 -0.00037 -0.00072 0.00015 0.00009 154 8PX -0.00330 0.00125 0.00179 -0.00179 -0.00221 155 8PY -0.00089 0.00092 0.00074 0.00115 0.00021 156 8PZ -0.00370 0.00079 0.00140 -0.00061 -0.00016 157 9PX 0.00619 -0.00176 -0.00303 0.00317 0.00357 158 9PY 0.00125 -0.00181 -0.00151 -0.00200 -0.00047 159 9PZ 0.00680 -0.00130 -0.00230 0.00116 0.00020 160 10PX 0.00422 -0.00114 -0.00202 0.00234 0.00197 161 10PY 0.00019 -0.00121 -0.00036 -0.00185 -0.00073 162 10PZ 0.00564 -0.00122 -0.00179 0.00112 -0.00016 163 11XX -0.00044 0.00087 0.00011 -0.00028 -0.00099 164 11YY -0.00010 0.00117 0.00045 -0.00025 -0.00082 165 11ZZ -0.00005 0.00100 0.00037 -0.00026 -0.00078 166 11XY -0.00010 0.00008 0.00002 0.00001 -0.00015 167 11XZ -0.00009 -0.00001 -0.00006 0.00000 -0.00009 168 11YZ -0.00014 -0.00009 -0.00010 -0.00001 -0.00003 169 12XX 0.00045 0.00001 -0.00002 0.00016 0.00051 170 12YY 0.00010 0.00013 -0.00014 -0.00019 -0.00009 171 12ZZ 0.00008 0.00033 -0.00027 0.00000 -0.00012 172 12XY 0.00020 -0.00024 0.00009 -0.00008 0.00043 173 12XZ 0.00033 -0.00009 -0.00005 0.00004 0.00021 174 12YZ 0.00026 -0.00004 -0.00007 0.00001 0.00004 76 77 78 79 80 76 5YZ 0.00127 77 5 Cl 1S -0.00012 2.16060 78 2S 0.00060 -0.61775 2.38949 79 2PX 0.00150 -0.00048 0.00223 2.11893 80 2PY -0.00095 0.00397 -0.01831 0.00242 2.09615 81 2PZ -0.00041 0.00000 0.00000 0.00000 0.00000 82 3S -0.00166 0.04671 -0.44152 -0.00453 0.04152 83 3PX -0.00362 0.00134 -0.00674 -0.33913 -0.00669 84 3PY 0.00229 -0.01090 0.05018 -0.00670 -0.27625 85 3PZ 0.00107 0.00000 0.00000 0.00000 0.00000 86 4S -0.00256 0.07191 -0.29794 -0.01021 0.06253 87 4PX -0.00142 -0.00001 -0.00106 -0.22391 -0.00882 88 4PY 0.00009 -0.00519 0.02649 -0.00965 -0.13889 89 4PZ 0.00049 0.00000 0.00000 0.00000 0.00000 90 5XX 0.00004 0.02218 -0.02381 0.00206 0.00543 91 5YY 0.00032 0.02392 -0.03192 -0.00056 -0.01711 92 5ZZ -0.00001 0.02224 -0.02408 -0.00084 0.00522 93 5XY -0.00030 -0.00025 0.00113 -0.01215 0.00172 94 5XZ -0.00008 0.00000 0.00000 0.00000 0.00000 95 5YZ 0.00017 0.00000 0.00000 0.00000 0.00000 96 6 Cl 1S 0.00012 -0.00002 0.00004 -0.00012 0.00017 97 2S -0.00060 0.00004 -0.00007 0.00044 -0.00081 98 2PX 0.00150 0.00012 -0.00044 0.00027 -0.00061 99 2PY -0.00095 -0.00017 0.00081 -0.00061 0.00150 100 2PZ 0.00041 0.00000 0.00000 0.00000 0.00000 101 3S 0.00166 -0.00023 0.00088 -0.00161 0.00173 102 3PX -0.00362 -0.00031 0.00094 -0.00091 0.00156 103 3PY 0.00229 0.00044 -0.00206 0.00172 -0.00390 104 3PZ -0.00107 0.00000 0.00000 0.00000 0.00000 105 4S 0.00256 0.00064 -0.00199 0.00005 0.00261 106 4PX -0.00142 -0.00034 0.00137 0.00025 0.00151 107 4PY 0.00009 0.00022 -0.00117 0.00111 -0.00335 108 4PZ -0.00049 0.00000 0.00000 0.00000 0.00000 109 5XX -0.00004 -0.00005 0.00012 0.00001 -0.00008 110 5YY -0.00032 -0.00006 0.00020 -0.00010 0.00000 111 5ZZ 0.00001 -0.00004 0.00010 0.00001 -0.00020 112 5XY 0.00030 -0.00001 0.00005 -0.00007 0.00019 113 5XZ -0.00008 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00017 0.00000 0.00000 0.00000 0.00000 115 7 Br 1S -0.00011 0.00002 0.00012 -0.00034 -0.00067 116 2S 0.00054 0.00000 -0.00085 0.00252 0.00435 117 3S -0.00041 -0.00017 0.00114 -0.00317 -0.00503 118 4S -0.00073 0.00004 0.00076 -0.00725 -0.00952 119 5S -0.00073 0.00016 -0.00040 -0.00429 0.01371 120 6S 0.00326 -0.00042 -0.00020 0.04316 -0.00730 121 7PX 0.00035 0.00010 -0.00033 -0.00011 -0.00299 122 7PY -0.00011 0.00059 -0.00227 -0.00342 -0.00606 123 7PZ -0.00013 0.00000 0.00000 0.00000 0.00000 124 8PX -0.00101 -0.00034 0.00093 0.00074 0.00913 125 8PY 0.00031 -0.00178 0.00777 0.01031 0.01900 126 8PZ 0.00053 0.00000 0.00000 0.00000 0.00000 127 9PX 0.00184 0.00050 -0.00119 -0.00166 -0.01698 128 9PY -0.00051 0.00323 -0.01444 -0.01861 -0.03538 129 9PZ -0.00098 0.00000 0.00000 0.00000 0.00000 130 10PX 0.00076 -0.00022 0.00217 -0.00317 -0.00544 131 10PY -0.00086 0.00145 -0.00728 -0.02499 -0.02815 132 10PZ -0.00103 0.00000 0.00000 0.00000 0.00000 133 11XX 0.00024 0.00017 -0.00075 0.00084 0.00155 134 11YY 0.00020 0.00015 -0.00098 0.00234 0.00329 135 11ZZ 0.00024 0.00007 -0.00048 0.00116 0.00200 136 11XY -0.00004 0.00009 -0.00053 0.00007 0.00047 137 11XZ -0.00001 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00001 0.00000 0.00000 0.00000 0.00000 139 12XX -0.00040 0.00041 -0.00157 -0.00598 0.00174 140 12YY -0.00025 0.00029 -0.00074 -0.00652 0.00026 141 12ZZ -0.00037 0.00043 -0.00143 -0.00428 0.00314 142 12XY 0.00018 0.00003 -0.00001 -0.00029 -0.00226 143 12XZ 0.00009 0.00000 0.00000 0.00000 0.00000 144 12YZ -0.00001 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00011 0.00002 0.00022 -0.00004 -0.00002 146 2S -0.00054 -0.00003 -0.00123 0.00003 0.00012 147 3S 0.00041 -0.00010 0.00121 0.00028 -0.00011 148 4S 0.00073 0.00006 0.00109 0.00020 -0.00037 149 5S 0.00073 0.00089 -0.00324 0.00014 -0.00110 150 6S -0.00326 -0.00286 0.01038 -0.00160 0.00459 151 7PX 0.00035 -0.00002 0.00027 -0.00027 0.00022 152 7PY -0.00011 0.00001 0.00003 0.00025 0.00028 153 7PZ 0.00013 0.00000 0.00000 0.00000 0.00000 154 8PX -0.00101 0.00008 -0.00053 0.00079 -0.00067 155 8PY 0.00031 -0.00002 0.00006 -0.00082 -0.00086 156 8PZ -0.00053 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00184 -0.00012 0.00075 -0.00158 0.00124 158 9PY -0.00051 0.00005 -0.00023 0.00168 0.00152 159 9PZ 0.00098 0.00000 0.00000 0.00000 0.00000 160 10PX 0.00076 -0.00041 0.00187 -0.00068 0.00122 161 10PY -0.00086 -0.00008 0.00011 0.00048 0.00185 162 10PZ 0.00103 0.00000 0.00000 0.00000 0.00000 163 11XX -0.00024 0.00008 -0.00080 -0.00011 0.00001 164 11YY -0.00020 0.00006 -0.00080 -0.00026 0.00004 165 11ZZ -0.00024 0.00009 -0.00076 -0.00012 0.00010 166 11XY 0.00004 0.00001 0.00002 0.00010 0.00003 167 11XZ -0.00001 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00001 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00040 0.00051 -0.00197 -0.00022 -0.00059 170 12YY 0.00025 0.00057 -0.00225 0.00015 -0.00057 171 12ZZ 0.00037 0.00046 -0.00182 -0.00020 -0.00077 172 12XY -0.00018 -0.00001 0.00004 -0.00020 -0.00012 173 12XZ 0.00009 0.00000 0.00000 0.00000 0.00000 174 12YZ -0.00001 0.00000 0.00000 0.00000 0.00000 81 82 83 84 85 81 2PZ 2.11805 82 3S 0.00000 1.20401 83 3PX 0.00000 0.01084 1.01779 84 3PY 0.00000 -0.10955 0.01785 0.84668 85 3PZ -0.33588 0.00000 0.00000 0.00000 1.00482 86 4S 0.00000 0.50941 0.03468 -0.16242 0.00001 87 4PX 0.00000 0.00551 0.51942 0.02255 0.00000 88 4PY 0.00000 -0.07174 0.02751 0.30760 0.00001 89 4PZ -0.22778 0.00000 0.00000 0.00001 0.53475 90 5XX 0.00000 -0.01950 -0.00619 -0.01408 0.00000 91 5YY 0.00000 -0.00361 0.00050 0.04923 0.00000 92 5ZZ 0.00000 -0.01897 0.00152 -0.01359 0.00000 93 5XY 0.00000 -0.00216 0.03176 -0.00504 0.00000 94 5XZ 0.00127 0.00000 0.00000 0.00000 -0.00338 95 5YZ -0.01232 0.00000 0.00000 0.00000 0.03246 96 6 Cl 1S 0.00000 -0.00023 0.00031 -0.00044 0.00000 97 2S 0.00000 0.00088 -0.00094 0.00206 0.00000 98 2PX 0.00000 0.00161 -0.00091 0.00172 0.00000 99 2PY 0.00000 -0.00173 0.00155 -0.00390 0.00000 100 2PZ -0.00175 0.00000 0.00000 0.00000 0.00472 101 3S 0.00000 -0.00165 0.00449 -0.00435 0.00000 102 3PX 0.00000 -0.00449 0.00353 -0.00438 0.00000 103 3PY 0.00000 0.00435 -0.00438 0.01026 0.00000 104 3PZ 0.00472 0.00000 0.00000 0.00000 -0.01284 105 4S 0.00000 0.00038 -0.00340 -0.00693 0.00000 106 4PX 0.00000 -0.00383 -0.00290 -0.00426 0.00000 107 4PY 0.00000 0.00264 -0.00194 0.00866 0.00000 108 4PZ 0.00263 0.00000 0.00000 0.00000 -0.00669 109 5XX 0.00000 0.00008 0.00022 0.00022 0.00000 110 5YY 0.00000 -0.00012 0.00039 -0.00002 0.00000 111 5ZZ 0.00000 0.00011 0.00011 0.00055 0.00000 112 5XY 0.00000 -0.00001 0.00028 -0.00045 0.00000 113 5XZ -0.00016 0.00000 0.00000 0.00000 0.00040 114 5YZ 0.00030 0.00000 0.00000 0.00000 -0.00075 115 7 Br 1S 0.00000 0.00015 0.00034 0.00154 0.00000 116 2S 0.00000 -0.00070 -0.00319 -0.01013 0.00000 117 3S 0.00000 0.00039 0.00437 0.01176 0.00000 118 4S 0.00000 0.00087 0.01570 0.02282 0.00000 119 5S 0.00000 -0.00156 0.02065 -0.02834 0.00000 120 6S 0.00000 0.01151 -0.14280 0.00214 -0.00001 121 7PX 0.00000 0.00138 0.00014 0.00782 0.00000 122 7PY 0.00000 0.00667 0.00924 0.01586 0.00000 123 7PZ 0.00247 0.00000 0.00000 0.00000 -0.00651 124 8PX 0.00000 -0.00482 -0.00254 -0.02351 0.00000 125 8PY 0.00000 -0.01869 -0.02688 -0.05008 0.00000 126 8PZ -0.00708 0.00000 0.00000 0.00000 0.01722 127 9PX 0.00000 0.00826 0.00682 0.04338 0.00000 128 9PY 0.00000 0.03233 0.04733 0.09380 0.00000 129 9PZ 0.01213 0.00000 0.00000 0.00000 -0.02738 130 10PX 0.00000 -0.00189 0.00586 0.01758 0.00000 131 10PY 0.00000 0.02074 0.07044 0.07489 0.00000 132 10PZ 0.01809 0.00000 0.00000 0.00000 -0.05129 133 11XX 0.00000 0.00031 0.00045 -0.00341 0.00000 134 11YY 0.00000 -0.00012 -0.00359 -0.00768 0.00000 135 11ZZ 0.00000 -0.00087 -0.00050 -0.00457 0.00000 136 11XY 0.00000 0.00100 -0.00010 -0.00102 0.00000 137 11XZ -0.00028 0.00000 0.00000 0.00000 0.00071 138 11YZ -0.00070 0.00000 0.00000 0.00000 0.00182 139 12XX 0.00000 0.00061 0.02228 -0.00179 0.00000 140 12YY 0.00000 -0.00224 0.02254 0.00140 0.00000 141 12ZZ 0.00000 0.00043 0.01737 -0.00569 0.00000 142 12XY 0.00000 -0.00148 0.00043 0.00447 0.00000 143 12XZ -0.00032 0.00000 0.00000 0.00000 0.00178 144 12YZ 0.00120 0.00000 0.00000 0.00000 -0.00237 145 8 Br 1S 0.00000 0.00060 0.00023 0.00005 0.00000 146 2S 0.00000 -0.00287 -0.00099 -0.00025 0.00000 147 3S 0.00000 0.00199 0.00053 0.00016 0.00000 148 4S 0.00000 0.00312 0.00016 0.00089 0.00000 149 5S 0.00000 0.00157 -0.00207 0.00269 0.00000 150 6S 0.00000 -0.00412 0.01013 -0.01144 0.00000 151 7PX 0.00000 0.00005 0.00076 -0.00056 0.00000 152 7PY 0.00000 0.00012 -0.00066 -0.00073 0.00000 153 7PZ 0.00048 0.00000 0.00000 0.00000 -0.00125 154 8PX 0.00000 0.00037 -0.00219 0.00166 0.00000 155 8PY 0.00000 -0.00006 0.00222 0.00224 0.00000 156 8PZ -0.00144 0.00000 0.00000 0.00000 0.00365 157 9PX 0.00000 -0.00089 0.00422 -0.00304 0.00000 158 9PY 0.00000 -0.00009 -0.00470 -0.00393 0.00000 159 9PZ 0.00259 0.00000 0.00000 0.00000 -0.00644 160 10PX 0.00000 -0.00106 0.00170 -0.00299 0.00000 161 10PY 0.00000 0.00030 -0.00048 -0.00496 0.00000 162 10PZ 0.00280 0.00000 0.00000 0.00000 -0.00716 163 11XX 0.00000 -0.00115 -0.00058 0.00008 0.00000 164 11YY 0.00000 -0.00141 -0.00017 -0.00002 0.00000 165 11ZZ 0.00000 -0.00099 -0.00056 -0.00015 0.00000 166 11XY 0.00000 0.00015 -0.00030 -0.00006 0.00000 167 11XZ 0.00010 0.00000 0.00000 0.00000 -0.00027 168 11YZ 0.00004 0.00000 0.00000 0.00000 -0.00011 169 12XX 0.00000 0.00028 -0.00127 0.00164 0.00000 170 12YY 0.00000 0.00045 -0.00201 0.00154 0.00000 171 12ZZ 0.00000 0.00016 -0.00196 0.00205 0.00000 172 12XY 0.00000 0.00011 0.00041 0.00024 0.00000 173 12XZ -0.00014 0.00000 0.00000 0.00000 0.00028 174 12YZ -0.00006 0.00000 0.00000 0.00000 0.00032 86 87 88 89 90 86 4S 0.24557 87 4PX 0.01608 0.26788 88 4PY -0.06894 0.01904 0.11502 89 4PZ 0.00000 0.00000 0.00001 0.28693 90 5XX -0.00476 -0.00340 -0.00465 0.00000 0.00120 91 5YY -0.00709 0.00091 0.01747 0.00000 -0.00032 92 5ZZ -0.00422 0.00056 -0.00427 0.00000 0.00114 93 5XY 0.00076 0.01585 -0.00106 0.00000 -0.00006 94 5XZ 0.00000 0.00000 0.00000 -0.00183 0.00000 95 5YZ 0.00000 0.00000 0.00000 0.01713 0.00000 96 6 Cl 1S 0.00064 0.00034 -0.00022 0.00000 -0.00005 97 2S -0.00199 -0.00137 0.00117 0.00000 0.00012 98 2PX -0.00005 0.00025 0.00111 0.00000 -0.00001 99 2PY -0.00261 0.00151 -0.00335 0.00000 0.00008 100 2PZ 0.00000 0.00000 0.00000 0.00263 0.00000 101 3S 0.00038 0.00383 -0.00264 0.00000 0.00008 102 3PX 0.00340 -0.00290 -0.00194 0.00000 -0.00022 103 3PY 0.00694 -0.00426 0.00866 0.00000 -0.00022 104 3PZ 0.00000 0.00000 0.00000 -0.00669 0.00000 105 4S -0.00067 -0.00080 -0.00357 0.00000 0.00031 106 4PX 0.00080 -0.00364 -0.00205 0.00000 -0.00003 107 4PY 0.00357 -0.00205 0.00539 0.00000 -0.00025 108 4PZ 0.00000 0.00000 0.00000 -0.00350 0.00000 109 5XX 0.00031 0.00003 0.00025 0.00000 -0.00002 110 5YY -0.00019 0.00029 -0.00017 0.00000 -0.00001 111 5ZZ 0.00011 -0.00001 0.00033 0.00000 -0.00002 112 5XY -0.00037 0.00033 -0.00027 0.00000 0.00002 113 5XZ 0.00000 0.00000 0.00000 0.00024 0.00000 114 5YZ 0.00000 0.00000 0.00000 -0.00045 0.00000 115 7 Br 1S -0.00376 0.00525 0.00242 0.00000 0.00014 116 2S 0.01948 -0.02657 -0.01215 0.00000 -0.00056 117 3S -0.01588 0.02024 0.00922 0.00000 0.00014 118 4S -0.02507 0.03561 0.01524 0.00000 -0.00002 119 5S 0.01387 0.00513 -0.00611 0.00000 0.00048 120 6S -0.00732 -0.06730 0.00008 -0.00001 0.00179 121 7PX -0.00546 0.00203 -0.00002 0.00000 0.00028 122 7PY 0.00041 0.00513 0.00748 0.00000 0.00042 123 7PZ 0.00000 0.00000 0.00000 -0.00414 0.00000 124 8PX 0.01936 -0.00052 -0.00439 0.00000 -0.00076 125 8PY -0.01825 -0.02402 -0.02652 0.00000 0.00054 126 8PZ 0.00000 0.00000 0.00000 0.02142 0.00000 127 9PX -0.03651 -0.00078 0.00999 0.00000 0.00128 128 9PY 0.03941 0.04632 0.05023 0.00000 -0.00160 129 9PZ 0.00000 0.00000 0.00000 -0.04082 0.00000 130 10PX -0.02756 -0.00276 0.00160 0.00000 0.00107 131 10PY 0.03213 0.05205 0.04064 0.00000 -0.00168 132 10PZ 0.00000 0.00000 0.00000 -0.04891 0.00000 133 11XX 0.00593 -0.01179 -0.00507 0.00000 -0.00002 134 11YY 0.01229 -0.01095 -0.00563 0.00000 -0.00034 135 11ZZ 0.00807 -0.01094 -0.00495 0.00000 -0.00019 136 11XY 0.00279 0.00025 0.00059 0.00000 -0.00012 137 11XZ 0.00000 0.00000 0.00000 -0.00094 0.00000 138 11YZ 0.00000 0.00000 0.00000 -0.00030 0.00000 139 12XX 0.00795 0.00779 -0.00064 0.00000 -0.00044 140 12YY 0.00165 0.00655 -0.00069 0.00000 -0.00032 141 12ZZ 0.00541 0.00485 -0.00251 0.00000 -0.00014 142 12XY -0.00167 -0.00044 0.00099 0.00000 -0.00019 143 12XZ 0.00000 0.00000 0.00000 0.00217 0.00000 144 12YZ 0.00000 0.00000 0.00000 -0.00034 0.00000 145 8 Br 1S -0.00561 -0.00012 -0.00056 0.00000 0.00046 146 2S 0.02693 0.00067 0.00270 0.00000 -0.00215 147 3S -0.01828 -0.00056 -0.00188 0.00000 0.00132 148 4S -0.02764 -0.00126 -0.00273 0.00000 0.00195 149 5S -0.00182 -0.00068 0.00012 0.00000 0.00024 150 6S 0.00438 0.00513 -0.00073 0.00000 0.00033 151 7PX -0.00393 0.00060 -0.00103 0.00000 0.00025 152 7PY -0.00074 -0.00056 -0.00040 0.00000 0.00002 153 7PZ 0.00000 0.00000 0.00000 -0.00095 0.00000 154 8PX 0.00463 -0.00001 0.00174 0.00000 -0.00019 155 8PY 0.00020 0.00078 0.00141 0.00000 0.00018 156 8PZ 0.00000 0.00000 0.00000 0.00299 0.00000 157 9PX -0.00558 -0.00059 -0.00265 0.00000 0.00017 158 9PY 0.00040 -0.00136 -0.00259 0.00000 -0.00040 159 9PZ 0.00000 0.00000 0.00000 -0.00538 0.00000 160 10PX -0.00306 -0.00122 -0.00152 0.00000 0.00016 161 10PY 0.00153 0.00053 -0.00228 0.00000 -0.00030 162 10PZ 0.00000 0.00000 0.00000 -0.00558 0.00000 163 11XX 0.01100 0.00026 0.00110 0.00000 -0.00086 164 11YY 0.01243 -0.00028 0.00152 0.00000 -0.00093 165 11ZZ 0.01007 0.00078 0.00080 0.00000 -0.00078 166 11XY -0.00077 0.00037 -0.00024 0.00000 0.00007 167 11XZ 0.00000 0.00000 0.00000 -0.00001 0.00000 168 11YZ 0.00000 0.00000 0.00000 -0.00022 0.00000 169 12XX 0.00238 -0.00055 0.00044 0.00000 -0.00024 170 12YY 0.00283 -0.00079 0.00038 0.00000 -0.00029 171 12ZZ 0.00253 -0.00085 0.00064 0.00000 -0.00027 172 12XY 0.00006 0.00022 0.00010 0.00000 -0.00002 173 12XZ 0.00000 0.00000 0.00000 0.00010 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00009 0.00000 91 92 93 94 95 91 5YY 0.00374 92 5ZZ -0.00032 0.00114 93 5XY -0.00031 0.00017 0.00115 94 5XZ 0.00000 0.00000 0.00000 0.00003 95 5YZ 0.00000 0.00000 0.00000 -0.00013 0.00112 96 6 Cl 1S -0.00006 -0.00004 -0.00001 0.00000 0.00000 97 2S 0.00020 0.00010 0.00005 0.00000 0.00000 98 2PX 0.00010 -0.00001 0.00007 0.00000 0.00000 99 2PY 0.00000 0.00020 -0.00019 0.00000 0.00000 100 2PZ 0.00000 0.00000 0.00000 0.00016 -0.00030 101 3S -0.00012 0.00011 -0.00001 0.00000 0.00000 102 3PX -0.00039 -0.00011 -0.00028 0.00000 0.00000 103 3PY 0.00002 -0.00055 0.00045 0.00000 0.00000 104 3PZ 0.00000 0.00000 0.00000 -0.00040 0.00075 105 4S -0.00019 0.00011 -0.00037 0.00000 0.00000 106 4PX -0.00029 0.00001 -0.00033 0.00000 0.00000 107 4PY 0.00017 -0.00033 0.00027 0.00000 0.00000 108 4PZ 0.00000 0.00000 0.00000 -0.00024 0.00045 109 5XX -0.00001 -0.00002 0.00002 0.00000 0.00000 110 5YY 0.00001 0.00001 0.00001 0.00000 0.00000 111 5ZZ 0.00001 -0.00002 0.00003 0.00000 0.00000 112 5XY 0.00001 0.00003 0.00000 0.00000 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00001 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00000 -0.00002 115 7 Br 1S 0.00081 0.00036 0.00036 0.00000 0.00000 116 2S -0.00400 -0.00159 -0.00174 0.00000 0.00000 117 3S 0.00287 0.00081 0.00120 0.00000 0.00000 118 4S 0.00470 0.00106 0.00207 0.00000 0.00000 119 5S -0.00161 0.00072 0.00120 0.00000 0.00000 120 6S -0.00069 0.00072 -0.00578 0.00000 0.00000 121 7PX 0.00003 0.00002 -0.00024 0.00000 0.00000 122 7PY -0.00034 0.00057 -0.00132 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00023 0.00058 124 8PX -0.00048 -0.00047 0.00040 0.00000 0.00000 125 8PY 0.00184 -0.00039 0.00295 0.00000 0.00000 126 8PZ 0.00000 0.00000 0.00000 -0.00073 -0.00125 127 9PX 0.00118 0.00093 -0.00057 0.00000 0.00000 128 9PY -0.00334 0.00023 -0.00502 0.00000 0.00000 129 9PZ 0.00000 0.00000 0.00000 0.00132 0.00215 130 10PX 0.00066 0.00076 0.00026 0.00000 0.00000 131 10PY -0.00225 0.00001 -0.00258 0.00000 0.00000 132 10PZ 0.00000 0.00000 0.00000 0.00123 0.00081 133 11XX -0.00156 -0.00043 -0.00071 0.00000 0.00000 134 11YY -0.00202 -0.00075 -0.00071 0.00000 0.00000 135 11ZZ -0.00148 -0.00063 -0.00070 0.00000 0.00000 136 11XY -0.00050 -0.00006 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00001 0.00005 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00004 139 12XX -0.00038 -0.00034 0.00053 0.00000 0.00000 140 12YY 0.00012 -0.00033 0.00086 0.00000 0.00000 141 12ZZ -0.00082 -0.00010 0.00046 0.00000 0.00000 142 12XY 0.00082 -0.00024 0.00017 0.00000 0.00000 143 12XZ 0.00000 0.00000 0.00000 -0.00006 -0.00010 144 12YZ 0.00000 0.00000 0.00000 -0.00003 -0.00021 145 8 Br 1S 0.00046 0.00030 0.00003 0.00000 0.00000 146 2S -0.00216 -0.00143 -0.00015 0.00000 0.00000 147 3S 0.00132 0.00089 0.00008 0.00000 0.00000 148 4S 0.00199 0.00131 0.00010 0.00000 0.00000 149 5S 0.00062 0.00009 -0.00005 0.00000 0.00000 150 6S -0.00085 0.00032 0.00048 0.00000 0.00000 151 7PX 0.00020 0.00013 0.00013 0.00000 0.00000 152 7PY 0.00015 0.00020 -0.00005 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 -0.00005 0.00005 154 8PX -0.00007 -0.00025 -0.00021 0.00000 0.00000 155 8PY -0.00012 -0.00014 0.00012 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00009 -0.00021 157 9PX -0.00003 0.00043 0.00033 0.00000 0.00000 158 9PY 0.00013 0.00012 -0.00022 0.00000 0.00000 159 9PZ 0.00000 0.00000 0.00000 -0.00014 0.00040 160 10PX -0.00018 0.00034 0.00023 0.00000 0.00000 161 10PY 0.00000 0.00008 -0.00009 0.00000 0.00000 162 10PZ 0.00000 0.00000 0.00000 -0.00014 0.00033 163 11XX -0.00084 -0.00060 -0.00006 0.00000 0.00000 164 11YY -0.00093 -0.00064 -0.00009 0.00000 0.00000 165 11ZZ -0.00080 -0.00050 -0.00004 0.00000 0.00000 166 11XY 0.00004 0.00005 0.00001 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 -0.00001 168 11YZ 0.00000 0.00000 0.00000 0.00000 -0.00001 169 12XX -0.00010 -0.00019 -0.00006 0.00000 0.00000 170 12YY -0.00007 -0.00021 -0.00010 0.00000 0.00000 171 12ZZ -0.00008 -0.00021 -0.00008 0.00000 0.00000 172 12XY 0.00000 0.00000 0.00003 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 -0.00002 0.00004 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00003 96 97 98 99 100 96 6 Cl 1S 2.16060 97 2S -0.61775 2.38949 98 2PX 0.00048 -0.00223 2.11893 99 2PY -0.00397 0.01831 0.00242 2.09615 100 2PZ 0.00000 0.00000 0.00000 0.00000 2.11805 101 3S 0.04671 -0.44152 0.00453 -0.04152 0.00000 102 3PX -0.00134 0.00674 -0.33913 -0.00669 0.00000 103 3PY 0.01090 -0.05018 -0.00671 -0.27625 0.00000 104 3PZ 0.00000 0.00000 0.00000 0.00000 -0.33588 105 4S 0.07191 -0.29794 0.01022 -0.06253 0.00000 106 4PX 0.00001 0.00106 -0.22391 -0.00883 0.00000 107 4PY 0.00519 -0.02649 -0.00966 -0.13889 0.00000 108 4PZ 0.00000 0.00000 0.00000 0.00000 -0.22778 109 5XX 0.02218 -0.02382 -0.00206 -0.00543 0.00000 110 5YY 0.02392 -0.03192 0.00056 0.01711 0.00000 111 5ZZ 0.02224 -0.02408 0.00084 -0.00522 0.00000 112 5XY -0.00025 0.00113 0.01215 -0.00172 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00000 -0.00127 114 5YZ 0.00000 0.00000 0.00000 0.00000 0.01231 115 7 Br 1S 0.00002 0.00022 0.00004 0.00002 0.00000 116 2S -0.00003 -0.00123 -0.00003 -0.00012 0.00000 117 3S -0.00010 0.00121 -0.00028 0.00011 0.00000 118 4S 0.00006 0.00109 -0.00020 0.00037 0.00000 119 5S 0.00089 -0.00324 -0.00014 0.00110 0.00000 120 6S -0.00286 0.01039 0.00161 -0.00459 0.00000 121 7PX 0.00002 -0.00027 -0.00027 0.00022 0.00000 122 7PY -0.00001 -0.00003 0.00025 0.00028 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00048 124 8PX -0.00008 0.00053 0.00079 -0.00067 0.00000 125 8PY 0.00002 -0.00006 -0.00082 -0.00086 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 -0.00144 127 9PX 0.00012 -0.00075 -0.00158 0.00124 0.00000 128 9PY -0.00005 0.00023 0.00168 0.00152 0.00000 129 9PZ 0.00000 0.00000 0.00000 0.00000 0.00259 130 10PX 0.00041 -0.00188 -0.00067 0.00122 0.00000 131 10PY 0.00008 -0.00011 0.00048 0.00185 0.00000 132 10PZ 0.00000 0.00000 0.00000 0.00000 0.00280 133 11XX 0.00008 -0.00081 0.00011 -0.00001 0.00000 134 11YY 0.00006 -0.00080 0.00026 -0.00004 0.00000 135 11ZZ 0.00009 -0.00076 0.00012 -0.00010 0.00000 136 11XY 0.00001 0.00002 -0.00010 -0.00003 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 -0.00010 138 11YZ 0.00000 0.00000 0.00000 0.00000 -0.00004 139 12XX 0.00051 -0.00197 0.00022 0.00059 0.00000 140 12YY 0.00057 -0.00225 -0.00015 0.00057 0.00000 141 12ZZ 0.00046 -0.00182 0.00019 0.00077 0.00000 142 12XY -0.00001 0.00004 0.00020 0.00012 0.00000 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00014 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00006 145 8 Br 1S 0.00002 0.00012 0.00034 0.00067 0.00000 146 2S 0.00000 -0.00085 -0.00252 -0.00435 0.00000 147 3S -0.00017 0.00114 0.00317 0.00503 0.00000 148 4S 0.00004 0.00076 0.00725 0.00952 0.00000 149 5S 0.00016 -0.00040 0.00429 -0.01371 0.00000 150 6S -0.00042 -0.00020 -0.04316 0.00730 0.00000 151 7PX -0.00010 0.00033 -0.00010 -0.00299 0.00000 152 7PY -0.00059 0.00227 -0.00342 -0.00607 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00247 154 8PX 0.00034 -0.00093 0.00073 0.00913 0.00000 155 8PY 0.00178 -0.00777 0.01030 0.01900 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 -0.00708 157 9PX -0.00050 0.00119 -0.00165 -0.01698 0.00000 158 9PY -0.00323 0.01444 -0.01861 -0.03538 0.00000 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.01213 160 10PX 0.00022 -0.00217 -0.00317 -0.00543 0.00000 161 10PY -0.00145 0.00728 -0.02499 -0.02815 0.00000 162 10PZ 0.00000 0.00000 0.00000 0.00000 0.01809 163 11XX 0.00017 -0.00075 -0.00084 -0.00155 0.00000 164 11YY 0.00015 -0.00098 -0.00234 -0.00329 0.00000 165 11ZZ 0.00007 -0.00048 -0.00116 -0.00200 0.00000 166 11XY 0.00009 -0.00053 -0.00007 -0.00047 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00028 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00070 169 12XX 0.00041 -0.00157 0.00598 -0.00174 0.00000 170 12YY 0.00029 -0.00074 0.00652 -0.00026 0.00000 171 12ZZ 0.00043 -0.00143 0.00428 -0.00314 0.00000 172 12XY 0.00003 -0.00001 0.00029 0.00226 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00032 174 12YZ 0.00000 0.00000 0.00000 0.00000 -0.00120 101 102 103 104 105 101 3S 1.20401 102 3PX -0.01085 1.01779 103 3PY 0.10955 0.01787 0.84669 104 3PZ 0.00000 0.00000 0.00000 1.00482 105 4S 0.50941 -0.03470 0.16242 -0.00001 0.24557 106 4PX -0.00552 0.51941 0.02258 0.00000 -0.01609 107 4PY 0.07174 0.02753 0.30761 0.00001 0.06894 108 4PZ 0.00000 0.00000 0.00001 0.53475 0.00000 109 5XX -0.01950 0.00619 0.01408 0.00000 -0.00476 110 5YY -0.00361 -0.00050 -0.04923 0.00000 -0.00709 111 5ZZ -0.01897 -0.00152 0.01359 0.00000 -0.00422 112 5XY -0.00216 -0.03176 0.00504 0.00000 0.00076 113 5XZ 0.00000 0.00000 0.00000 0.00338 0.00000 114 5YZ 0.00000 0.00000 0.00000 -0.03246 0.00000 115 7 Br 1S 0.00060 -0.00023 -0.00005 0.00000 -0.00561 116 2S -0.00287 0.00098 0.00025 0.00000 0.02694 117 3S 0.00199 -0.00053 -0.00016 0.00000 -0.01829 118 4S 0.00312 -0.00016 -0.00089 0.00000 -0.02766 119 5S 0.00157 0.00207 -0.00270 0.00000 -0.00182 120 6S -0.00412 -0.01013 0.01145 0.00000 0.00438 121 7PX -0.00006 0.00076 -0.00056 0.00000 0.00393 122 7PY -0.00012 -0.00066 -0.00073 0.00000 0.00074 123 7PZ 0.00000 0.00000 0.00000 -0.00125 0.00000 124 8PX -0.00037 -0.00219 0.00167 0.00000 -0.00463 125 8PY 0.00006 0.00221 0.00224 0.00000 -0.00020 126 8PZ 0.00000 0.00000 0.00000 0.00365 0.00000 127 9PX 0.00089 0.00421 -0.00304 0.00000 0.00558 128 9PY 0.00009 -0.00470 -0.00393 0.00000 -0.00040 129 9PZ 0.00000 0.00000 0.00000 -0.00644 0.00000 130 10PX 0.00106 0.00170 -0.00299 0.00000 0.00306 131 10PY -0.00030 -0.00048 -0.00496 0.00000 -0.00153 132 10PZ 0.00000 0.00000 0.00000 -0.00717 0.00000 133 11XX -0.00115 0.00058 -0.00008 0.00000 0.01101 134 11YY -0.00141 0.00017 0.00002 0.00000 0.01244 135 11ZZ -0.00099 0.00056 0.00015 0.00000 0.01008 136 11XY 0.00015 0.00030 0.00006 0.00000 -0.00077 137 11XZ 0.00000 0.00000 0.00000 0.00027 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00011 0.00000 139 12XX 0.00028 0.00127 -0.00165 0.00000 0.00238 140 12YY 0.00045 0.00201 -0.00154 0.00000 0.00283 141 12ZZ 0.00016 0.00196 -0.00205 0.00000 0.00253 142 12XY 0.00011 -0.00040 -0.00024 0.00000 0.00006 143 12XZ 0.00000 0.00000 0.00000 -0.00028 0.00000 144 12YZ 0.00000 0.00000 0.00000 -0.00032 0.00000 145 8 Br 1S 0.00015 -0.00034 -0.00154 0.00000 -0.00376 146 2S -0.00070 0.00319 0.01013 0.00000 0.01948 147 3S 0.00039 -0.00437 -0.01176 0.00000 -0.01588 148 4S 0.00087 -0.01570 -0.02282 0.00000 -0.02507 149 5S -0.00156 -0.02065 0.02834 0.00000 0.01387 150 6S 0.01151 0.14279 -0.00212 0.00001 -0.00732 151 7PX -0.00137 0.00014 0.00782 0.00000 0.00546 152 7PY -0.00667 0.00924 0.01586 0.00000 -0.00041 153 7PZ 0.00000 0.00000 0.00000 -0.00651 0.00000 154 8PX 0.00482 -0.00253 -0.02351 0.00000 -0.01936 155 8PY 0.01870 -0.02687 -0.05008 0.00000 0.01825 156 8PZ 0.00000 0.00000 0.00000 0.01722 0.00000 157 9PX -0.00826 0.00681 0.04337 0.00000 0.03651 158 9PY -0.03233 0.04732 0.09381 0.00000 -0.03941 159 9PZ 0.00000 0.00000 0.00000 -0.02738 0.00001 160 10PX 0.00189 0.00585 0.01757 0.00000 0.02756 161 10PY -0.02074 0.07043 0.07490 0.00000 -0.03213 162 10PZ 0.00000 0.00000 0.00000 -0.05129 0.00000 163 11XX 0.00031 -0.00045 0.00341 0.00000 0.00593 164 11YY -0.00012 0.00359 0.00768 0.00000 0.01229 165 11ZZ -0.00087 0.00050 0.00457 0.00000 0.00807 166 11XY 0.00100 0.00010 0.00102 0.00000 0.00279 167 11XZ 0.00000 0.00000 0.00000 -0.00071 0.00000 168 11YZ 0.00000 0.00000 0.00000 -0.00182 0.00000 169 12XX 0.00061 -0.02228 0.00179 0.00000 0.00795 170 12YY -0.00224 -0.02254 -0.00141 0.00000 0.00165 171 12ZZ 0.00043 -0.01737 0.00568 0.00000 0.00540 172 12XY -0.00148 -0.00043 -0.00447 0.00000 -0.00166 173 12XZ 0.00000 0.00000 0.00000 -0.00178 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00237 0.00000 106 107 108 109 110 106 4PX 0.26788 107 4PY 0.01906 0.11502 108 4PZ 0.00000 0.00000 0.28693 109 5XX 0.00341 0.00465 0.00000 0.00120 110 5YY -0.00091 -0.01747 0.00000 -0.00032 0.00374 111 5ZZ -0.00056 0.00427 0.00000 0.00114 -0.00032 112 5XY -0.01585 0.00106 0.00000 -0.00006 -0.00031 113 5XZ 0.00000 0.00000 0.00183 0.00000 0.00000 114 5YZ 0.00000 0.00000 -0.01713 0.00000 0.00000 115 7 Br 1S 0.00012 0.00056 0.00000 0.00046 0.00046 116 2S -0.00066 -0.00270 0.00000 -0.00215 -0.00216 117 3S 0.00056 0.00188 0.00000 0.00133 0.00132 118 4S 0.00125 0.00274 0.00000 0.00195 0.00199 119 5S 0.00068 -0.00012 0.00000 0.00024 0.00062 120 6S -0.00513 0.00073 0.00000 0.00034 -0.00085 121 7PX 0.00060 -0.00103 0.00000 -0.00025 -0.00020 122 7PY -0.00056 -0.00040 0.00000 -0.00002 -0.00015 123 7PZ 0.00000 0.00000 -0.00095 0.00000 0.00000 124 8PX -0.00001 0.00175 0.00000 0.00019 0.00007 125 8PY 0.00078 0.00141 0.00000 -0.00018 0.00012 126 8PZ 0.00000 0.00000 0.00299 0.00000 0.00000 127 9PX -0.00059 -0.00265 0.00000 -0.00017 0.00003 128 9PY -0.00136 -0.00259 0.00000 0.00040 -0.00013 129 9PZ 0.00000 0.00000 -0.00538 0.00000 0.00000 130 10PX -0.00122 -0.00152 0.00000 -0.00016 0.00018 131 10PY 0.00053 -0.00228 0.00000 0.00030 0.00000 132 10PZ 0.00000 0.00000 -0.00558 0.00000 0.00000 133 11XX -0.00026 -0.00110 0.00000 -0.00086 -0.00084 134 11YY 0.00028 -0.00152 0.00000 -0.00093 -0.00093 135 11ZZ -0.00078 -0.00080 0.00000 -0.00078 -0.00080 136 11XY -0.00037 0.00024 0.00000 0.00007 0.00004 137 11XZ 0.00000 0.00000 0.00001 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00022 0.00000 0.00000 139 12XX 0.00055 -0.00044 0.00000 -0.00024 -0.00010 140 12YY 0.00079 -0.00038 0.00000 -0.00029 -0.00007 141 12ZZ 0.00085 -0.00064 0.00000 -0.00027 -0.00008 142 12XY -0.00022 -0.00010 0.00000 -0.00002 0.00000 143 12XZ 0.00000 0.00000 -0.00010 0.00000 0.00000 144 12YZ 0.00000 0.00000 -0.00009 0.00000 0.00000 145 8 Br 1S -0.00525 -0.00242 0.00000 0.00014 0.00081 146 2S 0.02657 0.01215 0.00000 -0.00056 -0.00400 147 3S -0.02023 -0.00922 0.00000 0.00014 0.00287 148 4S -0.03561 -0.01524 0.00000 -0.00002 0.00470 149 5S -0.00512 0.00611 0.00000 0.00048 -0.00161 150 6S 0.06729 -0.00007 0.00001 0.00179 -0.00069 151 7PX 0.00203 -0.00002 0.00000 -0.00028 -0.00003 152 7PY 0.00513 0.00748 0.00000 -0.00042 0.00034 153 7PZ 0.00000 0.00000 -0.00414 0.00000 0.00000 154 8PX -0.00052 -0.00438 0.00000 0.00076 0.00048 155 8PY -0.02402 -0.02653 0.00000 -0.00053 -0.00185 156 8PZ 0.00000 0.00000 0.02142 0.00000 0.00000 157 9PX -0.00079 0.00998 0.00000 -0.00128 -0.00118 158 9PY 0.04631 0.05024 0.00000 0.00160 0.00334 159 9PZ 0.00000 0.00000 -0.04082 0.00000 0.00000 160 10PX -0.00277 0.00159 0.00000 -0.00107 -0.00066 161 10PY 0.05205 0.04065 0.00000 0.00168 0.00225 162 10PZ 0.00000 0.00000 -0.04891 0.00000 0.00000 163 11XX 0.01179 0.00507 0.00000 -0.00002 -0.00156 164 11YY 0.01095 0.00563 0.00000 -0.00034 -0.00202 165 11ZZ 0.01094 0.00496 0.00000 -0.00019 -0.00148 166 11XY -0.00025 -0.00059 0.00000 -0.00012 -0.00050 167 11XZ 0.00000 0.00000 0.00094 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00030 0.00000 0.00000 169 12XX -0.00779 0.00064 0.00000 -0.00044 -0.00038 170 12YY -0.00654 0.00069 0.00000 -0.00032 0.00012 171 12ZZ -0.00485 0.00251 0.00000 -0.00014 -0.00082 172 12XY 0.00044 -0.00099 0.00000 -0.00019 0.00082 173 12XZ 0.00000 0.00000 -0.00217 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00034 0.00000 0.00000 111 112 113 114 115 111 5ZZ 0.00114 112 5XY 0.00017 0.00115 113 5XZ 0.00000 0.00000 0.00003 114 5YZ 0.00000 0.00000 -0.00013 0.00112 115 7 Br 1S 0.00031 0.00003 0.00000 0.00000 2.39615 116 2S -0.00143 -0.00015 0.00000 0.00000 -1.27293 117 3S 0.00090 0.00008 0.00000 0.00000 0.48905 118 4S 0.00131 0.00010 0.00000 0.00000 0.74723 119 5S 0.00009 -0.00005 0.00000 0.00000 0.14014 120 6S 0.00032 0.00048 0.00000 0.00000 0.23071 121 7PX -0.00013 -0.00013 0.00000 0.00000 -0.00008 122 7PY -0.00020 0.00005 0.00000 0.00000 -0.00018 123 7PZ 0.00000 0.00000 0.00005 -0.00005 0.00000 124 8PX 0.00025 0.00021 0.00000 0.00000 0.00147 125 8PY 0.00014 -0.00012 0.00000 0.00000 0.00130 126 8PZ 0.00000 0.00000 -0.00009 0.00021 0.00000 127 9PX -0.00043 -0.00033 0.00000 0.00000 0.00036 128 9PY -0.00012 0.00022 0.00000 0.00000 -0.00054 129 9PZ 0.00000 0.00000 0.00014 -0.00040 0.00000 130 10PX -0.00035 -0.00023 0.00000 0.00000 -0.01897 131 10PY -0.00008 0.00009 0.00000 0.00000 -0.01216 132 10PZ 0.00000 0.00000 0.00014 -0.00033 0.00000 133 11XX -0.00060 -0.00006 0.00000 0.00000 -0.39295 134 11YY -0.00064 -0.00009 0.00000 0.00000 -0.39292 135 11ZZ -0.00050 -0.00004 0.00000 0.00000 -0.39309 136 11XY 0.00005 0.00001 0.00000 0.00000 0.00017 137 11XZ 0.00000 0.00000 0.00000 -0.00001 0.00000 138 11YZ 0.00000 0.00000 0.00000 -0.00001 0.00000 139 12XX -0.00019 -0.00006 0.00000 0.00000 -0.12498 140 12YY -0.00021 -0.00010 0.00000 0.00000 -0.12553 141 12ZZ -0.00021 -0.00008 0.00000 0.00000 -0.12495 142 12XY 0.00000 0.00003 0.00000 0.00000 -0.00034 143 12XZ 0.00000 0.00000 -0.00002 0.00004 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00003 0.00000 145 8 Br 1S 0.00036 0.00036 0.00000 0.00000 -0.00011 146 2S -0.00159 -0.00174 0.00000 0.00000 -0.00007 147 3S 0.00081 0.00120 0.00000 0.00000 0.00125 148 4S 0.00106 0.00207 0.00000 0.00000 0.00013 149 5S 0.00072 0.00120 0.00000 0.00000 -0.00447 150 6S 0.00072 -0.00578 0.00000 0.00000 0.01623 151 7PX -0.00002 0.00024 0.00000 0.00000 0.00001 152 7PY -0.00057 0.00132 0.00000 0.00000 -0.00002 153 7PZ 0.00000 0.00000 -0.00023 -0.00058 0.00000 154 8PX 0.00047 -0.00040 0.00000 0.00000 -0.00011 155 8PY 0.00039 -0.00295 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00073 0.00125 0.00000 157 9PX -0.00093 0.00056 0.00000 0.00000 -0.00006 158 9PY -0.00023 0.00502 0.00000 0.00000 -0.00017 159 9PZ 0.00000 0.00000 -0.00132 -0.00215 0.00000 160 10PX -0.00076 -0.00026 0.00000 0.00000 0.00192 161 10PY -0.00001 0.00258 0.00000 0.00000 0.00095 162 10PZ 0.00000 0.00000 -0.00123 -0.00081 0.00000 163 11XX -0.00043 -0.00071 0.00000 0.00000 -0.00105 164 11YY -0.00075 -0.00071 0.00000 0.00000 -0.00101 165 11ZZ -0.00063 -0.00070 0.00000 0.00000 -0.00105 166 11XY -0.00006 0.00000 0.00000 0.00000 -0.00003 167 11XZ 0.00000 0.00000 0.00001 0.00005 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00004 0.00000 169 12XX -0.00034 0.00053 0.00000 0.00000 -0.00328 170 12YY -0.00033 0.00086 0.00000 0.00000 -0.00356 171 12ZZ -0.00010 0.00046 0.00000 0.00000 -0.00333 172 12XY -0.00024 0.00017 0.00000 0.00000 0.00022 173 12XZ 0.00000 0.00000 -0.00006 -0.00010 0.00000 174 12YZ 0.00000 0.00000 -0.00003 -0.00021 0.00000 116 117 118 119 120 116 2S 4.75259 117 3S -2.59637 2.01410 118 4S -3.79644 2.98758 4.46558 119 5S -0.52233 0.07436 -0.07079 1.01474 120 6S -1.00701 0.49778 0.61991 0.64317 0.62910 121 7PX 0.00687 -0.01548 -0.01559 0.01692 -0.03100 122 7PY 0.00508 -0.01056 -0.01134 0.00996 -0.01181 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX -0.01218 0.01847 0.02935 -0.02043 -0.06659 125 8PY -0.01016 0.01476 0.02341 -0.01911 -0.04185 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX 0.00597 -0.01806 -0.04221 0.02315 0.17940 128 9PY 0.00869 -0.01714 -0.03603 0.02911 0.10400 129 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 10PX 0.09855 -0.08068 -0.13320 0.03486 0.10546 131 10PY 0.06462 -0.05547 -0.09184 0.03885 0.05377 132 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 11XX 1.82406 -1.13382 -1.66657 -0.15806 -0.36373 134 11YY 1.82420 -1.13441 -1.66727 -0.15129 -0.37934 135 11ZZ 1.82519 -1.13531 -1.66938 -0.14774 -0.38414 136 11XY -0.00122 0.00142 0.00294 -0.00879 0.01624 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.59410 -0.39180 -0.57982 -0.02074 -0.12839 140 12YY 0.59599 -0.39167 -0.57894 -0.02713 -0.12567 141 12ZZ 0.59240 -0.38773 -0.57229 -0.03338 -0.12340 142 12XY 0.00313 -0.00493 -0.00888 0.01153 -0.00236 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S -0.00007 0.00125 0.00013 -0.00447 0.01623 146 2S 0.00390 -0.00796 -0.00399 0.02040 -0.07889 147 3S -0.00796 0.00686 0.00523 -0.01356 0.05348 148 4S -0.00399 0.00523 0.00057 -0.02118 0.07863 149 5S 0.02040 -0.01356 -0.02119 0.00110 -0.00181 150 6S -0.07890 0.05349 0.07864 -0.00181 0.01796 151 7PX -0.00046 0.00097 0.00104 -0.00151 0.00277 152 7PY -0.00015 0.00048 0.00047 -0.00040 0.00166 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00090 -0.00133 -0.00201 0.00380 -0.00202 155 8PY 0.00002 0.00000 -0.00052 -0.00308 0.01086 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX -0.00028 0.00134 0.00235 -0.00632 0.00184 158 9PY 0.00082 -0.00071 0.00028 0.00730 -0.02556 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX -0.00991 0.00794 0.01222 -0.00687 0.00400 161 10PY -0.00444 0.00266 0.00478 0.00616 -0.01709 162 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 11XX 0.00709 -0.00547 -0.00484 0.00801 -0.03468 164 11YY 0.00697 -0.00543 -0.00473 0.00780 -0.03392 165 11ZZ 0.00708 -0.00539 -0.00483 0.00727 -0.03251 166 11XY 0.00015 -0.00007 -0.00022 -0.00032 0.00131 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.01619 -0.01094 -0.01528 0.00174 -0.01183 170 12YY 0.01754 -0.01195 -0.01674 0.00279 -0.01392 171 12ZZ 0.01644 -0.01120 -0.01570 0.00238 -0.01245 172 12XY -0.00105 0.00070 0.00110 0.00032 -0.00114 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 122 123 124 125 121 7PX 2.30243 122 7PY -0.00192 2.30346 123 7PZ 0.00000 0.00000 2.30488 124 8PX -0.85784 0.00584 0.00000 2.44747 125 8PY 0.00584 -0.86082 0.00000 -0.01761 2.45588 126 8PZ 0.00000 0.00000 -0.86501 0.00000 0.00000 127 9PX 0.05234 -0.01149 0.00000 -0.29689 0.03380 128 9PY -0.01145 0.05893 0.00000 0.03332 -0.31287 129 9PZ 0.00000 0.00000 0.06718 0.00000 0.00000 130 10PX 0.11335 -0.01686 0.00000 -0.26943 0.05182 131 10PY -0.01682 0.11734 0.00000 0.05561 -0.29562 132 10PZ 0.00000 0.00000 0.12998 0.00000 0.00000 133 11XX 0.01394 0.00704 0.00000 -0.01471 -0.00510 134 11YY 0.01058 0.00910 0.00000 -0.00526 -0.01074 135 11ZZ 0.01017 0.00654 0.00000 -0.00370 -0.00329 136 11XY 0.00200 0.00225 0.00000 -0.00602 -0.00677 137 11XZ 0.00000 0.00000 0.00170 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00138 0.00000 0.00000 139 12XX 0.00643 0.01154 0.00000 0.01947 -0.00967 140 12YY 0.01768 0.00199 0.00000 -0.00886 0.01422 141 12ZZ 0.01575 0.00909 0.00000 -0.00580 -0.00513 142 12XY -0.00279 -0.00468 0.00000 0.00843 0.01426 143 12XZ 0.00000 0.00000 -0.00653 0.00000 0.00000 144 12YZ 0.00000 0.00000 -0.00524 0.00000 0.00000 145 8 Br 1S -0.00001 0.00002 0.00000 0.00011 0.00000 146 2S 0.00046 0.00015 0.00000 -0.00090 -0.00002 147 3S -0.00098 -0.00048 0.00000 0.00133 0.00000 148 4S -0.00104 -0.00047 0.00000 0.00201 0.00052 149 5S 0.00151 0.00040 0.00000 -0.00380 0.00308 150 6S -0.00277 -0.00166 0.00000 0.00202 -0.01086 151 7PX 0.00027 0.00014 0.00000 -0.00085 -0.00040 152 7PY 0.00014 0.00004 0.00000 -0.00039 -0.00014 153 7PZ 0.00000 0.00000 -0.00027 0.00000 0.00000 154 8PX -0.00085 -0.00039 0.00000 0.00271 0.00108 155 8PY -0.00040 -0.00014 0.00000 0.00108 0.00054 156 8PZ 0.00000 0.00000 0.00086 0.00000 0.00000 157 9PX 0.00156 0.00079 0.00000 -0.00527 -0.00156 158 9PY 0.00088 0.00019 0.00000 -0.00198 -0.00101 159 9PZ 0.00000 0.00000 -0.00161 0.00000 0.00000 160 10PX 0.00217 0.00004 0.00000 -0.00457 -0.00419 161 10PY 0.00022 0.00040 0.00000 -0.00255 -0.00079 162 10PZ 0.00000 0.00000 -0.00161 0.00000 0.00000 163 11XX 0.00075 0.00046 0.00000 -0.00069 0.00004 164 11YY 0.00069 0.00040 0.00000 -0.00044 0.00010 165 11ZZ 0.00073 0.00047 0.00000 -0.00067 -0.00001 166 11XY -0.00001 0.00001 0.00000 0.00002 -0.00001 167 11XZ 0.00000 0.00000 -0.00009 0.00000 0.00000 168 11YZ 0.00000 0.00000 -0.00002 0.00000 0.00000 169 12XX 0.00105 0.00033 0.00000 -0.00103 0.00164 170 12YY 0.00107 0.00056 0.00000 -0.00168 0.00189 171 12ZZ 0.00097 0.00033 0.00000 -0.00069 0.00197 172 12XY 0.00007 -0.00012 0.00000 -0.00021 0.00003 173 12XZ 0.00000 0.00000 0.00019 0.00000 0.00000 174 12YZ 0.00000 0.00000 -0.00003 0.00000 0.00000 126 127 128 129 130 126 8PZ 2.46805 127 9PX 0.00000 0.64119 128 9PY 0.00000 -0.06239 0.66898 129 9PZ -0.33478 0.00000 0.00000 0.70634 130 10PX 0.00000 0.45197 -0.09569 0.00000 0.33008 131 10PY 0.00000 -0.10487 0.50531 0.00000 -0.11029 132 10PZ -0.34071 0.00000 0.00000 0.58882 0.00000 133 11XX 0.00000 0.01804 0.00381 0.00000 0.04861 134 11YY 0.00000 0.00031 0.01406 0.00000 0.04202 135 11ZZ 0.00000 -0.00258 0.00024 0.00000 0.04126 136 11XY 0.00000 0.01137 0.01262 0.00000 0.00262 137 11XZ -0.00491 0.00000 0.00000 0.00887 0.00000 138 11YZ -0.00399 0.00000 0.00000 0.00726 0.00000 139 12XX 0.00000 -0.04966 0.00806 0.00000 -0.01978 140 12YY 0.00000 -0.00042 -0.03315 0.00000 0.01782 141 12ZZ 0.00000 -0.00482 0.00113 0.00000 0.01176 142 12XY 0.00000 -0.01540 -0.02598 0.00000 -0.00836 143 12XZ 0.01796 0.00000 0.00000 -0.03167 0.00000 144 12YZ 0.01436 0.00000 0.00000 -0.02532 0.00000 145 8 Br 1S 0.00000 0.00006 0.00017 0.00000 -0.00192 146 2S 0.00000 0.00028 -0.00082 0.00000 0.00991 147 3S 0.00000 -0.00134 0.00071 0.00000 -0.00794 148 4S 0.00000 -0.00235 -0.00028 0.00000 -0.01222 149 5S 0.00000 0.00632 -0.00730 0.00000 0.00687 150 6S 0.00000 -0.00183 0.02556 0.00000 -0.00399 151 7PX 0.00000 0.00156 0.00088 0.00000 0.00217 152 7PY 0.00000 0.00079 0.00019 0.00000 0.00004 153 7PZ 0.00086 0.00000 0.00000 -0.00161 0.00000 154 8PX 0.00000 -0.00527 -0.00197 0.00000 -0.00457 155 8PY 0.00000 -0.00157 -0.00101 0.00000 -0.00419 156 8PZ -0.00270 0.00000 0.00000 0.00516 0.00000 157 9PX 0.00000 0.01047 0.00247 0.00000 0.00796 158 9PY 0.00000 0.00247 0.00209 0.00000 0.00913 159 9PZ 0.00516 0.00000 0.00000 -0.00993 0.00000 160 10PX 0.00000 0.00797 0.00913 0.00000 0.00531 161 10PY 0.00000 0.00468 0.00130 0.00000 0.00859 162 10PZ 0.00446 0.00000 0.00000 -0.00831 0.00000 163 11XX 0.00000 0.00055 -0.00051 0.00000 0.00502 164 11YY 0.00000 0.00021 -0.00069 0.00000 0.00366 165 11ZZ 0.00000 0.00051 -0.00040 0.00000 0.00484 166 11XY 0.00000 -0.00005 0.00002 0.00000 -0.00008 167 11XZ 0.00026 0.00000 0.00000 -0.00048 0.00000 168 11YZ 0.00008 0.00000 0.00000 -0.00012 0.00000 169 12XX 0.00000 0.00113 -0.00393 0.00000 0.00244 170 12YY 0.00000 0.00249 -0.00473 0.00000 0.00402 171 12ZZ 0.00000 0.00047 -0.00463 0.00000 0.00208 172 12XY 0.00000 0.00034 0.00008 0.00000 0.00059 173 12XZ -0.00052 0.00000 0.00000 0.00092 0.00000 174 12YZ -0.00003 0.00000 0.00000 0.00008 0.00000 131 132 133 134 135 131 10PY 0.39284 132 10PZ 0.00000 0.49480 133 11XX 0.02647 0.00000 2.71483 134 11YY 0.03432 0.00000 -0.25784 2.71559 135 11ZZ 0.02781 0.00000 -0.25763 -0.25751 2.71675 136 11XY 0.00494 0.00000 -0.00094 -0.00090 -0.00033 137 11XZ 0.00000 0.00654 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00507 0.00000 0.00000 0.00000 139 12XX 0.02112 0.00000 0.28533 0.22234 0.22438 140 12YY -0.01439 0.00000 0.21953 0.28848 0.22539 141 12ZZ 0.01128 0.00000 0.21808 0.22202 0.28776 142 12XY -0.01765 0.00000 0.00292 0.00239 0.00056 143 12XZ 0.00000 -0.02654 0.00000 0.00000 0.00000 144 12YZ 0.00000 -0.02113 0.00000 0.00000 0.00000 145 8 Br 1S -0.00095 0.00000 -0.00105 -0.00101 -0.00105 146 2S 0.00443 0.00000 0.00709 0.00697 0.00708 147 3S -0.00266 0.00000 -0.00547 -0.00543 -0.00539 148 4S -0.00478 0.00000 -0.00484 -0.00473 -0.00483 149 5S -0.00616 0.00000 0.00801 0.00780 0.00728 150 6S 0.01709 0.00000 -0.03468 -0.03393 -0.03252 151 7PX 0.00022 0.00000 -0.00075 -0.00069 -0.00073 152 7PY 0.00040 0.00000 -0.00046 -0.00040 -0.00047 153 7PZ 0.00000 -0.00161 0.00000 0.00000 0.00000 154 8PX -0.00255 0.00000 0.00069 0.00044 0.00067 155 8PY -0.00079 0.00000 -0.00004 -0.00010 0.00001 156 8PZ 0.00000 0.00446 0.00000 0.00000 0.00000 157 9PX 0.00468 0.00000 -0.00055 -0.00021 -0.00051 158 9PY 0.00130 0.00000 0.00051 0.00069 0.00040 159 9PZ 0.00000 -0.00831 0.00000 0.00000 0.00000 160 10PX 0.00859 0.00000 -0.00502 -0.00366 -0.00484 161 10PY 0.00019 0.00000 -0.00152 -0.00197 -0.00157 162 10PZ 0.00000 -0.00699 0.00000 0.00000 0.00000 163 11XX 0.00152 0.00000 0.00465 0.00461 0.00461 164 11YY 0.00197 0.00000 0.00461 0.00461 0.00457 165 11ZZ 0.00157 0.00000 0.00461 0.00457 0.00455 166 11XY -0.00021 0.00000 0.00004 0.00003 0.00004 167 11XZ 0.00000 -0.00039 0.00000 0.00000 0.00000 168 11YZ 0.00000 -0.00030 0.00000 0.00000 0.00000 169 12XX -0.00209 0.00000 0.00729 0.00735 0.00689 170 12YY -0.00291 0.00000 0.00797 0.00780 0.00756 171 12ZZ -0.00265 0.00000 0.00740 0.00743 0.00710 172 12XY 0.00009 0.00000 -0.00043 -0.00040 -0.00045 173 12XZ 0.00000 0.00081 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00006 0.00000 0.00000 0.00000 136 137 138 139 140 136 11XY 1.98204 137 11XZ 0.00000 1.98235 138 11YZ 0.00000 -0.00031 1.98248 139 12XX -0.00313 0.00000 0.00000 0.08878 140 12YY -0.00353 0.00000 0.00000 0.08315 0.08656 141 12ZZ -0.00546 0.00000 0.00000 0.08248 0.08223 142 12XY 0.04457 0.00000 0.00000 0.00249 0.00265 143 12XZ 0.00000 0.04303 0.00074 0.00000 0.00000 144 12YZ 0.00000 0.00073 0.04273 0.00000 0.00000 145 8 Br 1S -0.00003 0.00000 0.00000 -0.00328 -0.00356 146 2S 0.00015 0.00000 0.00000 0.01619 0.01754 147 3S -0.00007 0.00000 0.00000 -0.01094 -0.01195 148 4S -0.00022 0.00000 0.00000 -0.01528 -0.01674 149 5S -0.00032 0.00000 0.00000 0.00174 0.00279 150 6S 0.00131 0.00000 0.00000 -0.01183 -0.01392 151 7PX 0.00001 0.00000 0.00000 -0.00105 -0.00107 152 7PY -0.00001 0.00000 0.00000 -0.00033 -0.00056 153 7PZ 0.00000 0.00009 0.00002 0.00000 0.00000 154 8PX -0.00002 0.00000 0.00000 0.00103 0.00169 155 8PY 0.00001 0.00000 0.00000 -0.00165 -0.00189 156 8PZ 0.00000 -0.00026 -0.00008 0.00000 0.00000 157 9PX 0.00005 0.00000 0.00000 -0.00114 -0.00249 158 9PY -0.00002 0.00000 0.00000 0.00393 0.00473 159 9PZ 0.00000 0.00048 0.00012 0.00000 0.00000 160 10PX 0.00008 0.00000 0.00000 -0.00244 -0.00402 161 10PY 0.00021 0.00000 0.00000 0.00209 0.00291 162 10PZ 0.00000 0.00039 0.00030 0.00000 0.00000 163 11XX 0.00004 0.00000 0.00000 0.00729 0.00797 164 11YY 0.00003 0.00000 0.00000 0.00735 0.00780 165 11ZZ 0.00004 0.00000 0.00000 0.00689 0.00756 166 11XY 0.00000 0.00000 0.00000 -0.00024 -0.00019 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 -0.00001 0.00000 0.00000 169 12XX -0.00024 0.00000 0.00000 0.00387 0.00433 170 12YY -0.00019 0.00000 0.00000 0.00433 0.00506 171 12ZZ -0.00026 0.00000 0.00000 0.00402 0.00460 172 12XY 0.00001 0.00000 0.00000 0.00003 0.00005 173 12XZ 0.00000 0.00000 0.00002 0.00000 0.00000 174 12YZ 0.00000 0.00002 0.00004 0.00000 0.00000 141 142 143 144 145 141 12ZZ 0.08287 142 12XY 0.00086 0.00307 143 12XZ 0.00000 0.00000 0.00246 144 12YZ 0.00000 0.00000 0.00119 0.00186 145 8 Br 1S -0.00332 0.00022 0.00000 0.00000 2.39615 146 2S 0.01644 -0.00105 0.00000 0.00000 -1.27293 147 3S -0.01120 0.00070 0.00000 0.00000 0.48905 148 4S -0.01570 0.00110 0.00000 0.00000 0.74723 149 5S 0.00238 0.00032 0.00000 0.00000 0.14013 150 6S -0.01245 -0.00114 0.00000 0.00000 0.23071 151 7PX -0.00097 -0.00007 0.00000 0.00000 0.00008 152 7PY -0.00033 0.00012 0.00000 0.00000 0.00018 153 7PZ 0.00000 0.00000 -0.00019 0.00003 0.00000 154 8PX 0.00069 0.00021 0.00000 0.00000 -0.00147 155 8PY -0.00197 -0.00003 0.00000 0.00000 -0.00130 156 8PZ 0.00000 0.00000 0.00052 0.00003 0.00000 157 9PX -0.00047 -0.00034 0.00000 0.00000 -0.00036 158 9PY 0.00464 -0.00008 0.00000 0.00000 0.00054 159 9PZ 0.00000 0.00000 -0.00092 -0.00008 0.00000 160 10PX -0.00209 -0.00059 0.00000 0.00000 0.01897 161 10PY 0.00265 -0.00009 0.00000 0.00000 0.01216 162 10PZ 0.00000 0.00000 -0.00081 -0.00006 0.00000 163 11XX 0.00740 -0.00043 0.00000 0.00000 -0.39295 164 11YY 0.00743 -0.00040 0.00000 0.00000 -0.39292 165 11ZZ 0.00710 -0.00045 0.00000 0.00000 -0.39309 166 11XY -0.00026 0.00001 0.00000 0.00000 0.00017 167 11XZ 0.00000 0.00000 0.00000 0.00002 0.00000 168 11YZ 0.00000 0.00000 0.00002 0.00004 0.00000 169 12XX 0.00402 0.00003 0.00000 0.00000 -0.12498 170 12YY 0.00460 0.00005 0.00000 0.00000 -0.12553 171 12ZZ 0.00418 0.00007 0.00000 0.00000 -0.12496 172 12XY 0.00007 -0.00003 0.00000 0.00000 -0.00034 173 12XZ 0.00000 0.00000 -0.00005 -0.00006 0.00000 174 12YZ 0.00000 0.00000 -0.00006 -0.00002 0.00000 146 147 148 149 150 146 2S 4.75259 147 3S -2.59637 2.01410 148 4S -3.79644 2.98758 4.46558 149 5S -0.52233 0.07436 -0.07079 1.01474 150 6S -1.00702 0.49779 0.61992 0.64317 0.62910 151 7PX -0.00687 0.01548 0.01559 -0.01692 0.03100 152 7PY -0.00508 0.01056 0.01134 -0.00996 0.01181 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.01217 -0.01847 -0.02935 0.02043 0.06658 155 8PY 0.01017 -0.01477 -0.02341 0.01911 0.04186 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX -0.00597 0.01806 0.04220 -0.02315 -0.17939 158 9PY -0.00869 0.01714 0.03604 -0.02911 -0.10402 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX -0.09855 0.08067 0.13319 -0.03485 -0.10545 161 10PY -0.06463 0.05548 0.09186 -0.03885 -0.05378 162 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 11XX 1.82406 -1.13382 -1.66657 -0.15806 -0.36373 164 11YY 1.82420 -1.13441 -1.66727 -0.15130 -0.37934 165 11ZZ 1.82519 -1.13531 -1.66938 -0.14774 -0.38414 166 11XY -0.00122 0.00142 0.00294 -0.00880 0.01624 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.59410 -0.39180 -0.57982 -0.02075 -0.12839 170 12YY 0.59599 -0.39167 -0.57894 -0.02713 -0.12567 171 12ZZ 0.59240 -0.38773 -0.57229 -0.03338 -0.12340 172 12XY 0.00313 -0.00493 -0.00888 0.01153 -0.00236 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 152 153 154 155 151 7PX 2.30243 152 7PY -0.00192 2.30346 153 7PZ 0.00000 0.00000 2.30488 154 8PX -0.85784 0.00584 0.00000 2.44748 155 8PY 0.00584 -0.86082 0.00000 -0.01761 2.45588 156 8PZ 0.00000 0.00000 -0.86501 0.00000 0.00000 157 9PX 0.05234 -0.01149 0.00000 -0.29690 0.03381 158 9PY -0.01145 0.05892 0.00000 0.03332 -0.31286 159 9PZ 0.00000 0.00000 0.06718 0.00000 0.00000 160 10PX 0.11336 -0.01686 0.00000 -0.26945 0.05182 161 10PY -0.01682 0.11733 0.00000 0.05561 -0.29561 162 10PZ 0.00000 0.00000 0.12998 0.00000 0.00000 163 11XX -0.01394 -0.00704 0.00000 0.01471 0.00511 164 11YY -0.01058 -0.00910 0.00000 0.00526 0.01075 165 11ZZ -0.01017 -0.00654 0.00000 0.00370 0.00329 166 11XY -0.00200 -0.00225 0.00000 0.00602 0.00677 167 11XZ 0.00000 0.00000 -0.00169 0.00000 0.00000 168 11YZ 0.00000 0.00000 -0.00138 0.00000 0.00000 169 12XX -0.00643 -0.01154 0.00000 -0.01947 0.00967 170 12YY -0.01767 -0.00199 0.00000 0.00886 -0.01422 171 12ZZ -0.01575 -0.00909 0.00000 0.00580 0.00513 172 12XY 0.00279 0.00468 0.00000 -0.00844 -0.01426 173 12XZ 0.00000 0.00000 0.00653 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00524 0.00000 0.00000 156 157 158 159 160 156 8PZ 2.46805 157 9PX 0.00000 0.64120 158 9PY 0.00000 -0.06239 0.66896 159 9PZ -0.33478 0.00000 0.00000 0.70634 160 10PX 0.00000 0.45200 -0.09570 0.00000 0.33011 161 10PY 0.00000 -0.10487 0.50529 0.00000 -0.11030 162 10PZ -0.34071 0.00000 0.00000 0.58882 0.00000 163 11XX 0.00000 -0.01804 -0.00381 0.00000 -0.04861 164 11YY 0.00000 -0.00031 -0.01406 0.00000 -0.04202 165 11ZZ 0.00000 0.00258 -0.00024 0.00000 -0.04125 166 11XY 0.00000 -0.01137 -0.01262 0.00000 -0.00262 167 11XZ 0.00491 0.00000 0.00000 -0.00887 0.00000 168 11YZ 0.00399 0.00000 0.00000 -0.00726 0.00000 169 12XX 0.00000 0.04966 -0.00806 0.00000 0.01978 170 12YY 0.00000 0.00042 0.03316 0.00000 -0.01783 171 12ZZ 0.00000 0.00482 -0.00113 0.00000 -0.01176 172 12XY 0.00000 0.01541 0.02598 0.00000 0.00836 173 12XZ -0.01796 0.00000 0.00000 0.03167 0.00000 174 12YZ -0.01436 0.00000 0.00000 0.02532 0.00000 161 162 163 164 165 161 10PY 0.39282 162 10PZ 0.00000 0.49480 163 11XX -0.02647 0.00000 2.71483 164 11YY -0.03433 0.00000 -0.25784 2.71559 165 11ZZ -0.02781 0.00000 -0.25763 -0.25751 2.71675 166 11XY -0.00494 0.00000 -0.00094 -0.00090 -0.00033 167 11XZ 0.00000 -0.00654 0.00000 0.00000 0.00000 168 11YZ 0.00000 -0.00507 0.00000 0.00000 0.00000 169 12XX -0.02112 0.00000 0.28533 0.22234 0.22438 170 12YY 0.01440 0.00000 0.21953 0.28848 0.22539 171 12ZZ -0.01128 0.00000 0.21808 0.22202 0.28776 172 12XY 0.01764 0.00000 0.00292 0.00239 0.00056 173 12XZ 0.00000 0.02654 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.02113 0.00000 0.00000 0.00000 166 167 168 169 170 166 11XY 1.98204 167 11XZ 0.00000 1.98235 168 11YZ 0.00000 -0.00031 1.98248 169 12XX -0.00313 0.00000 0.00000 0.08878 170 12YY -0.00353 0.00000 0.00000 0.08315 0.08657 171 12ZZ -0.00546 0.00000 0.00000 0.08248 0.08223 172 12XY 0.04457 0.00000 0.00000 0.00249 0.00265 173 12XZ 0.00000 0.04303 0.00074 0.00000 0.00000 174 12YZ 0.00000 0.00073 0.04273 0.00000 0.00000 171 172 173 174 171 12ZZ 0.08287 172 12XY 0.00086 0.00307 173 12XZ 0.00000 0.00000 0.00246 174 12YZ 0.00000 0.00000 0.00119 0.00186 Full Mulliken population analysis: 1 2 3 4 5 1 1 Al 1S 2.12840 2 2S -0.13046 2.18957 3 2PX 0.00000 0.00000 2.00062 4 2PY 0.00000 0.00000 0.00000 2.00842 5 2PZ 0.00000 0.00000 0.00000 0.00000 1.99289 6 3S -0.00021 -0.02433 0.00000 0.00000 0.00000 7 3PX 0.00000 0.00000 -0.00260 0.00000 0.00000 8 3PY 0.00000 0.00000 0.00000 -0.00758 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.00213 10 4S 0.00024 -0.00352 0.00000 0.00000 0.00000 11 4PX 0.00000 0.00000 -0.00126 0.00000 0.00000 12 4PY 0.00000 0.00000 0.00000 -0.00062 0.00000 13 4PZ 0.00000 0.00000 0.00000 0.00000 -0.00114 14 5XX 0.00004 -0.00395 0.00000 0.00000 0.00000 15 5YY 0.00005 -0.00524 0.00000 0.00000 0.00000 16 5ZZ 0.00004 -0.00284 0.00000 0.00000 0.00000 17 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 18 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 19 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 20 2 Al 1S 0.00000 0.00000 0.00000 0.00000 0.00000 21 2S 0.00000 0.00000 0.00000 0.00000 0.00000 22 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 23 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 24 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 25 3S 0.00000 0.00001 0.00000 0.00000 0.00000 26 3PX 0.00000 0.00002 -0.00006 -0.00001 0.00000 27 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 28 3PZ 0.00000 0.00000 0.00000 0.00000 0.00001 29 4S 0.00000 0.00005 0.00013 0.00002 0.00000 30 4PX -0.00001 0.00020 0.00006 0.00002 0.00000 31 4PY 0.00000 -0.00002 0.00003 0.00000 0.00000 32 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 33 5XX 0.00000 0.00000 -0.00001 0.00000 0.00000 34 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 35 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 36 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 37 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 38 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 39 3 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 40 2S 0.00000 0.00000 0.00000 0.00000 0.00000 41 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 42 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 43 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 44 3S 0.00000 0.00000 -0.00003 0.00000 -0.00005 45 3PX 0.00000 -0.00022 -0.00015 -0.00004 -0.00029 46 3PY 0.00000 -0.00004 -0.00004 0.00000 -0.00005 47 3PZ 0.00000 -0.00021 -0.00026 -0.00004 -0.00020 48 4S 0.00001 -0.00018 -0.00009 -0.00001 -0.00018 49 4PX 0.00004 -0.00169 -0.00033 -0.00014 -0.00101 50 4PY 0.00001 -0.00028 -0.00015 -0.00006 -0.00016 51 4PZ 0.00006 -0.00188 -0.00097 -0.00015 -0.00060 52 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 53 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 54 5ZZ 0.00000 0.00000 -0.00001 0.00000 0.00000 55 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 56 5XZ 0.00000 -0.00001 0.00000 0.00000 -0.00001 57 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 59 2S 0.00000 0.00000 0.00000 0.00000 0.00000 60 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 61 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 62 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 63 3S 0.00000 0.00000 -0.00003 0.00000 -0.00005 64 3PX 0.00000 -0.00022 -0.00015 -0.00004 -0.00029 65 3PY 0.00000 -0.00004 -0.00004 0.00000 -0.00005 66 3PZ 0.00000 -0.00021 -0.00026 -0.00004 -0.00020 67 4S 0.00001 -0.00018 -0.00009 -0.00001 -0.00018 68 4PX 0.00004 -0.00169 -0.00033 -0.00014 -0.00101 69 4PY 0.00001 -0.00028 -0.00015 -0.00006 -0.00016 70 4PZ 0.00006 -0.00188 -0.00097 -0.00015 -0.00060 71 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 72 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 73 5ZZ 0.00000 0.00000 -0.00001 0.00000 0.00000 74 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 75 5XZ 0.00000 -0.00001 0.00000 0.00000 -0.00001 76 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 5 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2S 0.00000 0.00000 0.00000 0.00000 0.00000 79 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 80 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 81 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 3S 0.00000 -0.00008 0.00000 -0.00036 0.00000 83 3PX 0.00000 -0.00003 -0.00009 -0.00004 0.00000 84 3PY 0.00002 -0.00185 -0.00003 -0.00271 0.00000 85 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00012 86 4S 0.00000 0.00030 0.00000 -0.00015 0.00000 87 4PX 0.00000 -0.00012 -0.00046 -0.00008 0.00000 88 4PY 0.00021 -0.00737 -0.00007 -0.00419 0.00000 89 4PZ 0.00000 0.00000 0.00000 0.00000 -0.00062 90 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 91 5YY 0.00000 -0.00006 0.00000 -0.00006 0.00000 92 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 94 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 99 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 100 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 3S 0.00000 0.00000 0.00000 0.00000 0.00000 102 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 103 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 104 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4S 0.00000 0.00000 0.00000 0.00000 0.00000 106 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 107 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 108 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 109 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 110 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 111 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 7 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00000 0.00000 0.00000 0.00000 0.00000 117 3S 0.00000 0.00000 0.00000 0.00000 0.00000 118 4S 0.00000 0.00000 0.00000 0.00000 0.00000 119 5S 0.00000 -0.00004 -0.00010 -0.00007 0.00000 120 6S 0.00000 0.00053 0.00022 0.00010 0.00000 121 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 122 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX 0.00000 -0.00055 -0.00038 -0.00049 0.00000 128 9PY 0.00000 -0.00032 -0.00047 -0.00010 0.00000 129 9PZ 0.00000 0.00000 0.00000 0.00000 -0.00005 130 10PX 0.00015 -0.00615 -0.00123 -0.00221 0.00000 131 10PY 0.00010 -0.00361 -0.00211 -0.00020 0.00000 132 10PZ 0.00000 0.00000 0.00000 0.00000 -0.00063 133 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00000 -0.00034 -0.00015 -0.00026 0.00000 140 12YY 0.00000 -0.00013 -0.00020 -0.00001 0.00000 141 12ZZ 0.00000 0.00000 -0.00001 0.00000 0.00000 142 12XY 0.00001 -0.00043 -0.00020 -0.00006 0.00000 143 12XZ 0.00000 0.00000 0.00000 0.00000 -0.00004 144 12YZ 0.00000 0.00000 0.00000 0.00000 -0.00002 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3S 0.00000 0.00000 0.00000 0.00000 0.00000 148 4S 0.00000 0.00000 0.00000 0.00000 0.00000 149 5S 0.00000 0.00000 0.00000 0.00000 0.00000 150 6S 0.00000 0.00000 0.00000 0.00000 0.00000 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 158 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 164 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 165 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 7 8 9 10 6 3S 0.61154 7 3PX 0.00000 0.19531 8 3PY 0.00000 0.00000 0.24758 9 3PZ 0.00000 0.00000 0.00000 0.13324 10 4S -0.01793 0.00000 0.00000 0.00000 0.03776 11 4PX 0.00000 0.01153 0.00000 0.00000 0.00000 12 4PY 0.00000 0.00000 -0.00280 0.00000 0.00000 13 4PZ 0.00000 0.00000 0.00000 0.00912 0.00000 14 5XX -0.01180 0.00000 0.00000 0.00000 -0.00320 15 5YY 0.00415 0.00000 0.00000 0.00000 0.00459 16 5ZZ -0.03210 0.00000 0.00000 0.00000 0.00029 17 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 18 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 19 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 20 2 Al 1S 0.00000 0.00000 0.00000 0.00000 0.00000 21 2S 0.00001 0.00002 0.00000 0.00000 0.00005 22 2PX 0.00000 -0.00006 -0.00001 0.00000 0.00013 23 2PY 0.00000 -0.00001 0.00000 0.00000 0.00002 24 2PZ 0.00000 0.00000 0.00000 0.00001 0.00000 25 3S -0.00100 0.00019 0.00004 0.00000 0.00318 26 3PX 0.00019 0.00423 0.00088 0.00000 -0.00510 27 3PY 0.00004 0.00088 -0.00001 0.00000 -0.00078 28 3PZ 0.00000 0.00000 0.00000 -0.00098 0.00000 29 4S 0.00318 -0.00510 -0.00078 0.00000 -0.00912 30 4PX 0.00278 -0.00228 0.00008 0.00000 -0.01100 31 4PY 0.00086 -0.00047 0.00084 0.00000 -0.00176 32 4PZ 0.00000 0.00000 0.00000 -0.00037 0.00000 33 5XX 0.00063 0.00183 0.00054 0.00000 0.00016 34 5YY 0.00008 0.00004 -0.00002 0.00000 -0.00033 35 5ZZ -0.00022 -0.00045 -0.00007 0.00000 -0.00017 36 5XY 0.00012 0.00076 0.00000 0.00000 0.00007 37 5XZ 0.00000 0.00000 0.00000 -0.00020 0.00000 38 5YZ 0.00000 0.00000 0.00000 -0.00003 0.00000 39 3 Cl 1S 0.00000 0.00001 0.00000 0.00001 -0.00003 40 2S 0.00009 -0.00029 -0.00004 -0.00050 0.00092 41 2PX -0.00032 -0.00025 -0.00010 -0.00061 0.00018 42 2PY -0.00005 -0.00010 -0.00003 -0.00010 0.00003 43 2PZ -0.00028 -0.00060 -0.00009 -0.00032 0.00003 44 3S -0.00296 0.00309 0.00042 0.00471 -0.00413 45 3PX 0.01175 0.00678 0.00316 0.02042 -0.00028 46 3PY 0.00193 0.00323 0.00127 0.00323 -0.00009 47 3PZ 0.01214 0.01994 0.00309 0.00933 -0.00134 48 4S -0.00402 -0.00296 -0.00060 0.00044 -0.00471 49 4PX 0.01424 0.00261 0.00268 0.01715 -0.00236 50 4PY 0.00241 0.00277 0.00176 0.00269 -0.00035 51 4PZ 0.01453 0.01663 0.00253 0.00541 -0.00192 52 5XX 0.00013 -0.00035 0.00006 0.00025 0.00005 53 5YY -0.00031 -0.00018 -0.00007 -0.00017 0.00010 54 5ZZ 0.00071 0.00138 0.00021 0.00024 -0.00018 55 5XY 0.00006 0.00002 0.00005 0.00006 0.00000 56 5XZ 0.00073 0.00023 0.00013 0.00043 0.00001 57 5YZ 0.00011 0.00013 0.00007 0.00007 0.00000 58 4 Cl 1S 0.00000 0.00001 0.00000 0.00001 -0.00003 59 2S 0.00009 -0.00029 -0.00004 -0.00050 0.00092 60 2PX -0.00032 -0.00025 -0.00010 -0.00061 0.00018 61 2PY -0.00005 -0.00010 -0.00003 -0.00010 0.00003 62 2PZ -0.00028 -0.00060 -0.00009 -0.00032 0.00003 63 3S -0.00296 0.00309 0.00042 0.00470 -0.00413 64 3PX 0.01174 0.00678 0.00316 0.02041 -0.00028 65 3PY 0.00193 0.00322 0.00127 0.00323 -0.00009 66 3PZ 0.01214 0.01993 0.00309 0.00933 -0.00133 67 4S -0.00402 -0.00296 -0.00060 0.00044 -0.00471 68 4PX 0.01424 0.00261 0.00268 0.01715 -0.00236 69 4PY 0.00241 0.00277 0.00176 0.00268 -0.00035 70 4PZ 0.01452 0.01662 0.00253 0.00541 -0.00192 71 5XX 0.00013 -0.00035 0.00006 0.00025 0.00005 72 5YY -0.00031 -0.00018 -0.00007 -0.00017 0.00010 73 5ZZ 0.00071 0.00138 0.00021 0.00024 -0.00018 74 5XY 0.00006 0.00002 0.00005 0.00006 0.00000 75 5XZ 0.00073 0.00023 0.00013 0.00043 0.00001 76 5YZ 0.00011 0.00013 0.00007 0.00007 0.00000 77 5 Cl 1S 0.00000 0.00000 0.00006 0.00000 -0.00006 78 2S -0.00015 -0.00002 -0.00212 0.00000 0.00189 79 2PX -0.00001 -0.00026 -0.00006 0.00000 -0.00002 80 2PY -0.00179 -0.00004 -0.00354 0.00000 0.00009 81 2PZ 0.00000 0.00000 0.00000 -0.00033 0.00000 82 3S -0.00097 0.00015 0.01900 0.00000 -0.00755 83 3PX 0.00030 0.00969 0.00179 0.00000 0.00101 84 3PY 0.06458 0.00113 0.09573 0.00000 -0.00157 85 3PZ 0.00000 0.00000 0.00000 0.01224 0.00000 86 4S -0.01722 -0.00003 -0.01613 0.00000 -0.00369 87 4PX 0.00022 0.01285 0.00129 0.00000 0.00156 88 4PY 0.06030 0.00087 0.05017 0.00000 -0.00155 89 4PZ 0.00000 0.00000 0.00000 0.01797 0.00000 90 5XX -0.00079 -0.00002 -0.00111 0.00000 0.00014 91 5YY 0.00498 0.00009 0.00561 0.00000 -0.00042 92 5ZZ -0.00083 -0.00002 -0.00116 0.00000 0.00007 93 5XY 0.00004 0.00047 0.00012 0.00000 0.00001 94 5XZ 0.00000 0.00000 0.00000 0.00001 0.00000 95 5YZ 0.00000 0.00000 0.00000 0.00049 0.00000 96 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2S 0.00000 0.00000 0.00000 0.00000 -0.00002 98 2PX 0.00000 0.00000 0.00000 0.00000 0.00001 99 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 100 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 3S 0.00000 0.00000 0.00000 0.00000 0.00009 102 3PX 0.00000 -0.00001 -0.00001 0.00000 -0.00052 103 3PY 0.00000 0.00000 0.00000 0.00000 0.00017 104 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4S 0.00000 0.00006 -0.00002 0.00000 -0.00004 106 4PX -0.00001 -0.00007 -0.00010 0.00000 -0.00132 107 4PY 0.00002 0.00006 -0.00003 0.00000 0.00032 108 4PZ 0.00000 0.00000 0.00000 0.00003 0.00000 109 5XX 0.00000 0.00000 0.00000 0.00000 -0.00001 110 5YY 0.00000 0.00000 0.00000 0.00000 0.00002 111 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 5XY 0.00000 0.00000 0.00000 0.00000 -0.00001 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 7 Br 1S 0.00000 -0.00001 0.00000 0.00000 -0.00007 116 2S -0.00010 0.00024 0.00013 0.00000 0.00230 117 3S 0.00018 -0.00073 -0.00042 0.00000 -0.00410 118 4S 0.00071 -0.00227 -0.00131 0.00000 -0.01124 119 5S 0.00085 0.01016 0.00657 0.00000 -0.00199 120 6S -0.02318 -0.02103 -0.01382 0.00000 -0.01174 121 7PX 0.00002 0.00002 0.00004 0.00000 -0.00001 122 7PY 0.00001 0.00003 0.00001 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00001 0.00000 124 8PX -0.00167 -0.00135 -0.00218 0.00000 -0.00015 125 8PY -0.00117 -0.00200 -0.00030 0.00000 0.00029 126 8PZ 0.00000 0.00000 0.00000 -0.00045 0.00000 127 9PX 0.02846 0.01795 0.03195 0.00000 0.00564 128 9PY 0.02075 0.02931 0.00346 0.00000 -0.00490 129 9PZ 0.00000 0.00000 0.00000 0.00816 0.00000 130 10PX 0.05073 0.01351 0.04003 0.00000 0.01162 131 10PY 0.03786 0.03635 0.00059 0.00000 -0.01216 132 10PZ 0.00000 0.00000 0.00000 0.02016 0.00000 133 11XX -0.00048 0.00051 0.00002 0.00000 0.00386 134 11YY -0.00035 0.00049 0.00044 0.00000 0.00502 135 11ZZ 0.00012 0.00083 0.00048 0.00000 0.00431 136 11XY -0.00017 -0.00012 -0.00005 0.00000 -0.00001 137 11XZ 0.00000 0.00000 0.00000 -0.00002 0.00000 138 11YZ 0.00000 0.00000 0.00000 -0.00002 0.00000 139 12XX 0.00556 0.00376 0.00663 0.00000 0.00751 140 12YY 0.00316 0.00609 0.00087 0.00000 0.00515 141 12ZZ -0.00027 0.00180 0.00115 0.00000 0.00562 142 12XY 0.00434 0.00179 0.00053 0.00000 -0.00009 143 12XZ 0.00000 0.00000 0.00000 0.00093 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00055 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3S 0.00000 0.00000 0.00000 0.00000 0.00001 148 4S 0.00000 0.00000 0.00000 0.00000 0.00002 149 5S 0.00000 0.00000 0.00000 0.00000 0.00009 150 6S -0.00001 0.00007 0.00000 0.00000 -0.00015 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00000 -0.00001 0.00000 0.00000 -0.00027 158 9PY 0.00000 0.00000 0.00000 0.00000 0.00003 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX -0.00001 -0.00015 0.00000 0.00000 -0.00126 161 10PY 0.00000 0.00001 0.00001 0.00000 0.00010 162 10PZ 0.00000 0.00000 0.00000 0.00003 0.00000 163 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 164 11YY 0.00000 0.00000 0.00000 0.00000 -0.00003 165 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 -0.00001 0.00000 0.00000 -0.00005 170 12YY 0.00000 0.00000 0.00000 0.00000 0.00004 171 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 11 12 13 14 15 11 4PX 0.04390 12 4PY 0.00000 0.02400 13 4PZ 0.00000 0.00000 0.02010 14 5XX 0.00000 0.00000 0.00000 0.01413 15 5YY 0.00000 0.00000 0.00000 -0.00410 0.01904 16 5ZZ 0.00000 0.00000 0.00000 0.00091 -0.00234 17 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 18 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 19 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 20 2 Al 1S -0.00001 0.00000 0.00000 0.00000 0.00000 21 2S 0.00020 -0.00002 0.00000 0.00000 0.00000 22 2PX 0.00006 0.00003 0.00000 -0.00001 0.00000 23 2PY 0.00002 0.00000 0.00000 0.00000 0.00000 24 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 25 3S 0.00278 0.00086 0.00000 0.00063 0.00008 26 3PX -0.00227 -0.00047 0.00000 0.00183 0.00004 27 3PY 0.00008 0.00084 0.00000 0.00054 -0.00002 28 3PZ 0.00000 0.00000 -0.00037 0.00000 0.00000 29 4S -0.01100 -0.00177 0.00000 0.00016 -0.00033 30 4PX -0.00498 -0.00187 0.00000 -0.00040 -0.00067 31 4PY -0.00187 0.00152 0.00000 0.00020 -0.00022 32 4PZ 0.00000 0.00000 0.00075 0.00000 0.00000 33 5XX -0.00040 0.00020 0.00000 0.00021 -0.00005 34 5YY -0.00067 -0.00022 0.00000 -0.00005 -0.00001 35 5ZZ 0.00049 0.00005 0.00000 0.00000 0.00001 36 5XY 0.00017 0.00007 0.00000 0.00030 -0.00001 37 5XZ 0.00000 0.00000 -0.00018 0.00000 0.00000 38 5YZ 0.00000 0.00000 -0.00003 0.00000 0.00000 39 3 Cl 1S -0.00002 0.00000 -0.00002 0.00000 0.00000 40 2S 0.00079 0.00013 0.00074 -0.00001 0.00001 41 2PX -0.00002 0.00002 0.00008 0.00001 0.00001 42 2PY 0.00001 -0.00009 0.00001 -0.00002 -0.00001 43 2PZ 0.00005 0.00001 0.00000 -0.00009 0.00001 44 3S -0.00451 -0.00066 -0.00392 0.00017 -0.00030 45 3PX 0.00069 0.00015 -0.00136 -0.00063 -0.00087 46 3PY 0.00027 0.00398 -0.00020 0.00082 0.00031 47 3PZ -0.00107 -0.00029 0.00023 0.00386 -0.00085 48 4S -0.00638 -0.00109 -0.00610 0.00027 -0.00077 49 4PX 0.00260 -0.00013 -0.00252 -0.00066 -0.00233 50 4PY 0.00006 0.00640 -0.00041 0.00121 -0.00028 51 4PZ -0.00203 -0.00042 0.00167 0.00464 -0.00210 52 5XX 0.00005 0.00002 0.00019 -0.00002 0.00001 53 5YY 0.00016 0.00002 0.00015 -0.00004 0.00001 54 5ZZ -0.00012 -0.00003 -0.00028 0.00022 -0.00004 55 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 56 5XZ 0.00000 0.00000 0.00000 -0.00005 -0.00003 57 5YZ 0.00000 0.00004 0.00000 0.00001 0.00001 58 4 Cl 1S -0.00002 0.00000 -0.00002 0.00000 0.00000 59 2S 0.00079 0.00013 0.00074 -0.00001 0.00001 60 2PX -0.00002 0.00002 0.00008 0.00001 0.00001 61 2PY 0.00001 -0.00009 0.00001 -0.00002 -0.00001 62 2PZ 0.00005 0.00001 0.00000 -0.00009 0.00001 63 3S -0.00451 -0.00066 -0.00392 0.00017 -0.00030 64 3PX 0.00069 0.00015 -0.00136 -0.00063 -0.00087 65 3PY 0.00027 0.00398 -0.00020 0.00082 0.00031 66 3PZ -0.00107 -0.00029 0.00023 0.00386 -0.00085 67 4S -0.00638 -0.00109 -0.00610 0.00027 -0.00077 68 4PX 0.00260 -0.00013 -0.00252 -0.00065 -0.00233 69 4PY 0.00006 0.00640 -0.00041 0.00121 -0.00028 70 4PZ -0.00203 -0.00042 0.00167 0.00464 -0.00210 71 5XX 0.00005 0.00002 0.00019 -0.00002 0.00001 72 5YY 0.00016 0.00002 0.00015 -0.00004 0.00001 73 5ZZ -0.00012 -0.00003 -0.00028 0.00022 -0.00004 74 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 75 5XZ 0.00000 0.00000 0.00000 -0.00005 -0.00003 76 5YZ 0.00000 0.00004 0.00000 0.00001 0.00001 77 5 Cl 1S 0.00000 -0.00007 0.00000 0.00000 0.00002 78 2S -0.00007 0.00209 0.00000 0.00001 -0.00087 79 2PX -0.00040 0.00000 0.00000 0.00000 -0.00004 80 2PY 0.00000 0.00011 0.00000 0.00002 -0.00115 81 2PZ 0.00000 0.00000 -0.00024 0.00000 0.00000 82 3S 0.00009 -0.00769 0.00000 -0.00065 0.00942 83 3PX 0.01911 0.00009 0.00000 0.00012 0.00113 84 3PY 0.00019 -0.00293 0.00000 -0.00357 0.02500 85 3PZ 0.00000 0.00000 0.01030 0.00000 0.00000 86 4S -0.00004 -0.00821 0.00000 -0.00033 0.00339 87 4PX 0.02927 0.00022 0.00000 -0.00002 0.00081 88 4PY 0.00022 -0.00179 0.00000 -0.00782 0.01360 89 4PZ 0.00000 0.00000 0.01591 0.00000 0.00000 90 5XX -0.00003 0.00034 0.00000 0.00003 -0.00024 91 5YY 0.00005 -0.00039 0.00000 -0.00011 0.00116 92 5ZZ 0.00000 0.00024 0.00000 0.00001 -0.00023 93 5XY 0.00019 0.00000 0.00000 0.00001 0.00006 94 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 5YZ 0.00000 0.00000 0.00011 0.00000 0.00000 96 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2S -0.00001 -0.00005 0.00000 0.00000 0.00000 98 2PX 0.00001 0.00000 0.00000 0.00000 0.00000 99 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 100 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 3S 0.00007 0.00018 0.00000 0.00000 0.00000 102 3PX -0.00059 -0.00019 0.00000 0.00000 0.00000 103 3PY 0.00001 0.00006 0.00000 0.00000 0.00000 104 3PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 105 4S 0.00006 -0.00018 0.00000 0.00001 -0.00001 106 4PX -0.00109 -0.00042 0.00000 -0.00001 -0.00001 107 4PY 0.00003 -0.00008 0.00000 -0.00001 -0.00002 108 4PZ 0.00000 0.00000 -0.00005 0.00000 0.00000 109 5XX -0.00001 0.00000 0.00000 0.00000 0.00000 110 5YY 0.00001 0.00001 0.00000 0.00000 0.00000 111 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 5XY -0.00001 0.00000 0.00000 0.00000 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 7 Br 1S -0.00005 -0.00006 0.00000 0.00000 0.00000 116 2S 0.00151 0.00193 0.00000 0.00003 0.00000 117 3S -0.00281 -0.00351 0.00000 -0.00009 -0.00001 118 4S -0.00763 -0.00954 0.00000 -0.00033 -0.00003 119 5S 0.00244 0.00099 0.00000 0.00132 0.00010 120 6S -0.01116 -0.00927 0.00000 0.00142 0.00019 121 7PX 0.00000 -0.00001 0.00000 0.00000 0.00001 122 7PY 0.00000 0.00000 0.00000 0.00001 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00009 -0.00023 0.00000 0.00010 -0.00023 125 8PY -0.00040 -0.00016 0.00000 -0.00047 0.00014 126 8PZ 0.00000 0.00000 -0.00061 0.00000 0.00000 127 9PX -0.00075 0.00518 0.00000 -0.00216 0.00386 128 9PY 0.00733 0.00343 0.00000 0.00777 -0.00224 129 9PZ 0.00000 0.00000 0.01072 0.00000 0.00000 130 10PX 0.00305 0.00926 0.00000 -0.00372 0.00817 131 10PY 0.01320 0.01225 0.00000 0.01278 -0.00499 132 10PZ 0.00000 0.00000 0.02612 0.00000 0.00000 133 11XX 0.00345 0.00326 0.00000 0.00013 0.00001 134 11YY 0.00220 0.00395 0.00000 0.00008 0.00002 135 11ZZ 0.00284 0.00353 0.00000 0.00006 0.00000 136 11XY 0.00000 0.00000 0.00000 0.00001 0.00002 137 11XZ 0.00000 0.00000 -0.00001 0.00000 0.00000 138 11YZ 0.00000 0.00000 -0.00001 0.00000 0.00000 139 12XX 0.00239 0.00659 0.00000 -0.00006 0.00057 140 12YY 0.00638 0.00275 0.00000 0.00084 -0.00012 141 12ZZ 0.00409 0.00454 0.00000 0.00007 0.00001 142 12XY 0.00001 0.00006 0.00000 0.00029 -0.00012 143 12XZ 0.00000 0.00000 0.00034 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00024 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S -0.00004 0.00000 0.00000 0.00000 0.00000 147 3S 0.00007 0.00001 0.00000 0.00000 0.00000 148 4S 0.00021 0.00002 0.00000 0.00000 0.00000 149 5S 0.00014 0.00000 0.00000 0.00000 0.00000 150 6S 0.00017 0.00000 0.00000 0.00000 0.00000 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00001 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX -0.00064 0.00002 0.00000 0.00000 0.00000 158 9PY 0.00003 0.00009 0.00000 0.00000 0.00000 159 9PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 160 10PX -0.00208 0.00007 0.00000 -0.00007 0.00000 161 10PY 0.00011 0.00035 0.00000 0.00000 0.00000 162 10PZ 0.00000 0.00000 -0.00005 0.00000 0.00000 163 11XX -0.00007 -0.00001 0.00000 0.00000 0.00000 164 11YY -0.00012 -0.00001 0.00000 0.00000 0.00000 165 11ZZ -0.00007 -0.00001 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX -0.00030 -0.00002 0.00000 0.00000 0.00000 170 12YY -0.00009 -0.00001 0.00000 0.00000 0.00000 171 12ZZ -0.00012 -0.00001 0.00000 0.00000 0.00000 172 12XY 0.00000 0.00001 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 17 18 19 20 16 5ZZ 0.01159 17 5XY 0.00000 0.01847 18 5XZ 0.00000 0.00000 0.01513 19 5YZ 0.00000 0.00000 0.00000 0.01162 20 2 Al 1S 0.00000 0.00000 0.00000 0.00000 2.12840 21 2S 0.00000 0.00000 0.00000 0.00000 -0.13046 22 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 23 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 24 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 25 3S -0.00022 0.00012 0.00000 0.00000 -0.00021 26 3PX -0.00045 0.00076 0.00000 0.00000 0.00000 27 3PY -0.00007 0.00000 0.00000 0.00000 0.00000 28 3PZ 0.00000 0.00000 -0.00020 -0.00003 0.00000 29 4S -0.00017 0.00007 0.00000 0.00000 0.00024 30 4PX 0.00049 0.00017 0.00000 0.00000 0.00000 31 4PY 0.00005 0.00007 0.00000 0.00000 0.00000 32 4PZ 0.00000 0.00000 -0.00018 -0.00003 0.00000 33 5XX 0.00000 0.00030 0.00000 0.00000 0.00004 34 5YY 0.00001 -0.00001 0.00000 0.00000 0.00005 35 5ZZ -0.00001 -0.00001 0.00000 0.00000 0.00004 36 5XY -0.00001 0.00002 0.00000 0.00000 0.00000 37 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 38 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 39 3 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 40 2S -0.00010 -0.00003 -0.00020 -0.00003 0.00000 41 2PX -0.00011 -0.00004 -0.00015 -0.00005 0.00000 42 2PY -0.00002 0.00000 -0.00005 0.00000 0.00000 43 2PZ 0.00001 -0.00006 -0.00020 -0.00003 0.00000 44 3S 0.00181 0.00035 0.00278 0.00045 0.00000 45 3PX 0.00467 0.00111 0.00472 0.00191 0.00000 46 3PY 0.00076 0.00045 0.00189 0.00050 0.00000 47 3PZ -0.00060 0.00208 0.00641 0.00103 0.00000 48 4S 0.00179 0.00027 0.00197 0.00032 0.00001 49 4PX 0.00543 0.00045 0.00158 0.00132 0.00004 50 4PY 0.00088 0.00084 0.00130 0.00119 0.00001 51 4PZ -0.00057 0.00130 0.00277 0.00045 0.00006 52 5XX -0.00002 -0.00003 -0.00004 0.00001 0.00000 53 5YY 0.00000 -0.00001 -0.00007 -0.00001 0.00000 54 5ZZ -0.00003 0.00013 0.00017 0.00003 0.00000 55 5XY -0.00001 0.00000 0.00003 0.00000 0.00000 56 5XZ 0.00010 0.00003 0.00019 0.00006 0.00000 57 5YZ 0.00002 0.00001 0.00006 0.00001 0.00000 58 4 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 59 2S -0.00010 -0.00003 -0.00020 -0.00003 0.00000 60 2PX -0.00011 -0.00004 -0.00015 -0.00005 0.00000 61 2PY -0.00002 0.00000 -0.00005 0.00000 0.00000 62 2PZ 0.00000 -0.00006 -0.00020 -0.00003 0.00000 63 3S 0.00181 0.00035 0.00278 0.00045 0.00000 64 3PX 0.00467 0.00111 0.00472 0.00191 0.00000 65 3PY 0.00076 0.00045 0.00189 0.00050 0.00000 66 3PZ -0.00060 0.00208 0.00641 0.00103 0.00000 67 4S 0.00179 0.00027 0.00197 0.00032 0.00001 68 4PX 0.00543 0.00045 0.00158 0.00132 0.00004 69 4PY 0.00088 0.00084 0.00130 0.00119 0.00001 70 4PZ -0.00056 0.00130 0.00277 0.00045 0.00006 71 5XX -0.00002 -0.00003 -0.00004 0.00001 0.00000 72 5YY 0.00000 -0.00001 -0.00007 -0.00001 0.00000 73 5ZZ -0.00003 0.00013 0.00017 0.00003 0.00000 74 5XY -0.00001 0.00000 0.00003 0.00000 0.00000 75 5XZ 0.00010 0.00003 0.00019 0.00006 0.00000 76 5YZ 0.00002 0.00001 0.00006 0.00001 0.00000 77 5 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2S 0.00000 -0.00003 0.00000 0.00000 0.00000 79 2PX 0.00000 -0.00020 0.00000 0.00000 0.00000 80 2PY 0.00001 -0.00007 0.00000 0.00000 0.00000 81 2PZ 0.00000 0.00000 0.00000 -0.00022 0.00000 82 3S -0.00046 0.00030 0.00000 0.00000 0.00000 83 3PX -0.00004 0.00874 0.00000 0.00000 0.00000 84 3PY -0.00249 0.00159 0.00000 0.00000 0.00000 85 3PZ 0.00000 0.00000 0.00014 0.00932 0.00000 86 4S 0.00000 0.00010 0.00000 0.00000 0.00000 87 4PX -0.00013 0.00958 0.00000 0.00000 0.00000 88 4PY -0.00557 0.00060 0.00000 0.00000 0.00000 89 4PZ 0.00000 0.00000 0.00012 0.01038 0.00000 90 5XX 0.00001 0.00000 0.00000 0.00000 0.00000 91 5YY -0.00010 0.00008 0.00000 0.00000 0.00000 92 5ZZ 0.00003 -0.00001 0.00000 0.00000 0.00000 93 5XY 0.00000 0.00022 0.00000 0.00000 0.00000 94 5XZ 0.00000 0.00000 0.00001 0.00001 0.00000 95 5YZ 0.00000 0.00000 0.00000 0.00030 0.00000 96 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 99 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 100 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 3S 0.00000 0.00000 0.00000 0.00000 0.00000 102 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 103 3PY 0.00000 0.00000 0.00000 0.00000 0.00002 104 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4S 0.00000 0.00000 0.00000 0.00000 0.00000 106 4PX 0.00000 -0.00002 0.00000 0.00000 0.00000 107 4PY 0.00001 -0.00001 0.00000 0.00000 0.00021 108 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 109 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 110 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 111 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 7 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00000 0.00004 0.00000 0.00000 0.00000 117 3S 0.00000 -0.00018 0.00000 0.00000 0.00000 118 4S 0.00001 -0.00072 0.00000 0.00000 0.00000 119 5S -0.00025 0.00342 0.00000 0.00000 0.00000 120 6S 0.00040 0.00114 0.00000 0.00000 0.00000 121 7PX 0.00000 0.00001 0.00000 0.00000 0.00000 122 7PY 0.00000 0.00001 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00001 -0.00078 0.00000 0.00000 0.00000 125 8PY 0.00000 -0.00031 0.00000 0.00000 0.00000 126 8PZ 0.00000 0.00000 -0.00015 -0.00009 0.00000 127 9PX -0.00094 0.01043 0.00000 0.00000 0.00000 128 9PY -0.00049 0.00369 0.00000 0.00000 0.00000 129 9PZ 0.00000 0.00000 0.00355 0.00199 0.00000 130 10PX -0.00450 0.00571 0.00000 0.00000 0.00000 131 10PY -0.00212 0.00119 0.00000 0.00000 0.00000 132 10PZ 0.00000 0.00000 0.00674 0.00400 0.00000 133 11XX 0.00000 0.00015 0.00000 0.00000 0.00000 134 11YY 0.00000 0.00017 0.00000 0.00000 0.00000 135 11ZZ -0.00001 0.00014 0.00000 0.00000 0.00000 136 11XY 0.00000 -0.00003 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 -0.00001 -0.00001 0.00000 138 11YZ 0.00000 0.00000 -0.00001 0.00000 0.00000 139 12XX -0.00027 0.00099 0.00000 0.00000 0.00000 140 12YY -0.00016 0.00023 0.00000 0.00000 0.00000 141 12ZZ -0.00004 0.00011 0.00000 0.00000 0.00000 142 12XY -0.00020 0.00045 0.00000 0.00000 0.00000 143 12XZ 0.00000 0.00000 0.00024 0.00032 0.00000 144 12YZ 0.00000 0.00000 0.00024 0.00007 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3S 0.00000 0.00000 0.00000 0.00000 0.00000 148 4S 0.00000 0.00000 0.00000 0.00000 0.00000 149 5S 0.00000 0.00000 0.00000 0.00000 0.00000 150 6S 0.00000 0.00000 0.00000 0.00000 0.00000 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 158 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX 0.00001 0.00000 0.00000 0.00000 0.00015 161 10PY 0.00000 0.00000 0.00000 0.00000 0.00010 162 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 164 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 165 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 12XY 0.00000 0.00000 0.00000 0.00000 0.00001 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 21 22 23 24 25 21 2S 2.18957 22 2PX 0.00000 2.00062 23 2PY 0.00000 0.00000 2.00842 24 2PZ 0.00000 0.00000 0.00000 1.99289 25 3S -0.02432 0.00000 0.00000 0.00000 0.61154 26 3PX 0.00000 -0.00260 0.00000 0.00000 0.00000 27 3PY 0.00000 0.00000 -0.00758 0.00000 0.00000 28 3PZ 0.00000 0.00000 0.00000 0.00213 0.00000 29 4S -0.00352 0.00000 0.00000 0.00000 -0.01793 30 4PX 0.00000 -0.00126 0.00000 0.00000 0.00000 31 4PY 0.00000 0.00000 -0.00062 0.00000 0.00000 32 4PZ 0.00000 0.00000 0.00000 -0.00114 0.00000 33 5XX -0.00395 0.00000 0.00000 0.00000 -0.01180 34 5YY -0.00524 0.00000 0.00000 0.00000 0.00415 35 5ZZ -0.00284 0.00000 0.00000 0.00000 -0.03210 36 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 37 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 38 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 39 3 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 40 2S 0.00000 0.00000 0.00000 0.00000 0.00009 41 2PX 0.00000 0.00000 0.00000 0.00000 -0.00032 42 2PY 0.00000 0.00000 0.00000 0.00000 -0.00005 43 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00028 44 3S 0.00000 -0.00003 0.00000 -0.00005 -0.00296 45 3PX -0.00022 -0.00015 -0.00004 -0.00029 0.01175 46 3PY -0.00004 -0.00004 0.00000 -0.00005 0.00193 47 3PZ -0.00021 -0.00026 -0.00004 -0.00020 0.01214 48 4S -0.00018 -0.00009 -0.00001 -0.00018 -0.00402 49 4PX -0.00169 -0.00033 -0.00014 -0.00101 0.01424 50 4PY -0.00028 -0.00015 -0.00006 -0.00016 0.00240 51 4PZ -0.00188 -0.00097 -0.00015 -0.00060 0.01452 52 5XX 0.00000 0.00000 0.00000 0.00000 0.00013 53 5YY 0.00000 0.00000 0.00000 0.00000 -0.00031 54 5ZZ 0.00000 -0.00001 0.00000 0.00000 0.00071 55 5XY 0.00000 0.00000 0.00000 0.00000 0.00006 56 5XZ -0.00001 0.00000 0.00000 -0.00001 0.00073 57 5YZ 0.00000 0.00000 0.00000 0.00000 0.00011 58 4 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 59 2S 0.00000 0.00000 0.00000 0.00000 0.00009 60 2PX 0.00000 0.00000 0.00000 0.00000 -0.00032 61 2PY 0.00000 0.00000 0.00000 0.00000 -0.00005 62 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00028 63 3S 0.00000 -0.00003 0.00000 -0.00005 -0.00296 64 3PX -0.00022 -0.00015 -0.00004 -0.00029 0.01175 65 3PY -0.00004 -0.00004 0.00000 -0.00005 0.00193 66 3PZ -0.00021 -0.00026 -0.00004 -0.00020 0.01214 67 4S -0.00018 -0.00009 -0.00001 -0.00018 -0.00402 68 4PX -0.00169 -0.00033 -0.00014 -0.00101 0.01424 69 4PY -0.00028 -0.00015 -0.00006 -0.00016 0.00240 70 4PZ -0.00188 -0.00097 -0.00015 -0.00060 0.01453 71 5XX 0.00000 0.00000 0.00000 0.00000 0.00013 72 5YY 0.00000 0.00000 0.00000 0.00000 -0.00031 73 5ZZ 0.00000 -0.00001 0.00000 0.00000 0.00071 74 5XY 0.00000 0.00000 0.00000 0.00000 0.00006 75 5XZ -0.00001 0.00000 0.00000 -0.00001 0.00073 76 5YZ 0.00000 0.00000 0.00000 0.00000 0.00011 77 5 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2S 0.00000 0.00000 0.00000 0.00000 0.00000 79 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 80 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 81 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 3S 0.00000 0.00000 0.00000 0.00000 0.00000 83 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 84 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 85 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 86 4S 0.00000 0.00000 0.00000 0.00000 0.00000 87 4PX 0.00000 0.00000 0.00000 0.00000 -0.00001 88 4PY 0.00000 0.00000 0.00000 0.00000 0.00002 89 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 91 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 92 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 94 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2S 0.00000 0.00000 0.00000 0.00000 -0.00015 98 2PX 0.00000 0.00000 0.00000 0.00000 -0.00001 99 2PY 0.00000 0.00000 0.00000 0.00000 -0.00179 100 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 3S -0.00008 0.00000 -0.00036 0.00000 -0.00097 102 3PX -0.00003 -0.00009 -0.00004 0.00000 0.00030 103 3PY -0.00185 -0.00003 -0.00271 0.00000 0.06458 104 3PZ 0.00000 0.00000 0.00000 -0.00012 0.00000 105 4S 0.00030 0.00000 -0.00015 0.00000 -0.01722 106 4PX -0.00012 -0.00046 -0.00008 0.00000 0.00022 107 4PY -0.00737 -0.00007 -0.00419 0.00000 0.06030 108 4PZ 0.00000 0.00000 0.00000 -0.00062 0.00000 109 5XX 0.00000 0.00000 0.00000 0.00000 -0.00079 110 5YY -0.00006 0.00000 -0.00006 0.00000 0.00498 111 5ZZ 0.00000 0.00000 0.00000 0.00000 -0.00083 112 5XY 0.00000 0.00000 0.00000 0.00000 0.00004 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 7 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00000 0.00000 0.00000 0.00000 0.00000 117 3S 0.00000 0.00000 0.00000 0.00000 0.00000 118 4S 0.00000 0.00000 0.00000 0.00000 0.00000 119 5S 0.00000 0.00000 0.00000 0.00000 0.00000 120 6S 0.00000 0.00000 0.00000 0.00000 -0.00001 121 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 122 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 128 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 129 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 10PX 0.00000 0.00000 0.00000 0.00000 -0.00001 131 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 132 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 140 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 141 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 0.00000 -0.00010 147 3S 0.00000 0.00000 0.00000 0.00000 0.00018 148 4S 0.00000 0.00000 0.00000 0.00000 0.00071 149 5S -0.00004 -0.00010 -0.00007 0.00000 0.00085 150 6S 0.00053 0.00022 0.00010 0.00000 -0.02318 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00002 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00001 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 0.00000 -0.00167 155 8PY 0.00000 0.00000 0.00000 0.00000 -0.00117 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX -0.00055 -0.00038 -0.00049 0.00000 0.02845 158 9PY -0.00032 -0.00047 -0.00010 0.00000 0.02076 159 9PZ 0.00000 0.00000 0.00000 -0.00005 0.00000 160 10PX -0.00614 -0.00123 -0.00221 0.00000 0.05071 161 10PY -0.00361 -0.00211 -0.00020 0.00000 0.03787 162 10PZ 0.00000 0.00000 0.00000 -0.00063 0.00000 163 11XX 0.00000 0.00000 0.00000 0.00000 -0.00048 164 11YY 0.00000 0.00000 0.00000 0.00000 -0.00035 165 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00012 166 11XY 0.00000 0.00000 0.00000 0.00000 -0.00017 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX -0.00034 -0.00015 -0.00026 0.00000 0.00556 170 12YY -0.00013 -0.00020 -0.00001 0.00000 0.00317 171 12ZZ 0.00000 -0.00001 0.00000 0.00000 -0.00027 172 12XY -0.00043 -0.00020 -0.00006 0.00000 0.00434 173 12XZ 0.00000 0.00000 0.00000 -0.00004 0.00000 174 12YZ 0.00000 0.00000 0.00000 -0.00002 0.00000 26 27 28 29 30 26 3PX 0.19531 27 3PY 0.00000 0.24759 28 3PZ 0.00000 0.00000 0.13325 29 4S 0.00000 0.00000 0.00000 0.03777 30 4PX 0.01153 0.00000 0.00000 0.00000 0.04391 31 4PY 0.00000 -0.00280 0.00000 0.00000 0.00000 32 4PZ 0.00000 0.00000 0.00912 0.00000 0.00000 33 5XX 0.00000 0.00000 0.00000 -0.00320 0.00000 34 5YY 0.00000 0.00000 0.00000 0.00459 0.00000 35 5ZZ 0.00000 0.00000 0.00000 0.00029 0.00000 36 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 37 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 38 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 39 3 Cl 1S 0.00001 0.00000 0.00001 -0.00003 -0.00002 40 2S -0.00029 -0.00004 -0.00050 0.00092 0.00079 41 2PX -0.00025 -0.00010 -0.00061 0.00018 -0.00002 42 2PY -0.00010 -0.00003 -0.00010 0.00003 0.00001 43 2PZ -0.00060 -0.00009 -0.00032 0.00003 0.00005 44 3S 0.00309 0.00042 0.00470 -0.00413 -0.00451 45 3PX 0.00678 0.00316 0.02041 -0.00028 0.00069 46 3PY 0.00322 0.00127 0.00323 -0.00009 0.00027 47 3PZ 0.01994 0.00309 0.00933 -0.00133 -0.00107 48 4S -0.00296 -0.00060 0.00044 -0.00471 -0.00638 49 4PX 0.00261 0.00267 0.01715 -0.00236 0.00260 50 4PY 0.00277 0.00176 0.00268 -0.00035 0.00006 51 4PZ 0.01663 0.00253 0.00541 -0.00192 -0.00203 52 5XX -0.00035 0.00006 0.00025 0.00005 0.00005 53 5YY -0.00018 -0.00007 -0.00017 0.00010 0.00016 54 5ZZ 0.00138 0.00021 0.00024 -0.00018 -0.00012 55 5XY 0.00002 0.00005 0.00006 0.00000 0.00000 56 5XZ 0.00023 0.00013 0.00043 0.00001 0.00000 57 5YZ 0.00013 0.00007 0.00007 0.00000 0.00000 58 4 Cl 1S 0.00001 0.00000 0.00001 -0.00003 -0.00002 59 2S -0.00029 -0.00004 -0.00050 0.00092 0.00079 60 2PX -0.00025 -0.00010 -0.00061 0.00018 -0.00002 61 2PY -0.00010 -0.00003 -0.00010 0.00003 0.00001 62 2PZ -0.00060 -0.00009 -0.00032 0.00003 0.00005 63 3S 0.00309 0.00042 0.00470 -0.00413 -0.00451 64 3PX 0.00678 0.00316 0.02042 -0.00028 0.00069 65 3PY 0.00322 0.00127 0.00323 -0.00009 0.00027 66 3PZ 0.01994 0.00309 0.00934 -0.00134 -0.00107 67 4S -0.00296 -0.00060 0.00044 -0.00471 -0.00638 68 4PX 0.00261 0.00267 0.01715 -0.00236 0.00260 69 4PY 0.00277 0.00176 0.00268 -0.00035 0.00006 70 4PZ 0.01663 0.00253 0.00541 -0.00192 -0.00203 71 5XX -0.00035 0.00006 0.00025 0.00005 0.00005 72 5YY -0.00018 -0.00007 -0.00017 0.00010 0.00016 73 5ZZ 0.00138 0.00021 0.00024 -0.00018 -0.00012 74 5XY 0.00002 0.00005 0.00006 0.00000 0.00000 75 5XZ 0.00023 0.00013 0.00043 0.00001 0.00000 76 5YZ 0.00013 0.00007 0.00007 0.00000 0.00000 77 5 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2S 0.00000 0.00000 0.00000 -0.00002 -0.00001 79 2PX 0.00000 0.00000 0.00000 0.00001 0.00001 80 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 81 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 3S 0.00000 0.00000 0.00000 0.00009 0.00007 83 3PX -0.00001 -0.00001 0.00000 -0.00052 -0.00059 84 3PY 0.00000 0.00000 0.00000 0.00017 0.00001 85 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 86 4S 0.00006 -0.00002 0.00000 -0.00004 0.00006 87 4PX -0.00007 -0.00010 0.00000 -0.00132 -0.00109 88 4PY 0.00006 -0.00003 0.00000 0.00032 0.00003 89 4PZ 0.00000 0.00000 0.00003 0.00000 0.00000 90 5XX 0.00000 0.00000 0.00000 -0.00001 -0.00001 91 5YY 0.00000 0.00000 0.00000 0.00002 0.00001 92 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 5XY 0.00000 0.00000 0.00000 -0.00001 -0.00001 94 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 6 Cl 1S 0.00000 0.00006 0.00000 -0.00006 0.00000 97 2S -0.00002 -0.00212 0.00000 0.00189 -0.00007 98 2PX -0.00026 -0.00006 0.00000 -0.00002 -0.00040 99 2PY -0.00004 -0.00354 0.00000 0.00009 0.00000 100 2PZ 0.00000 0.00000 -0.00033 0.00000 0.00000 101 3S 0.00015 0.01900 0.00000 -0.00755 0.00009 102 3PX 0.00969 0.00180 0.00000 0.00101 0.01911 103 3PY 0.00113 0.09572 0.00000 -0.00157 0.00019 104 3PZ 0.00000 0.00000 0.01224 0.00000 0.00000 105 4S -0.00003 -0.01613 0.00000 -0.00369 -0.00004 106 4PX 0.01285 0.00130 0.00000 0.00156 0.02927 107 4PY 0.00088 0.05016 0.00000 -0.00155 0.00022 108 4PZ 0.00000 0.00000 0.01797 0.00000 0.00000 109 5XX -0.00002 -0.00111 0.00000 0.00014 -0.00003 110 5YY 0.00009 0.00561 0.00000 -0.00042 0.00005 111 5ZZ -0.00002 -0.00116 0.00000 0.00007 0.00000 112 5XY 0.00047 0.00012 0.00000 0.00001 0.00019 113 5XZ 0.00000 0.00000 0.00001 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00049 0.00000 0.00000 115 7 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00000 0.00000 0.00000 0.00000 -0.00004 117 3S 0.00000 0.00000 0.00000 0.00001 0.00007 118 4S 0.00000 0.00000 0.00000 0.00002 0.00021 119 5S 0.00000 0.00000 0.00000 0.00009 0.00014 120 6S 0.00007 0.00000 0.00000 -0.00015 0.00017 121 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 122 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00000 0.00000 0.00000 0.00000 0.00001 125 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX -0.00001 0.00000 0.00000 -0.00027 -0.00064 128 9PY 0.00000 0.00000 0.00000 0.00003 0.00003 129 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 10PX -0.00015 0.00000 0.00000 -0.00126 -0.00208 131 10PY 0.00001 0.00001 0.00000 0.00010 0.00011 132 10PZ 0.00000 0.00000 0.00003 0.00000 0.00000 133 11XX 0.00000 0.00000 0.00000 0.00000 -0.00007 134 11YY 0.00000 0.00000 0.00000 -0.00003 -0.00012 135 11ZZ 0.00000 0.00000 0.00000 0.00000 -0.00007 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX -0.00001 0.00000 0.00000 -0.00005 -0.00030 140 12YY 0.00000 0.00000 0.00000 0.00004 -0.00009 141 12ZZ 0.00000 0.00000 0.00000 0.00000 -0.00012 142 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S -0.00001 0.00000 0.00000 -0.00007 -0.00005 146 2S 0.00024 0.00013 0.00000 0.00230 0.00151 147 3S -0.00073 -0.00042 0.00000 -0.00410 -0.00281 148 4S -0.00227 -0.00131 0.00000 -0.01124 -0.00763 149 5S 0.01016 0.00657 0.00000 -0.00199 0.00244 150 6S -0.02103 -0.01382 0.00000 -0.01174 -0.01116 151 7PX 0.00002 0.00004 0.00000 -0.00001 0.00000 152 7PY 0.00003 0.00001 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00001 0.00000 0.00000 154 8PX -0.00135 -0.00218 0.00000 -0.00015 0.00009 155 8PY -0.00200 -0.00030 0.00000 0.00029 -0.00040 156 8PZ 0.00000 0.00000 -0.00045 0.00000 0.00000 157 9PX 0.01794 0.03195 0.00000 0.00564 -0.00074 158 9PY 0.02931 0.00347 0.00000 -0.00490 0.00733 159 9PZ 0.00000 0.00000 0.00816 0.00000 0.00000 160 10PX 0.01350 0.04003 0.00000 0.01162 0.00305 161 10PY 0.03635 0.00059 0.00000 -0.01216 0.01320 162 10PZ 0.00000 0.00000 0.02016 0.00000 0.00000 163 11XX 0.00051 0.00002 0.00000 0.00386 0.00345 164 11YY 0.00049 0.00044 0.00000 0.00502 0.00220 165 11ZZ 0.00083 0.00048 0.00000 0.00431 0.00284 166 11XY -0.00012 -0.00005 0.00000 -0.00001 0.00000 167 11XZ 0.00000 0.00000 -0.00002 0.00000 0.00000 168 11YZ 0.00000 0.00000 -0.00002 0.00000 0.00000 169 12XX 0.00376 0.00663 0.00000 0.00751 0.00239 170 12YY 0.00609 0.00087 0.00000 0.00515 0.00638 171 12ZZ 0.00180 0.00115 0.00000 0.00562 0.00408 172 12XY 0.00179 0.00053 0.00000 -0.00009 0.00001 173 12XZ 0.00000 0.00000 0.00093 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00055 0.00000 0.00000 31 32 33 34 35 31 4PY 0.02400 32 4PZ 0.00000 0.02010 33 5XX 0.00000 0.00000 0.01413 34 5YY 0.00000 0.00000 -0.00410 0.01904 35 5ZZ 0.00000 0.00000 0.00091 -0.00234 0.01159 36 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 37 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 38 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 39 3 Cl 1S 0.00000 -0.00002 0.00000 0.00000 0.00000 40 2S 0.00013 0.00074 -0.00001 0.00001 -0.00010 41 2PX 0.00002 0.00008 0.00001 0.00001 -0.00011 42 2PY -0.00009 0.00001 -0.00002 -0.00001 -0.00002 43 2PZ 0.00001 0.00000 -0.00009 0.00001 0.00000 44 3S -0.00066 -0.00392 0.00017 -0.00030 0.00181 45 3PX 0.00015 -0.00136 -0.00063 -0.00087 0.00467 46 3PY 0.00398 -0.00020 0.00082 0.00031 0.00076 47 3PZ -0.00029 0.00023 0.00386 -0.00085 -0.00060 48 4S -0.00109 -0.00610 0.00027 -0.00077 0.00179 49 4PX -0.00013 -0.00252 -0.00065 -0.00233 0.00543 50 4PY 0.00640 -0.00041 0.00121 -0.00028 0.00088 51 4PZ -0.00042 0.00167 0.00464 -0.00210 -0.00056 52 5XX 0.00002 0.00019 -0.00002 0.00001 -0.00002 53 5YY 0.00002 0.00015 -0.00004 0.00001 0.00000 54 5ZZ -0.00003 -0.00028 0.00022 -0.00004 -0.00003 55 5XY 0.00000 0.00000 0.00000 0.00000 -0.00001 56 5XZ 0.00000 0.00000 -0.00005 -0.00003 0.00010 57 5YZ 0.00004 0.00000 0.00001 0.00001 0.00002 58 4 Cl 1S 0.00000 -0.00002 0.00000 0.00000 0.00000 59 2S 0.00013 0.00074 -0.00001 0.00001 -0.00010 60 2PX 0.00002 0.00008 0.00001 0.00001 -0.00011 61 2PY -0.00009 0.00001 -0.00002 -0.00001 -0.00002 62 2PZ 0.00001 0.00000 -0.00009 0.00001 0.00001 63 3S -0.00066 -0.00392 0.00017 -0.00030 0.00181 64 3PX 0.00015 -0.00136 -0.00063 -0.00087 0.00467 65 3PY 0.00398 -0.00020 0.00082 0.00031 0.00076 66 3PZ -0.00029 0.00023 0.00386 -0.00085 -0.00060 67 4S -0.00109 -0.00610 0.00027 -0.00077 0.00179 68 4PX -0.00013 -0.00252 -0.00066 -0.00233 0.00543 69 4PY 0.00640 -0.00041 0.00121 -0.00028 0.00088 70 4PZ -0.00042 0.00167 0.00464 -0.00210 -0.00056 71 5XX 0.00002 0.00019 -0.00002 0.00001 -0.00002 72 5YY 0.00002 0.00015 -0.00004 0.00001 0.00000 73 5ZZ -0.00003 -0.00028 0.00022 -0.00004 -0.00003 74 5XY 0.00000 0.00000 0.00000 0.00000 -0.00001 75 5XZ 0.00000 0.00000 -0.00005 -0.00003 0.00010 76 5YZ 0.00004 0.00000 0.00001 0.00001 0.00002 77 5 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2S -0.00005 0.00000 0.00000 0.00000 0.00000 79 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 80 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 81 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 3S 0.00018 0.00000 0.00000 0.00000 0.00000 83 3PX -0.00019 0.00000 0.00000 0.00000 0.00000 84 3PY 0.00006 0.00000 0.00000 0.00000 0.00000 85 3PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 86 4S -0.00018 0.00000 0.00001 -0.00001 0.00000 87 4PX -0.00042 0.00000 -0.00001 -0.00001 0.00000 88 4PY -0.00008 0.00000 -0.00001 -0.00002 0.00001 89 4PZ 0.00000 -0.00005 0.00000 0.00000 0.00000 90 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 91 5YY 0.00001 0.00000 0.00000 0.00000 0.00000 92 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 94 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 6 Cl 1S -0.00007 0.00000 0.00000 0.00002 0.00000 97 2S 0.00209 0.00000 0.00001 -0.00087 0.00000 98 2PX 0.00000 0.00000 0.00000 -0.00004 0.00000 99 2PY 0.00011 0.00000 0.00002 -0.00115 0.00001 100 2PZ 0.00000 -0.00024 0.00000 0.00000 0.00000 101 3S -0.00769 0.00000 -0.00065 0.00942 -0.00046 102 3PX 0.00009 0.00000 0.00012 0.00113 -0.00004 103 3PY -0.00293 0.00000 -0.00357 0.02500 -0.00249 104 3PZ 0.00000 0.01030 0.00000 0.00000 0.00000 105 4S -0.00821 0.00000 -0.00033 0.00339 0.00000 106 4PX 0.00022 0.00000 -0.00002 0.00081 -0.00013 107 4PY -0.00179 0.00000 -0.00781 0.01359 -0.00557 108 4PZ 0.00000 0.01591 0.00000 0.00000 0.00000 109 5XX 0.00034 0.00000 0.00003 -0.00024 0.00001 110 5YY -0.00039 0.00000 -0.00011 0.00116 -0.00010 111 5ZZ 0.00024 0.00000 0.00001 -0.00023 0.00003 112 5XY 0.00000 0.00000 0.00001 0.00006 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00011 0.00000 0.00000 0.00000 115 7 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00000 0.00000 0.00000 0.00000 0.00000 117 3S 0.00001 0.00000 0.00000 0.00000 0.00000 118 4S 0.00002 0.00000 0.00000 0.00000 0.00000 119 5S 0.00000 0.00000 0.00000 0.00000 0.00000 120 6S 0.00000 0.00000 0.00000 0.00000 0.00000 121 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 122 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX 0.00002 0.00000 0.00000 0.00000 0.00000 128 9PY 0.00009 0.00000 0.00000 0.00000 0.00000 129 9PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 130 10PX 0.00007 0.00000 -0.00007 0.00000 0.00001 131 10PY 0.00035 0.00000 0.00000 0.00000 0.00000 132 10PZ 0.00000 -0.00005 0.00000 0.00000 0.00000 133 11XX -0.00001 0.00000 0.00000 0.00000 0.00000 134 11YY -0.00001 0.00000 0.00000 0.00000 0.00000 135 11ZZ -0.00001 0.00000 0.00000 0.00000 0.00000 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX -0.00002 0.00000 0.00000 0.00000 0.00000 140 12YY -0.00001 0.00000 0.00000 0.00000 0.00000 141 12ZZ -0.00001 0.00000 0.00000 0.00000 0.00000 142 12XY 0.00001 0.00000 0.00000 0.00000 0.00000 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S -0.00006 0.00000 0.00000 0.00000 0.00000 146 2S 0.00193 0.00000 0.00003 0.00000 0.00000 147 3S -0.00351 0.00000 -0.00009 -0.00001 0.00000 148 4S -0.00954 0.00000 -0.00033 -0.00003 0.00001 149 5S 0.00099 0.00000 0.00132 0.00010 -0.00025 150 6S -0.00927 0.00000 0.00142 0.00019 0.00040 151 7PX -0.00001 0.00000 0.00000 0.00001 0.00000 152 7PY 0.00000 0.00000 0.00001 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX -0.00023 0.00000 0.00010 -0.00023 0.00001 155 8PY -0.00016 0.00000 -0.00047 0.00014 0.00000 156 8PZ 0.00000 -0.00061 0.00000 0.00000 0.00000 157 9PX 0.00518 0.00000 -0.00216 0.00387 -0.00094 158 9PY 0.00343 0.00000 0.00777 -0.00224 -0.00049 159 9PZ 0.00000 0.01072 0.00000 0.00000 0.00000 160 10PX 0.00926 0.00000 -0.00372 0.00818 -0.00450 161 10PY 0.01225 0.00000 0.01278 -0.00499 -0.00212 162 10PZ 0.00000 0.02612 0.00000 0.00000 0.00000 163 11XX 0.00326 0.00000 0.00013 0.00001 0.00000 164 11YY 0.00395 0.00000 0.00008 0.00002 0.00000 165 11ZZ 0.00353 0.00000 0.00006 0.00000 -0.00001 166 11XY 0.00000 0.00000 0.00001 0.00002 0.00000 167 11XZ 0.00000 -0.00001 0.00000 0.00000 0.00000 168 11YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 169 12XX 0.00659 0.00000 -0.00006 0.00057 -0.00027 170 12YY 0.00275 0.00000 0.00084 -0.00012 -0.00016 171 12ZZ 0.00455 0.00000 0.00007 0.00001 -0.00004 172 12XY 0.00006 0.00000 0.00029 -0.00012 -0.00020 173 12XZ 0.00000 0.00034 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00024 0.00000 0.00000 0.00000 36 37 38 39 40 36 5XY 0.01847 37 5XZ 0.00000 0.01513 38 5YZ 0.00000 0.00000 0.01162 39 3 Cl 1S 0.00000 0.00000 0.00000 2.16061 40 2S -0.00003 -0.00020 -0.00003 -0.16506 2.38929 41 2PX -0.00004 -0.00015 -0.00005 0.00000 0.00000 42 2PY 0.00000 -0.00005 0.00000 0.00000 0.00000 43 2PZ -0.00006 -0.00020 -0.00003 0.00000 0.00000 44 3S 0.00035 0.00278 0.00045 0.00052 -0.14800 45 3PX 0.00111 0.00472 0.00191 0.00000 0.00000 46 3PY 0.00045 0.00189 0.00050 0.00000 0.00000 47 3PZ 0.00208 0.00641 0.00103 0.00000 0.00000 48 4S 0.00027 0.00197 0.00032 0.00250 -0.07796 49 4PX 0.00045 0.00158 0.00132 0.00000 0.00000 50 4PY 0.00084 0.00130 0.00119 0.00000 0.00000 51 4PZ 0.00130 0.00277 0.00045 0.00000 0.00000 52 5XX -0.00003 -0.00004 0.00001 0.00006 -0.00476 53 5YY -0.00001 -0.00007 -0.00001 0.00006 -0.00357 54 5ZZ 0.00013 0.00017 0.00003 0.00006 -0.00448 55 5XY 0.00000 0.00003 0.00000 0.00000 0.00000 56 5XZ 0.00003 0.00019 0.00006 0.00000 0.00000 57 5YZ 0.00001 0.00006 0.00001 0.00000 0.00000 58 4 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 59 2S -0.00003 -0.00020 -0.00003 0.00000 0.00000 60 2PX -0.00004 -0.00015 -0.00005 0.00000 0.00000 61 2PY 0.00000 -0.00005 0.00000 0.00000 0.00000 62 2PZ -0.00006 -0.00020 -0.00003 0.00000 0.00000 63 3S 0.00035 0.00278 0.00045 0.00000 0.00000 64 3PX 0.00111 0.00472 0.00191 0.00000 0.00000 65 3PY 0.00045 0.00189 0.00050 0.00000 0.00000 66 3PZ 0.00208 0.00641 0.00103 0.00000 0.00000 67 4S 0.00027 0.00197 0.00032 0.00000 -0.00002 68 4PX 0.00045 0.00158 0.00132 0.00000 0.00000 69 4PY 0.00084 0.00130 0.00119 0.00000 0.00000 70 4PZ 0.00130 0.00277 0.00045 0.00000 0.00005 71 5XX -0.00003 -0.00004 0.00001 0.00000 0.00000 72 5YY -0.00001 -0.00007 -0.00001 0.00000 0.00000 73 5ZZ 0.00013 0.00017 0.00003 0.00000 0.00000 74 5XY 0.00000 0.00003 0.00000 0.00000 0.00000 75 5XZ 0.00003 0.00019 0.00006 0.00000 0.00000 76 5YZ 0.00001 0.00006 0.00001 0.00000 0.00000 77 5 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2S 0.00000 0.00000 0.00000 0.00000 0.00000 79 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 80 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 81 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 3S 0.00000 0.00000 0.00000 0.00000 0.00000 83 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 84 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 85 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 86 4S 0.00000 0.00000 0.00000 0.00000 0.00000 87 4PX -0.00002 0.00000 0.00000 0.00000 0.00000 88 4PY -0.00001 0.00000 0.00000 0.00000 0.00000 89 4PZ 0.00000 0.00000 0.00000 0.00000 0.00001 90 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 91 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 92 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 94 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2S -0.00003 0.00000 0.00000 0.00000 0.00000 98 2PX -0.00020 0.00000 0.00000 0.00000 0.00000 99 2PY -0.00007 0.00000 0.00000 0.00000 0.00000 100 2PZ 0.00000 0.00000 -0.00022 0.00000 0.00000 101 3S 0.00030 0.00000 0.00000 0.00000 0.00000 102 3PX 0.00874 0.00000 0.00000 0.00000 0.00000 103 3PY 0.00160 0.00000 0.00000 0.00000 0.00000 104 3PZ 0.00000 0.00014 0.00931 0.00000 0.00000 105 4S 0.00010 0.00000 0.00000 0.00000 0.00000 106 4PX 0.00957 0.00000 0.00000 0.00000 0.00000 107 4PY 0.00060 0.00000 0.00000 0.00000 0.00000 108 4PZ 0.00000 0.00012 0.01038 0.00000 0.00001 109 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 110 5YY 0.00008 0.00000 0.00000 0.00000 0.00000 111 5ZZ -0.00001 0.00000 0.00000 0.00000 0.00000 112 5XY 0.00022 0.00000 0.00000 0.00000 0.00000 113 5XZ 0.00000 0.00001 0.00001 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00030 0.00000 0.00000 115 7 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00000 0.00000 0.00000 0.00000 0.00000 117 3S 0.00000 0.00000 0.00000 0.00000 0.00000 118 4S 0.00000 0.00000 0.00000 0.00000 0.00000 119 5S 0.00000 0.00000 0.00000 0.00000 0.00000 120 6S 0.00000 0.00000 0.00000 0.00000 0.00000 121 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 122 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 128 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 129 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 10PX 0.00000 0.00000 0.00000 0.00000 0.00001 131 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 132 10PZ 0.00000 0.00000 0.00000 0.00000 0.00001 133 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 140 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 141 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00004 0.00000 0.00000 0.00000 0.00000 147 3S -0.00018 0.00000 0.00000 0.00000 0.00000 148 4S -0.00072 0.00000 0.00000 0.00000 0.00000 149 5S 0.00342 0.00000 0.00000 0.00000 0.00000 150 6S 0.00114 0.00000 0.00000 0.00000 0.00000 151 7PX 0.00001 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00001 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX -0.00078 0.00000 0.00000 0.00000 0.00000 155 8PY -0.00031 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 -0.00015 -0.00009 0.00000 0.00000 157 9PX 0.01042 0.00000 0.00000 0.00000 0.00000 158 9PY 0.00370 0.00000 0.00000 0.00000 0.00000 159 9PZ 0.00000 0.00355 0.00199 0.00000 0.00000 160 10PX 0.00571 0.00000 0.00000 0.00000 0.00001 161 10PY 0.00120 0.00000 0.00000 0.00000 0.00000 162 10PZ 0.00000 0.00674 0.00401 0.00000 0.00001 163 11XX 0.00015 0.00000 0.00000 0.00000 0.00000 164 11YY 0.00017 0.00000 0.00000 0.00000 0.00000 165 11ZZ 0.00014 0.00000 0.00000 0.00000 0.00000 166 11XY -0.00003 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 -0.00001 -0.00001 0.00000 0.00000 168 11YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 169 12XX 0.00099 0.00000 0.00000 0.00000 0.00000 170 12YY 0.00023 0.00000 0.00000 0.00000 0.00000 171 12ZZ 0.00011 0.00000 0.00000 0.00000 0.00000 172 12XY 0.00045 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00024 0.00032 0.00000 0.00000 174 12YZ 0.00000 0.00024 0.00007 0.00000 0.00000 41 42 43 44 45 41 2PX 2.10576 42 2PY 0.00000 2.12181 43 2PZ 0.00000 0.00000 2.10827 44 3S 0.00000 0.00000 0.00000 1.20754 45 3PX -0.09933 0.00000 0.00000 0.00000 0.93677 46 3PY 0.00000 -0.11321 0.00000 0.00000 0.00000 47 3PZ 0.00000 0.00000 -0.10143 0.00000 0.00000 48 4S 0.00000 0.00000 0.00000 0.42962 0.00000 49 4PX -0.01343 0.00000 0.00000 0.00000 0.25541 50 4PY 0.00000 -0.01607 0.00000 0.00000 0.00000 51 4PZ 0.00000 0.00000 -0.01307 0.00000 0.00000 52 5XX 0.00000 0.00000 0.00000 -0.00358 0.00000 53 5YY 0.00000 0.00000 0.00000 -0.01434 0.00000 54 5ZZ 0.00000 0.00000 0.00000 -0.00734 0.00000 55 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 56 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 57 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 59 2S 0.00000 0.00000 0.00000 0.00000 0.00000 60 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 61 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 62 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 63 3S 0.00000 0.00000 0.00000 0.00000 0.00000 64 3PX 0.00000 0.00000 0.00000 0.00000 -0.00001 65 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 66 3PZ 0.00000 0.00000 0.00000 -0.00005 0.00000 67 4S 0.00000 0.00000 0.00002 0.00021 0.00000 68 4PX 0.00000 0.00000 0.00000 0.00000 -0.00017 69 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 70 4PZ 0.00000 0.00000 0.00016 -0.00095 0.00000 71 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 72 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 73 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 74 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 75 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 5 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2S 0.00000 0.00000 0.00000 0.00000 0.00000 79 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 80 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 81 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 3S 0.00000 0.00000 0.00000 0.00000 0.00000 83 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 84 3PY 0.00000 0.00000 0.00000 -0.00001 -0.00001 85 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 86 4S 0.00000 0.00000 0.00000 0.00005 0.00004 87 4PX 0.00000 0.00001 0.00000 -0.00008 -0.00004 88 4PY 0.00000 0.00001 0.00000 -0.00016 -0.00031 89 4PZ 0.00000 0.00001 0.00000 -0.00017 -0.00024 90 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 91 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 92 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 94 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 99 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 100 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 3S 0.00000 0.00000 0.00000 0.00000 0.00000 102 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 103 3PY 0.00000 0.00000 0.00000 -0.00001 -0.00001 104 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 105 4S 0.00000 0.00000 0.00000 0.00005 0.00004 106 4PX 0.00000 0.00001 0.00000 -0.00008 -0.00004 107 4PY 0.00000 0.00001 0.00000 -0.00016 -0.00031 108 4PZ 0.00000 0.00001 0.00000 -0.00017 -0.00024 109 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 110 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 111 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 7 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00000 0.00000 0.00000 0.00000 0.00000 117 3S 0.00000 0.00000 0.00000 0.00000 0.00000 118 4S 0.00000 0.00000 0.00000 0.00000 0.00000 119 5S 0.00000 0.00000 0.00000 0.00000 0.00000 120 6S 0.00000 0.00000 0.00000 0.00003 -0.00014 121 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 122 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX 0.00000 0.00000 0.00000 0.00000 -0.00002 128 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 129 9PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 130 10PX 0.00002 0.00000 0.00001 -0.00029 -0.00138 131 10PY 0.00000 0.00000 0.00000 -0.00002 -0.00008 132 10PZ 0.00001 0.00000 0.00000 -0.00016 -0.00057 133 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00000 0.00000 0.00000 0.00000 0.00001 140 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 141 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00001 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3S 0.00000 0.00000 0.00000 0.00000 0.00000 148 4S 0.00000 0.00000 0.00000 0.00000 0.00000 149 5S 0.00000 0.00000 0.00000 0.00000 0.00000 150 6S 0.00000 0.00000 0.00000 0.00003 -0.00014 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00000 0.00000 0.00000 0.00000 -0.00002 158 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 159 9PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 160 10PX 0.00002 0.00000 0.00001 -0.00029 -0.00138 161 10PY 0.00000 0.00000 0.00000 -0.00002 -0.00008 162 10PZ 0.00001 0.00000 0.00000 -0.00016 -0.00057 163 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 164 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 165 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 0.00000 0.00000 0.00001 170 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00001 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 47 48 49 50 46 3PY 1.04423 47 3PZ 0.00000 0.94795 48 4S 0.00000 0.00000 0.24976 49 4PX 0.00000 0.00000 0.00000 0.18563 50 4PY 0.32707 0.00000 0.00000 0.00000 0.26718 51 4PZ 0.00000 0.26112 0.00000 0.00000 0.00000 52 5XX 0.00000 0.00000 -0.00047 0.00000 0.00000 53 5YY 0.00000 0.00000 -0.00412 0.00000 0.00000 54 5ZZ 0.00000 0.00000 -0.00237 0.00000 0.00000 55 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 56 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 57 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 59 2S 0.00000 0.00000 -0.00002 0.00000 0.00000 60 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 61 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 62 2PZ 0.00000 0.00000 0.00002 0.00000 0.00000 63 3S 0.00000 -0.00005 0.00021 0.00000 0.00000 64 3PX 0.00000 0.00000 0.00000 -0.00017 0.00000 65 3PY -0.00001 0.00000 0.00000 0.00000 -0.00037 66 3PZ 0.00000 -0.00050 -0.00146 0.00000 0.00000 67 4S 0.00000 -0.00146 0.00120 0.00000 0.00000 68 4PX 0.00000 0.00000 0.00000 -0.00047 0.00000 69 4PY -0.00037 0.00000 0.00000 0.00000 -0.00193 70 4PZ 0.00000 -0.00808 -0.00358 0.00000 0.00000 71 5XX 0.00000 0.00000 0.00001 0.00000 0.00000 72 5YY 0.00000 0.00000 0.00001 0.00000 0.00000 73 5ZZ 0.00000 0.00001 -0.00008 0.00000 0.00000 74 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 75 5XZ 0.00000 0.00000 0.00000 0.00001 0.00000 76 5YZ 0.00000 0.00000 0.00000 0.00000 0.00001 77 5 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2S 0.00000 0.00000 0.00000 0.00000 0.00001 79 2PX 0.00000 0.00000 0.00000 0.00000 0.00001 80 2PY 0.00000 0.00000 0.00000 0.00001 0.00001 81 2PZ 0.00000 0.00000 0.00000 0.00001 0.00001 82 3S 0.00000 0.00000 0.00003 -0.00001 -0.00024 83 3PX -0.00001 -0.00001 -0.00027 -0.00011 -0.00066 84 3PY -0.00002 -0.00001 -0.00003 -0.00036 -0.00069 85 3PZ -0.00001 0.00000 -0.00025 -0.00035 -0.00037 86 4S -0.00030 0.00004 0.00007 0.00025 -0.00111 87 4PX -0.00055 -0.00021 -0.00109 -0.00019 -0.00238 88 4PY -0.00071 -0.00020 -0.00004 -0.00083 -0.00197 89 4PZ -0.00041 -0.00004 -0.00112 -0.00123 -0.00118 90 5XX 0.00000 0.00000 0.00000 0.00000 0.00001 91 5YY 0.00000 0.00000 0.00000 0.00000 -0.00001 92 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 93 5XY 0.00000 0.00000 -0.00001 0.00000 0.00000 94 5XZ 0.00000 0.00000 0.00000 0.00000 0.00001 95 5YZ 0.00000 0.00000 -0.00001 0.00000 0.00001 96 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2S 0.00000 0.00000 0.00000 0.00000 0.00001 98 2PX 0.00000 0.00000 0.00000 0.00000 0.00001 99 2PY 0.00000 0.00000 0.00000 0.00001 0.00001 100 2PZ 0.00000 0.00000 0.00000 0.00001 0.00001 101 3S 0.00000 0.00000 0.00003 -0.00001 -0.00024 102 3PX -0.00001 -0.00001 -0.00027 -0.00011 -0.00066 103 3PY -0.00002 -0.00001 -0.00003 -0.00036 -0.00069 104 3PZ -0.00001 0.00000 -0.00025 -0.00035 -0.00037 105 4S -0.00030 0.00004 0.00007 0.00025 -0.00111 106 4PX -0.00055 -0.00021 -0.00109 -0.00019 -0.00238 107 4PY -0.00071 -0.00020 -0.00004 -0.00083 -0.00197 108 4PZ -0.00040 -0.00004 -0.00112 -0.00123 -0.00118 109 5XX 0.00000 0.00000 0.00000 0.00000 0.00001 110 5YY 0.00000 0.00000 0.00000 0.00000 -0.00001 111 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 112 5XY 0.00000 0.00000 -0.00001 0.00000 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00001 114 5YZ 0.00000 0.00000 -0.00001 0.00000 0.00001 115 7 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00000 0.00000 0.00000 -0.00001 0.00000 117 3S 0.00000 0.00000 0.00000 0.00002 0.00000 118 4S 0.00000 0.00000 0.00001 0.00006 0.00001 119 5S 0.00000 0.00000 0.00002 -0.00010 0.00000 120 6S -0.00007 0.00006 0.00005 -0.00045 -0.00037 121 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 122 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00000 0.00000 0.00001 0.00004 0.00000 125 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00002 0.00000 127 9PX 0.00000 -0.00001 -0.00024 -0.00118 -0.00008 128 9PY 0.00000 0.00000 0.00005 0.00001 -0.00001 129 9PZ 0.00000 0.00000 -0.00017 -0.00047 0.00003 130 10PX -0.00018 -0.00039 -0.00168 -0.00564 -0.00069 131 10PY -0.00001 0.00002 0.00040 0.00017 -0.00007 132 10PZ -0.00001 -0.00003 -0.00130 -0.00266 0.00016 133 11XX 0.00000 0.00000 -0.00001 -0.00003 0.00000 134 11YY 0.00000 0.00000 -0.00001 -0.00002 0.00000 135 11ZZ 0.00000 0.00000 -0.00001 -0.00002 0.00000 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00000 0.00000 -0.00011 -0.00017 0.00001 140 12YY 0.00000 0.00000 0.00000 -0.00004 0.00000 141 12ZZ 0.00000 0.00000 -0.00002 -0.00005 0.00001 142 12XY 0.00000 0.00000 0.00000 0.00001 0.00001 143 12XZ 0.00000 0.00000 -0.00003 0.00003 0.00002 144 12YZ 0.00000 0.00000 -0.00001 -0.00001 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 -0.00001 0.00000 147 3S 0.00000 0.00000 0.00000 0.00002 0.00000 148 4S 0.00000 0.00000 0.00001 0.00006 0.00001 149 5S 0.00000 0.00000 0.00002 -0.00010 0.00000 150 6S -0.00007 0.00006 0.00005 -0.00045 -0.00037 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00001 0.00004 0.00000 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00002 0.00000 157 9PX 0.00000 -0.00001 -0.00024 -0.00118 -0.00008 158 9PY 0.00000 0.00000 0.00005 0.00001 -0.00001 159 9PZ 0.00000 0.00000 -0.00017 -0.00047 0.00003 160 10PX -0.00018 -0.00039 -0.00168 -0.00564 -0.00069 161 10PY -0.00001 0.00002 0.00040 0.00016 -0.00007 162 10PZ -0.00001 -0.00003 -0.00130 -0.00266 0.00016 163 11XX 0.00000 0.00000 -0.00001 -0.00003 0.00000 164 11YY 0.00000 0.00000 -0.00001 -0.00002 0.00000 165 11ZZ 0.00000 0.00000 -0.00001 -0.00002 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 -0.00011 -0.00017 0.00001 170 12YY 0.00000 0.00000 0.00000 -0.00004 0.00000 171 12ZZ 0.00000 0.00000 -0.00002 -0.00005 0.00001 172 12XY 0.00000 0.00000 0.00000 0.00001 0.00001 173 12XZ 0.00000 0.00000 -0.00003 0.00003 0.00002 174 12YZ 0.00000 0.00000 -0.00001 -0.00001 0.00000 51 52 53 54 55 51 4PZ 0.18878 52 5XX 0.00000 0.00096 53 5YY 0.00000 0.00022 0.00132 54 5ZZ 0.00000 0.00008 -0.00003 0.00284 55 5XY 0.00000 0.00000 0.00000 0.00000 0.00029 56 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 57 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 59 2S 0.00005 0.00000 0.00000 0.00000 0.00000 60 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 61 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 62 2PZ 0.00016 0.00000 0.00000 0.00000 0.00000 63 3S -0.00095 0.00000 0.00000 0.00000 0.00000 64 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 65 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 66 3PZ -0.00808 0.00000 0.00000 0.00001 0.00000 67 4S -0.00358 0.00001 0.00001 -0.00008 0.00000 68 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 69 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 70 4PZ -0.01865 -0.00006 0.00000 0.00016 0.00000 71 5XX -0.00006 0.00000 0.00000 0.00000 0.00000 72 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 73 5ZZ 0.00016 0.00000 0.00000 0.00000 0.00000 74 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 75 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 5 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2S 0.00000 0.00000 0.00000 0.00000 0.00000 79 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 80 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 81 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 3S -0.00003 0.00000 0.00000 0.00000 0.00000 83 3PX -0.00029 0.00000 0.00000 0.00000 0.00000 84 3PY -0.00025 0.00000 0.00000 0.00000 0.00000 85 3PZ -0.00007 0.00000 0.00000 0.00000 0.00000 86 4S 0.00016 0.00000 0.00000 0.00000 0.00000 87 4PX -0.00098 0.00000 0.00003 -0.00001 0.00000 88 4PY -0.00048 0.00000 0.00001 -0.00001 0.00001 89 4PZ -0.00010 0.00001 0.00002 -0.00001 0.00002 90 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 91 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 92 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 94 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 99 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 100 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 3S -0.00003 0.00000 0.00000 0.00000 0.00000 102 3PX -0.00029 0.00000 0.00000 0.00000 0.00000 103 3PY -0.00025 0.00000 0.00000 0.00000 0.00000 104 3PZ -0.00007 0.00000 0.00000 0.00000 0.00000 105 4S 0.00016 0.00000 0.00000 0.00000 0.00000 106 4PX -0.00098 0.00000 0.00003 -0.00001 0.00000 107 4PY -0.00048 0.00000 0.00001 -0.00001 0.00001 108 4PZ -0.00010 0.00001 0.00002 -0.00001 0.00002 109 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 110 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 111 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 7 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00000 0.00000 0.00000 0.00000 0.00000 117 3S 0.00000 0.00000 0.00000 0.00000 0.00000 118 4S 0.00000 0.00000 0.00000 0.00000 0.00000 119 5S -0.00003 0.00000 0.00000 0.00000 0.00000 120 6S 0.00025 -0.00001 0.00000 0.00000 0.00000 121 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 122 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00001 0.00000 0.00000 0.00000 0.00000 125 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX -0.00037 0.00000 0.00000 0.00000 0.00000 128 9PY 0.00002 0.00000 0.00000 0.00000 0.00000 129 9PZ -0.00004 0.00000 0.00000 0.00000 0.00000 130 10PX -0.00174 0.00006 -0.00001 -0.00002 0.00001 131 10PY 0.00019 0.00000 0.00000 0.00000 0.00000 132 10PZ -0.00009 0.00005 0.00000 -0.00001 0.00000 133 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX -0.00004 0.00000 0.00000 0.00000 0.00000 140 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 141 12ZZ -0.00001 0.00000 0.00000 0.00000 0.00000 142 12XY 0.00001 0.00000 0.00000 0.00000 0.00000 143 12XZ 0.00001 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3S 0.00000 0.00000 0.00000 0.00000 0.00000 148 4S 0.00000 0.00000 0.00000 0.00000 0.00000 149 5S -0.00003 0.00000 0.00000 0.00000 0.00000 150 6S 0.00025 -0.00001 0.00000 0.00000 0.00000 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00001 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX -0.00037 0.00000 0.00000 0.00000 0.00000 158 9PY 0.00002 0.00000 0.00000 0.00000 0.00000 159 9PZ -0.00004 0.00000 0.00000 0.00000 0.00000 160 10PX -0.00174 0.00006 -0.00001 -0.00002 0.00001 161 10PY 0.00019 0.00000 0.00000 0.00000 0.00000 162 10PZ -0.00009 0.00005 0.00000 -0.00001 0.00000 163 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 164 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 165 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX -0.00004 0.00000 0.00000 0.00000 0.00000 170 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 12ZZ -0.00001 0.00000 0.00000 0.00000 0.00000 172 12XY 0.00001 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00001 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 56 57 58 59 60 56 5XZ 0.00260 57 5YZ 0.00000 0.00127 58 4 Cl 1S 0.00000 0.00000 2.16061 59 2S 0.00000 0.00000 -0.16506 2.38929 60 2PX 0.00000 0.00000 0.00000 0.00000 2.10576 61 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 62 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 63 3S 0.00000 0.00000 0.00052 -0.14800 0.00000 64 3PX 0.00000 0.00000 0.00000 0.00000 -0.09933 65 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 66 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 67 4S 0.00000 0.00000 0.00250 -0.07796 0.00000 68 4PX 0.00001 0.00000 0.00000 0.00000 -0.01343 69 4PY 0.00000 0.00001 0.00000 0.00000 0.00000 70 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 71 5XX 0.00000 0.00000 0.00006 -0.00476 0.00000 72 5YY 0.00000 0.00000 0.00006 -0.00357 0.00000 73 5ZZ 0.00000 0.00000 0.00006 -0.00448 0.00000 74 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 75 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 5 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2S 0.00000 0.00000 0.00000 0.00000 0.00000 79 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 80 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 81 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 3S 0.00000 0.00000 0.00000 0.00000 0.00000 83 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 84 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 85 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 86 4S 0.00000 -0.00001 0.00000 0.00000 0.00000 87 4PX 0.00000 0.00001 0.00000 0.00000 0.00000 88 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4PZ 0.00000 0.00000 0.00000 0.00001 0.00000 90 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 91 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 92 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 94 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 99 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 100 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 3S 0.00000 0.00000 0.00000 0.00000 0.00000 102 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 103 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 104 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4S 0.00000 -0.00001 0.00000 0.00000 0.00000 106 4PX 0.00000 0.00001 0.00000 0.00000 0.00000 107 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 108 4PZ 0.00000 0.00000 0.00000 0.00001 0.00000 109 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 110 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 111 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 7 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00000 0.00000 0.00000 0.00000 0.00000 117 3S 0.00000 0.00000 0.00000 0.00000 0.00000 118 4S 0.00000 0.00000 0.00000 0.00000 0.00000 119 5S 0.00000 0.00000 0.00000 0.00000 0.00000 120 6S 0.00000 0.00000 0.00000 0.00000 0.00000 121 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 122 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 128 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 129 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 10PX 0.00002 0.00000 0.00000 0.00001 0.00002 131 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 132 10PZ 0.00000 0.00000 0.00000 0.00001 0.00001 133 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 140 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 141 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3S 0.00000 0.00000 0.00000 0.00000 0.00000 148 4S 0.00000 0.00000 0.00000 0.00000 0.00000 149 5S 0.00000 0.00000 0.00000 0.00000 0.00000 150 6S 0.00000 0.00000 0.00000 0.00000 0.00000 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 158 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX 0.00002 0.00000 0.00000 0.00001 0.00002 161 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 10PZ 0.00000 0.00000 0.00000 0.00001 0.00001 163 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 164 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 165 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 62 63 64 65 61 2PY 2.12181 62 2PZ 0.00000 2.10827 63 3S 0.00000 0.00000 1.20754 64 3PX 0.00000 0.00000 0.00000 0.93677 65 3PY -0.11321 0.00000 0.00000 0.00000 1.04423 66 3PZ 0.00000 -0.10143 0.00000 0.00000 0.00000 67 4S 0.00000 0.00000 0.42962 0.00000 0.00000 68 4PX 0.00000 0.00000 0.00000 0.25541 0.00000 69 4PY -0.01607 0.00000 0.00000 0.00000 0.32707 70 4PZ 0.00000 -0.01307 0.00000 0.00000 0.00000 71 5XX 0.00000 0.00000 -0.00358 0.00000 0.00000 72 5YY 0.00000 0.00000 -0.01434 0.00000 0.00000 73 5ZZ 0.00000 0.00000 -0.00734 0.00000 0.00000 74 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 75 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 5 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2S 0.00000 0.00000 0.00000 0.00000 0.00000 79 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 80 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 81 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 3S 0.00000 0.00000 0.00000 0.00000 0.00000 83 3PX 0.00000 0.00000 0.00000 0.00000 -0.00001 84 3PY 0.00000 0.00000 -0.00001 -0.00001 -0.00002 85 3PZ 0.00000 0.00000 0.00000 -0.00001 -0.00001 86 4S 0.00000 0.00000 0.00005 0.00004 -0.00030 87 4PX 0.00001 0.00000 -0.00008 -0.00004 -0.00055 88 4PY 0.00001 0.00000 -0.00016 -0.00031 -0.00071 89 4PZ 0.00001 0.00000 -0.00017 -0.00024 -0.00040 90 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 91 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 92 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 94 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 99 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 100 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 3S 0.00000 0.00000 0.00000 0.00000 0.00000 102 3PX 0.00000 0.00000 0.00000 0.00000 -0.00001 103 3PY 0.00000 0.00000 -0.00001 -0.00001 -0.00002 104 3PZ 0.00000 0.00000 0.00000 -0.00001 -0.00001 105 4S 0.00000 0.00000 0.00005 0.00004 -0.00030 106 4PX 0.00001 0.00000 -0.00008 -0.00004 -0.00055 107 4PY 0.00001 0.00000 -0.00016 -0.00031 -0.00071 108 4PZ 0.00001 0.00000 -0.00017 -0.00024 -0.00040 109 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 110 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 111 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 7 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00000 0.00000 0.00000 0.00000 0.00000 117 3S 0.00000 0.00000 0.00000 0.00000 0.00000 118 4S 0.00000 0.00000 0.00000 0.00000 0.00000 119 5S 0.00000 0.00000 0.00000 0.00000 0.00000 120 6S 0.00000 0.00000 0.00003 -0.00014 -0.00007 121 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 122 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX 0.00000 0.00000 0.00000 -0.00002 0.00000 128 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 129 9PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 130 10PX 0.00000 0.00001 -0.00029 -0.00138 -0.00018 131 10PY 0.00000 0.00000 -0.00002 -0.00008 -0.00001 132 10PZ 0.00000 0.00000 -0.00016 -0.00057 -0.00001 133 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00000 0.00000 0.00000 0.00001 0.00000 140 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 141 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 143 12XZ 0.00000 0.00000 0.00000 0.00001 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3S 0.00000 0.00000 0.00000 0.00000 0.00000 148 4S 0.00000 0.00000 0.00000 0.00000 0.00000 149 5S 0.00000 0.00000 0.00000 0.00000 0.00000 150 6S 0.00000 0.00000 0.00003 -0.00014 -0.00007 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00000 0.00000 0.00000 -0.00002 0.00000 158 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 159 9PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 160 10PX 0.00000 0.00001 -0.00029 -0.00138 -0.00018 161 10PY 0.00000 0.00000 -0.00002 -0.00008 -0.00001 162 10PZ 0.00000 0.00000 -0.00016 -0.00057 -0.00001 163 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 164 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 165 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 0.00000 0.00001 0.00000 170 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00001 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 67 68 69 70 66 3PZ 0.94794 67 4S 0.00000 0.24976 68 4PX 0.00000 0.00000 0.18563 69 4PY 0.00000 0.00000 0.00000 0.26718 70 4PZ 0.26113 0.00000 0.00000 0.00000 0.18878 71 5XX 0.00000 -0.00047 0.00000 0.00000 0.00000 72 5YY 0.00000 -0.00412 0.00000 0.00000 0.00000 73 5ZZ 0.00000 -0.00237 0.00000 0.00000 0.00000 74 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 75 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 5 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2S 0.00000 0.00000 0.00000 0.00001 0.00000 79 2PX 0.00000 0.00000 0.00000 0.00001 0.00000 80 2PY 0.00000 0.00000 0.00001 0.00001 0.00000 81 2PZ 0.00000 0.00000 0.00001 0.00001 0.00000 82 3S 0.00000 0.00003 -0.00001 -0.00024 -0.00003 83 3PX -0.00001 -0.00027 -0.00011 -0.00066 -0.00029 84 3PY -0.00001 -0.00003 -0.00036 -0.00069 -0.00025 85 3PZ 0.00000 -0.00025 -0.00035 -0.00037 -0.00007 86 4S 0.00004 0.00007 0.00025 -0.00111 0.00016 87 4PX -0.00021 -0.00109 -0.00019 -0.00238 -0.00098 88 4PY -0.00020 -0.00004 -0.00083 -0.00197 -0.00048 89 4PZ -0.00004 -0.00112 -0.00123 -0.00118 -0.00010 90 5XX 0.00000 0.00000 0.00000 0.00001 0.00000 91 5YY 0.00000 0.00000 0.00000 -0.00001 0.00000 92 5ZZ 0.00000 0.00000 0.00000 0.00001 0.00000 93 5XY 0.00000 -0.00001 0.00000 0.00000 0.00000 94 5XZ 0.00000 0.00000 0.00000 0.00001 0.00000 95 5YZ 0.00000 -0.00001 0.00000 0.00001 0.00000 96 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2S 0.00000 0.00000 0.00000 0.00001 0.00000 98 2PX 0.00000 0.00000 0.00000 0.00001 0.00000 99 2PY 0.00000 0.00000 0.00001 0.00001 0.00000 100 2PZ 0.00000 0.00000 0.00001 0.00001 0.00000 101 3S 0.00000 0.00003 -0.00001 -0.00024 -0.00003 102 3PX -0.00001 -0.00027 -0.00011 -0.00066 -0.00029 103 3PY -0.00001 -0.00003 -0.00036 -0.00069 -0.00025 104 3PZ 0.00000 -0.00025 -0.00035 -0.00037 -0.00007 105 4S 0.00004 0.00007 0.00025 -0.00111 0.00016 106 4PX -0.00021 -0.00109 -0.00019 -0.00238 -0.00098 107 4PY -0.00020 -0.00004 -0.00083 -0.00197 -0.00048 108 4PZ -0.00004 -0.00112 -0.00123 -0.00118 -0.00010 109 5XX 0.00000 0.00000 0.00000 0.00001 0.00000 110 5YY 0.00000 0.00000 0.00000 -0.00001 0.00000 111 5ZZ 0.00000 0.00000 0.00000 0.00001 0.00000 112 5XY 0.00000 -0.00001 0.00000 0.00000 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00001 0.00000 114 5YZ 0.00000 -0.00001 0.00000 0.00001 0.00000 115 7 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 117 3S 0.00000 0.00000 0.00002 0.00000 0.00000 118 4S 0.00000 0.00001 0.00006 0.00001 0.00000 119 5S 0.00000 0.00002 -0.00010 0.00000 -0.00003 120 6S 0.00006 0.00005 -0.00045 -0.00037 0.00025 121 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 122 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00000 0.00001 0.00004 0.00000 0.00001 125 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 8PZ 0.00000 0.00000 0.00002 0.00000 0.00000 127 9PX -0.00001 -0.00024 -0.00118 -0.00008 -0.00037 128 9PY 0.00000 0.00005 0.00001 -0.00001 0.00002 129 9PZ 0.00000 -0.00017 -0.00047 0.00003 -0.00004 130 10PX -0.00039 -0.00168 -0.00564 -0.00069 -0.00174 131 10PY 0.00002 0.00040 0.00017 -0.00007 0.00019 132 10PZ -0.00003 -0.00130 -0.00266 0.00016 -0.00009 133 11XX 0.00000 -0.00001 -0.00003 0.00000 0.00000 134 11YY 0.00000 -0.00001 -0.00002 0.00000 0.00000 135 11ZZ 0.00000 -0.00001 -0.00002 0.00000 0.00000 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00000 -0.00011 -0.00017 0.00001 -0.00004 140 12YY 0.00000 0.00000 -0.00004 0.00000 0.00000 141 12ZZ 0.00000 -0.00002 -0.00005 0.00001 -0.00001 142 12XY 0.00000 0.00000 0.00001 0.00001 0.00001 143 12XZ 0.00000 -0.00003 0.00003 0.00002 0.00001 144 12YZ 0.00000 -0.00001 -0.00001 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 147 3S 0.00000 0.00000 0.00002 0.00000 0.00000 148 4S 0.00000 0.00001 0.00006 0.00001 0.00000 149 5S 0.00000 0.00002 -0.00010 0.00000 -0.00003 150 6S 0.00006 0.00005 -0.00045 -0.00037 0.00025 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00001 0.00004 0.00000 0.00001 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00002 0.00000 0.00000 157 9PX -0.00001 -0.00024 -0.00118 -0.00008 -0.00037 158 9PY 0.00000 0.00005 0.00001 -0.00001 0.00002 159 9PZ 0.00000 -0.00017 -0.00047 0.00003 -0.00004 160 10PX -0.00039 -0.00168 -0.00564 -0.00069 -0.00174 161 10PY 0.00002 0.00040 0.00016 -0.00007 0.00019 162 10PZ -0.00003 -0.00130 -0.00266 0.00016 -0.00009 163 11XX 0.00000 -0.00001 -0.00003 0.00000 0.00000 164 11YY 0.00000 -0.00001 -0.00002 0.00000 0.00000 165 11ZZ 0.00000 -0.00001 -0.00002 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 -0.00011 -0.00017 0.00001 -0.00004 170 12YY 0.00000 0.00000 -0.00004 0.00000 0.00000 171 12ZZ 0.00000 -0.00002 -0.00005 0.00001 -0.00001 172 12XY 0.00000 0.00000 0.00001 0.00001 0.00001 173 12XZ 0.00000 -0.00003 0.00003 0.00002 0.00001 174 12YZ 0.00000 -0.00001 -0.00001 0.00000 0.00000 71 72 73 74 75 71 5XX 0.00096 72 5YY 0.00022 0.00132 73 5ZZ 0.00008 -0.00003 0.00284 74 5XY 0.00000 0.00000 0.00000 0.00029 75 5XZ 0.00000 0.00000 0.00000 0.00000 0.00260 76 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 5 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2S 0.00000 0.00000 0.00000 0.00000 0.00000 79 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 80 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 81 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 3S 0.00000 0.00000 0.00000 0.00000 0.00000 83 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 84 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 85 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 86 4S 0.00000 0.00000 0.00000 0.00000 0.00000 87 4PX 0.00000 0.00003 -0.00001 0.00000 0.00000 88 4PY 0.00000 0.00001 -0.00001 0.00001 0.00000 89 4PZ 0.00001 0.00002 -0.00001 0.00002 0.00000 90 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 91 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 92 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 94 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 99 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 100 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 3S 0.00000 0.00000 0.00000 0.00000 0.00000 102 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 103 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 104 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4S 0.00000 0.00000 0.00000 0.00000 0.00000 106 4PX 0.00000 0.00003 -0.00001 0.00000 0.00000 107 4PY 0.00000 0.00001 -0.00001 0.00001 0.00000 108 4PZ 0.00001 0.00002 -0.00001 0.00002 0.00000 109 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 110 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 111 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 7 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00000 0.00000 0.00000 0.00000 0.00000 117 3S 0.00000 0.00000 0.00000 0.00000 0.00000 118 4S 0.00000 0.00000 0.00000 0.00000 0.00000 119 5S 0.00000 0.00000 0.00000 0.00000 0.00000 120 6S -0.00001 0.00000 0.00000 0.00000 0.00000 121 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 122 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 128 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 129 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 10PX 0.00006 -0.00001 -0.00002 0.00001 0.00002 131 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 132 10PZ 0.00005 0.00000 -0.00001 0.00000 0.00000 133 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 140 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 141 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3S 0.00000 0.00000 0.00000 0.00000 0.00000 148 4S 0.00000 0.00000 0.00000 0.00000 0.00000 149 5S 0.00000 0.00000 0.00000 0.00000 0.00000 150 6S -0.00001 0.00000 0.00000 0.00000 0.00000 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 158 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX 0.00006 -0.00001 -0.00002 0.00001 0.00002 161 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 10PZ 0.00005 0.00000 -0.00001 0.00000 0.00000 163 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 164 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 165 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 77 78 79 80 76 5YZ 0.00127 77 5 Cl 1S 0.00000 2.16060 78 2S 0.00000 -0.16506 2.38949 79 2PX 0.00000 0.00000 0.00000 2.11893 80 2PY 0.00000 0.00000 0.00000 0.00000 2.09615 81 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 3S 0.00000 0.00052 -0.14827 0.00000 0.00000 83 3PX 0.00000 0.00000 0.00000 -0.11036 0.00000 84 3PY 0.00000 0.00000 0.00000 0.00000 -0.08990 85 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 86 4S -0.00001 0.00245 -0.07617 0.00000 0.00000 87 4PX 0.00001 0.00000 0.00000 -0.01598 0.00000 88 4PY 0.00000 0.00000 0.00000 0.00000 -0.00992 89 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 5XX 0.00000 0.00006 -0.00365 0.00000 0.00000 91 5YY 0.00000 0.00006 -0.00489 0.00000 0.00000 92 5ZZ 0.00000 0.00006 -0.00369 0.00000 0.00000 93 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 94 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 99 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 100 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 3S 0.00000 0.00000 0.00000 0.00000 0.00000 102 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 103 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 104 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4S -0.00001 0.00000 0.00000 0.00000 0.00000 106 4PX 0.00001 0.00000 0.00000 0.00000 0.00000 107 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 108 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 109 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 110 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 111 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 7 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00000 0.00000 0.00000 0.00000 0.00000 117 3S 0.00000 0.00000 0.00000 0.00000 0.00000 118 4S 0.00000 0.00000 0.00000 0.00000 0.00000 119 5S 0.00000 0.00000 0.00000 0.00000 0.00000 120 6S 0.00000 0.00000 0.00000 0.00000 0.00000 121 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 122 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 128 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 129 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 131 10PY 0.00000 0.00000 0.00001 0.00001 0.00002 132 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 140 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 141 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3S 0.00000 0.00000 0.00000 0.00000 0.00000 148 4S 0.00000 0.00000 0.00000 0.00000 0.00000 149 5S 0.00000 0.00000 0.00000 0.00000 0.00000 150 6S 0.00000 0.00000 0.00000 0.00000 0.00000 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 158 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 164 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 165 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 82 83 84 85 81 2PZ 2.11805 82 3S 0.00000 1.20401 83 3PX 0.00000 0.00000 1.01779 84 3PY 0.00000 0.00000 0.00000 0.84668 85 3PZ -0.10931 0.00000 0.00000 0.00000 1.00482 86 4S 0.00000 0.42071 0.00000 0.00000 0.00000 87 4PX 0.00000 0.00000 0.32429 0.00000 0.00000 88 4PY 0.00000 0.00000 0.00000 0.19204 0.00000 89 4PZ -0.01626 0.00000 0.00000 0.00000 0.33386 90 5XX 0.00000 -0.01415 0.00000 0.00000 0.00000 91 5YY 0.00000 -0.00262 0.00000 0.00000 0.00000 92 5ZZ 0.00000 -0.01377 0.00000 0.00000 0.00000 93 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 94 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 99 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 100 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 3S 0.00000 0.00000 0.00000 0.00000 0.00000 102 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 103 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 104 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4S 0.00000 0.00000 0.00000 0.00000 0.00000 106 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 107 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 108 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 109 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 110 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 111 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 7 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00000 0.00000 0.00000 0.00000 0.00000 117 3S 0.00000 0.00000 0.00000 0.00000 0.00000 118 4S 0.00000 0.00000 0.00000 0.00000 0.00000 119 5S 0.00000 0.00000 0.00000 0.00000 0.00000 120 6S 0.00000 0.00003 -0.00025 0.00001 0.00000 121 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 122 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 128 9PY 0.00000 0.00000 0.00000 -0.00001 0.00000 129 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 10PX 0.00000 0.00001 -0.00001 -0.00017 0.00000 131 10PY 0.00000 -0.00027 -0.00067 -0.00144 0.00000 132 10PZ 0.00000 0.00000 0.00000 0.00000 -0.00012 133 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 140 12YY 0.00000 0.00000 0.00002 0.00000 0.00000 141 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 12XY 0.00000 0.00000 0.00000 0.00001 0.00000 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3S 0.00000 0.00000 0.00000 0.00000 0.00000 148 4S 0.00000 0.00000 0.00000 0.00000 0.00000 149 5S 0.00000 0.00000 0.00000 0.00000 0.00000 150 6S 0.00000 0.00000 0.00000 0.00000 0.00000 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 158 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 164 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 165 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 86 87 88 89 90 86 4S 0.24557 87 4PX 0.00000 0.26788 88 4PY 0.00000 0.00000 0.11502 89 4PZ 0.00000 0.00000 0.00000 0.28693 90 5XX -0.00290 0.00000 0.00000 0.00000 0.00120 91 5YY -0.00432 0.00000 0.00000 0.00000 -0.00011 92 5ZZ -0.00257 0.00000 0.00000 0.00000 0.00038 93 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 94 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 99 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 100 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 3S 0.00000 0.00000 0.00000 0.00000 0.00000 102 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 103 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 104 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4S 0.00000 0.00000 0.00000 0.00000 0.00000 106 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 107 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 108 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 109 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 110 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 111 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 7 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00000 0.00000 0.00000 0.00000 0.00000 117 3S 0.00000 0.00001 0.00001 0.00000 0.00000 118 4S -0.00001 0.00003 0.00003 0.00000 0.00000 119 5S 0.00005 0.00003 -0.00008 0.00000 0.00000 120 6S -0.00015 -0.00158 0.00000 0.00000 0.00000 121 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 122 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 8PY 0.00001 0.00001 0.00003 0.00000 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX 0.00010 0.00000 -0.00010 0.00000 0.00000 128 9PY -0.00023 -0.00046 -0.00101 0.00000 0.00000 129 9PZ 0.00000 0.00000 0.00000 -0.00010 0.00000 130 10PX 0.00076 0.00001 -0.00011 0.00000 0.00000 131 10PY -0.00202 -0.00358 -0.00531 0.00000 0.00001 132 10PZ 0.00000 0.00000 0.00000 -0.00124 0.00000 133 11XX 0.00000 -0.00001 -0.00001 0.00000 0.00000 134 11YY 0.00001 -0.00001 -0.00001 0.00000 0.00000 135 11ZZ 0.00000 -0.00001 -0.00001 0.00000 0.00000 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00005 0.00004 -0.00002 0.00000 0.00000 140 12YY 0.00003 0.00019 -0.00004 0.00000 0.00000 141 12ZZ 0.00002 0.00003 -0.00004 0.00000 0.00000 142 12XY -0.00002 0.00000 0.00003 0.00000 0.00000 143 12XZ 0.00000 0.00000 0.00000 -0.00001 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3S 0.00000 0.00000 0.00000 0.00000 0.00000 148 4S 0.00000 0.00000 0.00000 0.00000 0.00000 149 5S 0.00000 0.00000 0.00000 0.00000 0.00000 150 6S 0.00000 -0.00001 0.00000 0.00000 0.00000 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 158 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX -0.00001 0.00001 -0.00001 0.00000 0.00000 161 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 164 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 165 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 92 93 94 95 91 5YY 0.00374 92 5ZZ -0.00011 0.00114 93 5XY 0.00000 0.00000 0.00115 94 5XZ 0.00000 0.00000 0.00000 0.00003 95 5YZ 0.00000 0.00000 0.00000 0.00000 0.00112 96 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 99 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 100 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 3S 0.00000 0.00000 0.00000 0.00000 0.00000 102 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 103 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 104 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4S 0.00000 0.00000 0.00000 0.00000 0.00000 106 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 107 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 108 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 109 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 110 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 111 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 7 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00000 0.00000 0.00000 0.00000 0.00000 117 3S 0.00000 0.00000 0.00000 0.00000 0.00000 118 4S 0.00000 0.00000 0.00000 0.00000 0.00000 119 5S 0.00000 0.00000 0.00000 0.00000 0.00000 120 6S 0.00000 0.00000 -0.00001 0.00000 0.00000 121 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 122 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 128 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 129 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 131 10PY 0.00003 0.00000 0.00002 0.00000 0.00000 132 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 140 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 141 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3S 0.00000 0.00000 0.00000 0.00000 0.00000 148 4S 0.00000 0.00000 0.00000 0.00000 0.00000 149 5S 0.00000 0.00000 0.00000 0.00000 0.00000 150 6S 0.00000 0.00000 0.00000 0.00000 0.00000 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 158 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 164 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 165 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 97 98 99 100 96 6 Cl 1S 2.16060 97 2S -0.16506 2.38949 98 2PX 0.00000 0.00000 2.11893 99 2PY 0.00000 0.00000 0.00000 2.09615 100 2PZ 0.00000 0.00000 0.00000 0.00000 2.11805 101 3S 0.00052 -0.14827 0.00000 0.00000 0.00000 102 3PX 0.00000 0.00000 -0.11036 0.00000 0.00000 103 3PY 0.00000 0.00000 0.00000 -0.08990 0.00000 104 3PZ 0.00000 0.00000 0.00000 0.00000 -0.10931 105 4S 0.00245 -0.07617 0.00000 0.00000 0.00000 106 4PX 0.00000 0.00000 -0.01598 0.00000 0.00000 107 4PY 0.00000 0.00000 0.00000 -0.00992 0.00000 108 4PZ 0.00000 0.00000 0.00000 0.00000 -0.01626 109 5XX 0.00006 -0.00365 0.00000 0.00000 0.00000 110 5YY 0.00006 -0.00489 0.00000 0.00000 0.00000 111 5ZZ 0.00006 -0.00369 0.00000 0.00000 0.00000 112 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 7 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00000 0.00000 0.00000 0.00000 0.00000 117 3S 0.00000 0.00000 0.00000 0.00000 0.00000 118 4S 0.00000 0.00000 0.00000 0.00000 0.00000 119 5S 0.00000 0.00000 0.00000 0.00000 0.00000 120 6S 0.00000 0.00000 0.00000 0.00000 0.00000 121 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 122 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 128 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 129 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 131 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 132 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 140 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 141 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3S 0.00000 0.00000 0.00000 0.00000 0.00000 148 4S 0.00000 0.00000 0.00000 0.00000 0.00000 149 5S 0.00000 0.00000 0.00000 0.00000 0.00000 150 6S 0.00000 0.00000 0.00000 0.00000 0.00000 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 158 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 10PY 0.00000 0.00001 0.00001 0.00002 0.00000 162 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 164 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 165 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 102 103 104 105 101 3S 1.20401 102 3PX 0.00000 1.01779 103 3PY 0.00000 0.00000 0.84669 104 3PZ 0.00000 0.00000 0.00000 1.00482 105 4S 0.42071 0.00000 0.00000 0.00000 0.24557 106 4PX 0.00000 0.32428 0.00000 0.00000 0.00000 107 4PY 0.00000 0.00000 0.19205 0.00000 0.00000 108 4PZ 0.00000 0.00000 0.00000 0.33386 0.00000 109 5XX -0.01415 0.00000 0.00000 0.00000 -0.00290 110 5YY -0.00262 0.00000 0.00000 0.00000 -0.00432 111 5ZZ -0.01377 0.00000 0.00000 0.00000 -0.00257 112 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 7 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00000 0.00000 0.00000 0.00000 0.00000 117 3S 0.00000 0.00000 0.00000 0.00000 0.00000 118 4S 0.00000 0.00000 0.00000 0.00000 0.00000 119 5S 0.00000 0.00000 0.00000 0.00000 0.00000 120 6S 0.00000 0.00000 0.00000 0.00000 0.00000 121 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 122 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 128 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 129 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 10PX 0.00000 0.00000 0.00000 0.00000 -0.00001 131 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 132 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 140 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 141 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3S 0.00000 0.00000 0.00000 0.00000 0.00000 148 4S 0.00000 0.00000 0.00000 0.00000 -0.00001 149 5S 0.00000 0.00000 0.00000 0.00000 0.00005 150 6S 0.00003 -0.00025 0.00001 0.00000 -0.00015 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00001 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00000 0.00000 0.00000 0.00000 0.00010 158 9PY 0.00000 0.00000 -0.00001 0.00000 -0.00023 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX 0.00001 -0.00001 -0.00017 0.00000 0.00076 161 10PY -0.00027 -0.00067 -0.00144 0.00000 -0.00202 162 10PZ 0.00000 0.00000 0.00000 -0.00012 0.00000 163 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 164 11YY 0.00000 0.00000 0.00000 0.00000 0.00001 165 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 0.00000 0.00000 0.00005 170 12YY 0.00000 0.00002 0.00000 0.00000 0.00003 171 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00002 172 12XY 0.00000 0.00000 0.00001 0.00000 -0.00002 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 107 108 109 110 106 4PX 0.26788 107 4PY 0.00000 0.11502 108 4PZ 0.00000 0.00000 0.28693 109 5XX 0.00000 0.00000 0.00000 0.00120 110 5YY 0.00000 0.00000 0.00000 -0.00011 0.00374 111 5ZZ 0.00000 0.00000 0.00000 0.00038 -0.00011 112 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 7 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00000 0.00000 0.00000 0.00000 0.00000 117 3S 0.00000 0.00000 0.00000 0.00000 0.00000 118 4S 0.00000 0.00000 0.00000 0.00000 0.00000 119 5S 0.00000 0.00000 0.00000 0.00000 0.00000 120 6S -0.00001 0.00000 0.00000 0.00000 0.00000 121 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 122 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 128 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 129 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 10PX 0.00001 -0.00001 0.00000 0.00000 0.00000 131 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 132 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 140 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 141 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3S 0.00001 0.00001 0.00000 0.00000 0.00000 148 4S 0.00003 0.00003 0.00000 0.00000 0.00000 149 5S 0.00003 -0.00008 0.00000 0.00000 0.00000 150 6S -0.00158 0.00000 0.00000 0.00000 0.00000 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00001 0.00003 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00000 -0.00010 0.00000 0.00000 0.00000 158 9PY -0.00046 -0.00101 0.00000 0.00000 0.00000 159 9PZ 0.00000 0.00000 -0.00010 0.00000 0.00000 160 10PX 0.00001 -0.00011 0.00000 0.00000 0.00000 161 10PY -0.00358 -0.00532 0.00000 0.00001 0.00003 162 10PZ 0.00000 0.00000 -0.00124 0.00000 0.00000 163 11XX -0.00001 -0.00001 0.00000 0.00000 0.00000 164 11YY -0.00001 -0.00001 0.00000 0.00000 0.00000 165 11ZZ -0.00001 -0.00001 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00004 -0.00002 0.00000 0.00000 0.00000 170 12YY 0.00019 -0.00004 0.00000 0.00000 0.00000 171 12ZZ 0.00003 -0.00004 0.00000 0.00000 0.00000 172 12XY 0.00000 0.00003 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 -0.00001 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 112 113 114 115 111 5ZZ 0.00114 112 5XY 0.00000 0.00115 113 5XZ 0.00000 0.00000 0.00003 114 5YZ 0.00000 0.00000 0.00000 0.00112 115 7 Br 1S 0.00000 0.00000 0.00000 0.00000 2.39615 116 2S 0.00000 0.00000 0.00000 0.00000 -0.50323 117 3S 0.00000 0.00000 0.00000 0.00000 0.07240 118 4S 0.00000 0.00000 0.00000 0.00000 0.06063 119 5S 0.00000 0.00000 0.00000 0.00000 0.00348 120 6S 0.00000 0.00000 0.00000 0.00000 0.00280 121 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 122 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 128 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 129 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 131 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 132 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 11XX 0.00000 0.00000 0.00000 0.00000 -0.00973 134 11YY 0.00000 0.00000 0.00000 0.00000 -0.00973 135 11ZZ 0.00000 0.00000 0.00000 0.00000 -0.00973 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00000 0.00000 0.00000 0.00000 -0.00001 140 12YY 0.00000 0.00000 0.00000 0.00000 -0.00001 141 12ZZ 0.00000 0.00000 0.00000 0.00000 -0.00001 142 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3S 0.00000 0.00000 0.00000 0.00000 0.00000 148 4S 0.00000 0.00000 0.00000 0.00000 0.00000 149 5S 0.00000 0.00000 0.00000 0.00000 0.00000 150 6S 0.00000 -0.00001 0.00000 0.00000 0.00000 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 158 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 10PY 0.00000 0.00002 0.00000 0.00000 0.00000 162 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 164 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 165 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 117 118 119 120 116 2S 4.75259 117 3S -1.88779 2.01410 118 4S -1.79421 2.63362 4.46558 119 5S -0.08530 0.03000 -0.04586 1.01474 120 6S -0.08177 0.10547 0.23029 0.54423 0.62910 121 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 122 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 128 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 129 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 131 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 132 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 11XX 0.59284 -0.73022 -1.23023 -0.08482 -0.11955 134 11YY 0.59289 -0.73061 -1.23075 -0.08118 -0.12468 135 11ZZ 0.59321 -0.73118 -1.23231 -0.07928 -0.12626 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00185 -0.01049 -0.05416 -0.01057 -0.09078 140 12YY 0.00185 -0.01049 -0.05408 -0.01382 -0.08886 141 12ZZ 0.00184 -0.01038 -0.05346 -0.01701 -0.08726 142 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3S 0.00000 0.00000 0.00000 0.00000 0.00000 148 4S 0.00000 0.00000 0.00000 0.00000 0.00000 149 5S 0.00000 0.00000 0.00000 0.00000 0.00000 150 6S 0.00000 0.00000 0.00000 0.00000 0.00000 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 158 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 164 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 165 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 122 123 124 125 121 7PX 2.30243 122 7PY 0.00000 2.30346 123 7PZ 0.00000 0.00000 2.30488 124 8PX -0.30781 0.00000 0.00000 2.44747 125 8PY 0.00000 -0.30888 0.00000 0.00000 2.45588 126 8PZ 0.00000 0.00000 -0.31038 0.00000 0.00000 127 9PX 0.00148 0.00000 0.00000 -0.10999 0.00000 128 9PY 0.00000 0.00167 0.00000 0.00000 -0.11591 129 9PZ 0.00000 0.00000 0.00190 0.00000 0.00000 130 10PX 0.00076 0.00000 0.00000 -0.03060 0.00000 131 10PY 0.00000 0.00078 0.00000 0.00000 -0.03358 132 10PZ 0.00000 0.00000 0.00087 0.00000 0.00000 133 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 140 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 141 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3S 0.00000 0.00000 0.00000 0.00000 0.00000 148 4S 0.00000 0.00000 0.00000 0.00000 0.00000 149 5S 0.00000 0.00000 0.00000 0.00000 0.00000 150 6S 0.00000 0.00000 0.00000 0.00000 0.00000 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 158 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 164 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 165 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 127 128 129 130 126 8PZ 2.46805 127 9PX 0.00000 0.64119 128 9PY 0.00000 0.00000 0.66898 129 9PZ -0.12403 0.00000 0.00000 0.70634 130 10PX 0.00000 0.29910 0.00000 0.00000 0.33008 131 10PY 0.00000 0.00000 0.33439 0.00000 0.00000 132 10PZ -0.03870 0.00000 0.00000 0.38966 0.00000 133 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 140 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 141 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3S 0.00000 0.00000 0.00000 0.00000 0.00000 148 4S 0.00000 0.00000 0.00000 0.00000 0.00000 149 5S 0.00000 0.00000 0.00000 0.00000 0.00000 150 6S 0.00000 0.00000 0.00000 0.00000 0.00000 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 158 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 164 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 165 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 132 133 134 135 131 10PY 0.39284 132 10PZ 0.00000 0.49480 133 11XX 0.00000 0.00000 2.71483 134 11YY 0.00000 0.00000 -0.08595 2.71559 135 11ZZ 0.00000 0.00000 -0.08588 -0.08584 2.71675 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00000 0.00000 0.05547 0.01441 0.01454 140 12YY 0.00000 0.00000 0.01423 0.05608 0.01461 141 12ZZ 0.00000 0.00000 0.01413 0.01439 0.05594 142 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3S 0.00000 0.00000 0.00000 0.00000 0.00000 148 4S 0.00000 0.00000 0.00000 0.00000 0.00000 149 5S 0.00000 0.00000 0.00000 0.00000 0.00000 150 6S 0.00000 0.00000 0.00000 0.00000 0.00000 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 158 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 164 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 165 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 137 138 139 140 136 11XY 1.98204 137 11XZ 0.00000 1.98235 138 11YZ 0.00000 0.00000 1.98248 139 12XX 0.00000 0.00000 0.00000 0.08878 140 12YY 0.00000 0.00000 0.00000 0.02772 0.08656 141 12ZZ 0.00000 0.00000 0.00000 0.02749 0.02741 142 12XY 0.00866 0.00000 0.00000 0.00000 0.00000 143 12XZ 0.00000 0.00836 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00831 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3S 0.00000 0.00000 0.00000 0.00000 0.00000 148 4S 0.00000 0.00000 0.00000 0.00000 0.00000 149 5S 0.00000 0.00000 0.00000 0.00000 0.00000 150 6S 0.00000 0.00000 0.00000 0.00000 0.00000 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 158 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 164 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 165 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 142 143 144 145 141 12ZZ 0.08287 142 12XY 0.00000 0.00307 143 12XZ 0.00000 0.00000 0.00246 144 12YZ 0.00000 0.00000 0.00000 0.00186 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 2.39615 146 2S 0.00000 0.00000 0.00000 0.00000 -0.50323 147 3S 0.00000 0.00000 0.00000 0.00000 0.07240 148 4S 0.00000 0.00000 0.00000 0.00000 0.06063 149 5S 0.00000 0.00000 0.00000 0.00000 0.00348 150 6S 0.00000 0.00000 0.00000 0.00000 0.00280 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 158 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 11XX 0.00000 0.00000 0.00000 0.00000 -0.00973 164 11YY 0.00000 0.00000 0.00000 0.00000 -0.00973 165 11ZZ 0.00000 0.00000 0.00000 0.00000 -0.00973 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 0.00000 0.00000 -0.00001 170 12YY 0.00000 0.00000 0.00000 0.00000 -0.00001 171 12ZZ 0.00000 0.00000 0.00000 0.00000 -0.00001 172 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 147 148 149 150 146 2S 4.75259 147 3S -1.88779 2.01410 148 4S -1.79421 2.63362 4.46558 149 5S -0.08530 0.03000 -0.04586 1.01474 150 6S -0.08177 0.10547 0.23030 0.54423 0.62910 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 158 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 11XX 0.59284 -0.73022 -1.23023 -0.08482 -0.11956 164 11YY 0.59289 -0.73061 -1.23075 -0.08119 -0.12468 165 11ZZ 0.59321 -0.73118 -1.23231 -0.07928 -0.12626 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00185 -0.01049 -0.05416 -0.01057 -0.09078 170 12YY 0.00185 -0.01049 -0.05408 -0.01382 -0.08886 171 12ZZ 0.00184 -0.01038 -0.05346 -0.01701 -0.08726 172 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 152 153 154 155 151 7PX 2.30243 152 7PY 0.00000 2.30346 153 7PZ 0.00000 0.00000 2.30488 154 8PX -0.30781 0.00000 0.00000 2.44748 155 8PY 0.00000 -0.30888 0.00000 0.00000 2.45588 156 8PZ 0.00000 0.00000 -0.31038 0.00000 0.00000 157 9PX 0.00148 0.00000 0.00000 -0.11000 0.00000 158 9PY 0.00000 0.00167 0.00000 0.00000 -0.11591 159 9PZ 0.00000 0.00000 0.00190 0.00000 0.00000 160 10PX 0.00076 0.00000 0.00000 -0.03060 0.00000 161 10PY 0.00000 0.00078 0.00000 0.00000 -0.03358 162 10PZ 0.00000 0.00000 0.00087 0.00000 0.00000 163 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 164 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 165 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 157 158 159 160 156 8PZ 2.46805 157 9PX 0.00000 0.64120 158 9PY 0.00000 0.00000 0.66896 159 9PZ -0.12403 0.00000 0.00000 0.70634 160 10PX 0.00000 0.29911 0.00000 0.00000 0.33011 161 10PY 0.00000 0.00000 0.33438 0.00000 0.00000 162 10PZ -0.03870 0.00000 0.00000 0.38966 0.00000 163 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 164 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 165 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 162 163 164 165 161 10PY 0.39282 162 10PZ 0.00000 0.49480 163 11XX 0.00000 0.00000 2.71483 164 11YY 0.00000 0.00000 -0.08595 2.71559 165 11ZZ 0.00000 0.00000 -0.08588 -0.08584 2.71675 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 0.05547 0.01441 0.01454 170 12YY 0.00000 0.00000 0.01423 0.05608 0.01461 171 12ZZ 0.00000 0.00000 0.01413 0.01439 0.05594 172 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 167 168 169 170 166 11XY 1.98204 167 11XZ 0.00000 1.98235 168 11YZ 0.00000 0.00000 1.98248 169 12XX 0.00000 0.00000 0.00000 0.08878 170 12YY 0.00000 0.00000 0.00000 0.02772 0.08657 171 12ZZ 0.00000 0.00000 0.00000 0.02749 0.02741 172 12XY 0.00866 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00836 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00831 0.00000 0.00000 171 172 173 174 171 12ZZ 0.08287 172 12XY 0.00000 0.00307 173 12XZ 0.00000 0.00000 0.00246 174 12YZ 0.00000 0.00000 0.00000 0.00186 Gross orbital populations: 1 1 1 Al 1S 1.99884 2 2S 1.99023 3 2PX 1.98752 4 2PY 1.98846 5 2PZ 1.98732 6 3S 0.87177 7 3PX 0.42811 8 3PY 0.49199 9 3PZ 0.32817 10 4S -0.04263 11 4PX 0.08830 12 4PY 0.05266 13 4PZ 0.06752 14 5XX 0.02053 15 5YY 0.05796 16 5ZZ -0.01408 17 5XY 0.08041 18 5XZ 0.07196 19 5YZ 0.05196 20 2 Al 1S 1.99884 21 2S 1.99023 22 2PX 1.98752 23 2PY 1.98846 24 2PZ 1.98732 25 3S 0.87177 26 3PX 0.42810 27 3PY 0.49200 28 3PZ 0.32817 29 4S -0.04262 30 4PX 0.08830 31 4PY 0.05266 32 4PZ 0.06752 33 5XX 0.02053 34 5YY 0.05796 35 5ZZ -0.01408 36 5XY 0.08041 37 5XZ 0.07197 38 5YZ 0.05196 39 3 Cl 1S 1.99865 40 2S 1.98851 41 2PX 1.99036 42 2PY 1.99176 43 2PZ 1.99084 44 3S 1.45638 45 3PX 1.19018 46 3PY 1.28961 47 3PZ 1.20251 48 4S 0.53770 49 4PX 0.47414 50 4PY 0.59653 51 4PZ 0.47680 52 5XX -0.00671 53 5YY -0.02120 54 5ZZ -0.00648 55 5XY 0.00082 56 5XZ 0.00630 57 5YZ 0.00238 58 4 Cl 1S 1.99865 59 2S 1.98851 60 2PX 1.99036 61 2PY 1.99176 62 2PZ 1.99084 63 3S 1.45638 64 3PX 1.19018 65 3PY 1.28961 66 3PZ 1.20251 67 4S 0.53771 68 4PX 0.47415 69 4PY 0.59653 70 4PZ 0.47681 71 5XX -0.00671 72 5YY -0.02120 73 5ZZ -0.00648 74 5XY 0.00082 75 5XZ 0.00630 76 5YZ 0.00238 77 5 Cl 1S 1.99864 78 2S 1.98843 79 2PX 1.99164 80 2PY 1.99002 81 2PZ 1.99172 82 3S 1.45720 83 3PX 1.26857 84 3PY 1.11778 85 3PZ 1.25896 86 4S 0.53762 87 4PX 0.61186 88 4PY 0.37910 89 4PZ 0.63806 90 5XX -0.02081 91 5YY 0.00264 92 5ZZ -0.02042 93 5XY 0.00225 94 5XZ 0.00007 95 5YZ 0.00202 96 6 Cl 1S 1.99864 97 2S 1.98843 98 2PX 1.99164 99 2PY 1.99002 100 2PZ 1.99172 101 3S 1.45720 102 3PX 1.26857 103 3PY 1.11779 104 3PZ 1.25896 105 4S 0.53762 106 4PX 0.61185 107 4PY 0.37911 108 4PZ 0.63806 109 5XX -0.02081 110 5YY 0.00264 111 5ZZ -0.02042 112 5XY 0.00226 113 5XZ 0.00007 114 5YZ 0.00202 115 7 Br 1S 2.00285 116 2S 2.19078 117 3S 0.73292 118 4S 1.66316 119 5S 1.19800 120 6S 0.70332 121 7PX 1.99694 122 7PY 1.99709 123 7PZ 1.99728 124 8PX 1.99282 125 8PY 1.99317 126 8PZ 1.99368 127 9PX 0.92525 128 9PY 0.95493 129 9PZ 0.99680 130 10PX 0.69696 131 10PY 0.77216 132 10PZ 0.89241 133 11XX 1.05587 134 11YY 1.05640 135 11ZZ 1.05673 136 11XY 1.99036 137 11XZ 1.99066 138 11YZ 1.99075 139 12XX 0.09627 140 12YY 0.08612 141 12ZZ 0.07277 142 12XY 0.01821 143 12XZ 0.01267 144 12YZ 0.01122 145 8 Br 1S 2.00285 146 2S 2.19078 147 3S 0.73292 148 4S 1.66316 149 5S 1.19800 150 6S 0.70333 151 7PX 1.99694 152 7PY 1.99709 153 7PZ 1.99728 154 8PX 1.99282 155 8PY 1.99317 156 8PZ 1.99368 157 9PX 0.92527 158 9PY 0.95491 159 9PZ 0.99681 160 10PX 0.69699 161 10PY 0.77213 162 10PZ 0.89241 163 11XX 1.05587 164 11YY 1.05640 165 11ZZ 1.05673 166 11XY 1.99036 167 11XZ 1.99066 168 11YZ 1.99075 169 12XX 0.09626 170 12YY 0.08612 171 12ZZ 0.07277 172 12XY 0.01821 173 12XZ 0.01267 174 12YZ 0.01122 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Al 11.273477 -0.033209 0.197238 0.197195 0.414128 -0.003732 2 Al -0.033209 11.273481 0.197200 0.197237 -0.003732 0.414129 3 Cl 0.197238 0.197200 16.891014 -0.048729 -0.019332 -0.019330 4 Cl 0.197195 0.197237 -0.048729 16.891033 -0.019330 -0.019331 5 Cl 0.414128 -0.003732 -0.019332 -0.019330 16.841116 -0.000004 6 Cl -0.003732 0.414129 -0.019330 -0.019331 -0.000004 16.841117 7 Br 0.465848 -0.003957 -0.019491 -0.019489 -0.017471 -0.000013 8 Br -0.003957 0.465847 -0.019490 -0.019491 -0.000013 -0.017471 7 8 1 Al 0.465848 -0.003957 2 Al -0.003957 0.465847 3 Cl -0.019491 -0.019490 4 Cl -0.019489 -0.019491 5 Cl -0.017471 -0.000013 6 Cl -0.000013 -0.017471 7 Br 34.733130 -0.000002 8 Br -0.000002 34.733135 Mulliken charges: 1 1 Al 0.493012 2 Al 0.493005 3 Cl -0.159081 4 Cl -0.159096 5 Cl -0.195362 6 Cl -0.195364 7 Br -0.138556 8 Br -0.138557 Sum of Mulliken charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 Al 0.493012 2 Al 0.493005 3 Cl -0.159081 4 Cl -0.159096 5 Cl -0.195362 6 Cl -0.195364 7 Br -0.138556 8 Br -0.138557 Electronic spatial extent (au): = 4837.3560 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.0002 Y= 0.0001 Z= -0.0001 Tot= 0.0002 Quadrupole moment (field-independent basis, Debye-Ang): XX= -116.4841 YY= -120.1029 ZZ= -108.9132 XY= 3.2173 XZ= -0.0003 YZ= 0.0003 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= -1.3174 YY= -4.9362 ZZ= 6.2535 XY= 3.2173 XZ= -0.0003 YZ= 0.0003 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 0.0057 YYY= -0.0051 ZZZ= -0.0006 XYY= 0.0020 XXY= -0.0024 XXZ= -0.0001 XZZ= 0.0012 YZZ= -0.0011 YYZ= -0.0001 XYZ= 0.0000 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -3206.4216 YYYY= -1451.9481 ZZZZ= -523.9359 XXXY= 186.2004 XXXZ= 0.0011 YYYX= 177.3421 YYYZ= -0.0004 ZZZX= 0.0013 ZZZY= 0.0005 XXYY= -780.1157 XXZZ= -614.0336 YYZZ= -328.4392 XXYZ= 0.0019 YYXZ= 0.0006 ZZXY= 39.4652 N-N= 1.673744408014D+03 E-N=-2.114363282484D+04 KE= 7.430280236323D+03 Orbital energies and kinetic energies (alpha): 1 2 1 O -482.928495 583.734354 2 O -482.928395 583.706995 3 O -101.603984 136.906417 4 O -101.603982 136.906431 5 O -101.550328 136.906801 6 O -101.550328 136.906800 7 O -61.891397 119.412135 8 O -61.890450 119.462840 9 O -56.407811 117.126854 10 O -56.407791 117.127638 11 O -56.406034 117.136838 12 O -56.405950 117.140165 13 O -56.405939 117.142990 14 O -56.405924 117.143578 15 O -56.169322 79.149928 16 O -56.169316 79.150756 17 O -9.524376 21.541656 18 O -9.524353 21.542225 19 O -9.468949 21.543767 20 O -9.468940 21.544118 21 O -8.600388 27.590843 22 O -8.600099 27.598755 23 O -7.283107 20.531603 24 O -7.283083 20.536154 25 O -7.282366 20.540454 26 O -7.282362 20.542362 27 O -7.278866 20.545019 28 O -7.278833 20.550671 29 O -7.229320 20.537691 30 O -7.229318 20.537887 31 O -7.224696 20.549362 32 O -7.224693 20.549733 33 O -7.224501 20.546752 34 O -7.224493 20.548132 35 O -6.549251 26.129650 36 O -6.549250 26.129781 37 O -6.542628 26.145220 38 O -6.542626 26.145372 39 O -6.542383 26.142606 40 O -6.542377 26.144053 41 O -4.247042 10.772469 42 O -4.247039 10.773499 43 O -2.801581 9.815826 44 O -2.801579 9.815860 45 O -2.800800 9.808011 46 O -2.800765 9.807795 47 O -2.798907 9.806528 48 O -2.798899 9.808102 49 O -2.665730 21.384393 50 O -2.665728 21.384398 51 O -2.663756 21.394549 52 O -2.663755 21.394553 53 O -2.663562 21.394165 54 O -2.663561 21.394223 55 O -2.658278 21.403023 56 O -2.658276 21.403033 57 O -2.658272 21.402967 58 O -2.658270 21.402976 59 O -0.903437 2.897952 60 O -0.880866 3.162620 61 O -0.831537 3.062518 62 O -0.829669 3.104099 63 O -0.783119 3.745608 64 O -0.782113 3.771964 65 O -0.504760 2.048591 66 O -0.502846 2.145614 67 O -0.456952 2.092865 68 O -0.427991 2.076036 69 O -0.425176 2.244299 70 O -0.406903 2.466141 71 O -0.403723 2.348051 72 O -0.395071 2.263835 73 O -0.388336 2.398821 74 O -0.369808 2.511267 75 O -0.351222 2.176610 76 O -0.348103 2.222113 77 O -0.344511 2.292436 78 O -0.342357 2.327970 79 O -0.325511 2.336126 80 O -0.319767 2.410909 81 O -0.319697 2.439872 82 O -0.317608 2.452046 83 V -0.052855 2.395525 84 V -0.036999 2.679172 85 V -0.025625 1.504818 86 V 0.017752 1.253304 87 V 0.022265 1.681424 88 V 0.032091 1.639386 89 V 0.036549 1.466210 90 V 0.056989 1.327636 91 V 0.081604 1.171033 92 V 0.118423 1.090295 93 V 0.127072 1.421678 94 V 0.149000 1.214100 95 V 0.152022 1.470380 96 V 0.168009 1.573087 97 V 0.179761 1.516737 98 V 0.193165 1.133441 99 V 0.261298 1.485244 100 V 0.294942 2.045653 101 V 0.296919 1.589706 102 V 0.313374 1.890243 103 V 0.314414 1.813444 104 V 0.331503 1.796145 105 V 0.337780 1.804379 106 V 0.370205 1.589238 107 V 0.372552 2.056805 108 V 0.382943 1.771538 109 V 0.391629 2.405147 110 V 0.410870 2.054225 111 V 0.426187 2.199964 112 V 0.439740 2.316611 113 V 0.440551 2.245220 114 V 0.441782 2.172285 115 V 0.444106 2.283973 116 V 0.456435 1.941619 117 V 0.467121 2.968551 118 V 0.484262 2.700011 119 V 0.501034 2.326057 120 V 0.519672 2.157002 121 V 0.529650 2.593390 122 V 0.534401 2.873395 123 V 0.539998 2.874886 124 V 0.548107 2.564808 125 V 0.548451 2.165543 126 V 0.557064 2.437056 127 V 0.571680 2.649814 128 V 0.577499 2.448309 129 V 0.581803 3.109557 130 V 0.610059 2.522095 131 V 0.618499 2.969420 132 V 0.643474 3.219223 133 V 0.647359 2.778837 134 V 0.649918 3.365586 135 V 0.658034 3.192291 136 V 0.662848 2.679860 137 V 0.676574 2.668533 138 V 0.705529 3.011154 139 V 0.712842 2.908354 140 V 0.755475 2.659308 141 V 0.804079 2.688733 142 V 0.824401 2.645213 143 V 0.850103 2.733319 144 V 0.852977 2.626898 145 V 0.857500 2.640443 146 V 0.864913 2.644385 147 V 0.867154 2.650101 148 V 0.891391 2.821535 149 V 0.914886 2.732956 150 V 0.917222 2.771790 151 V 0.952997 3.043064 152 V 0.960760 2.658733 153 V 0.965103 2.673807 154 V 0.973795 2.955821 155 V 1.003192 2.914625 156 V 1.027944 2.883507 157 V 1.096967 2.791414 158 V 1.097316 3.120604 159 V 1.103367 3.185640 160 V 1.152224 2.939175 161 V 1.259510 3.169109 162 V 1.265071 3.164353 163 V 1.675943 6.586562 164 V 1.729893 6.603706 165 V 2.044569 6.208409 166 V 2.050087 6.103567 167 V 4.206918 14.882207 168 V 4.243589 14.796637 169 V 4.262794 14.855090 170 V 4.285530 14.804836 171 V 8.736007 33.742023 172 V 8.791144 33.906320 173 V 75.738879 347.502921 174 V 76.801179 351.638478 Total kinetic energy from orbitals= 7.430280236323D+03 ******************************Gaussian NBO Version 3.1****************************** N A T U R A L A T O M I C O R B I T A L A N D N A T U R A L B O N D O R B I T A L A N A L Y S I S ******************************Gaussian NBO Version 3.1****************************** /RESON / : Allow strongly delocalized NBO set Analyzing the SCF density Job title: Title Card Required Storage needed: 91788 in NPA, 121720 in NBO ( 805305968 available) NATURAL POPULATIONS: Natural atomic orbital occupancies NAO Atom No lang Type(AO) Occupancy Energy ---------------------------------------------------------- 1 Al 1 S Cor( 1S) 2.00000 -55.45007 2 Al 1 S Cor( 2S) 1.99946 -4.93080 3 Al 1 S Val( 3S) 0.62079 -0.22107 4 Al 1 S Ryd( 4S) 0.00095 0.17152 5 Al 1 S Ryd( 5S) 0.00001 1.97368 6 Al 1 px Cor( 2p) 1.99992 -2.79759 7 Al 1 px Val( 3p) 0.33054 -0.05150 8 Al 1 px Ryd( 4p) 0.00604 0.16627 9 Al 1 py Cor( 2p) 1.99995 -2.79530 10 Al 1 py Val( 3p) 0.34010 -0.03158 11 Al 1 py Ryd( 4p) 0.00773 0.17692 12 Al 1 pz Cor( 2p) 1.99992 -2.79960 13 Al 1 pz Val( 3p) 0.30029 -0.05830 14 Al 1 pz Ryd( 4p) 0.00421 0.14694 15 Al 1 dxy Ryd( 3d) 0.01430 0.49103 16 Al 1 dxz Ryd( 3d) 0.01115 0.49666 17 Al 1 dyz Ryd( 3d) 0.00926 0.43096 18 Al 1 dx2y2 Ryd( 3d) 0.01486 0.50958 19 Al 1 dz2 Ryd( 3d) 0.00488 0.47542 20 Al 2 S Cor( 1S) 2.00000 -55.45006 21 Al 2 S Cor( 2S) 1.99946 -4.93080 22 Al 2 S Val( 3S) 0.62079 -0.22107 23 Al 2 S Ryd( 4S) 0.00095 0.17152 24 Al 2 S Ryd( 5S) 0.00001 1.97369 25 Al 2 px Cor( 2p) 1.99992 -2.79758 26 Al 2 px Val( 3p) 0.33054 -0.05150 27 Al 2 px Ryd( 4p) 0.00604 0.16627 28 Al 2 py Cor( 2p) 1.99995 -2.79530 29 Al 2 py Val( 3p) 0.34011 -0.03158 30 Al 2 py Ryd( 4p) 0.00773 0.17692 31 Al 2 pz Cor( 2p) 1.99992 -2.79959 32 Al 2 pz Val( 3p) 0.30029 -0.05829 33 Al 2 pz Ryd( 4p) 0.00421 0.14694 34 Al 2 dxy Ryd( 3d) 0.01430 0.49104 35 Al 2 dxz Ryd( 3d) 0.01115 0.49667 36 Al 2 dyz Ryd( 3d) 0.00926 0.43095 37 Al 2 dx2y2 Ryd( 3d) 0.01486 0.50957 38 Al 2 dz2 Ryd( 3d) 0.00488 0.47543 39 Cl 3 S Cor( 1S) 2.00000 -100.50928 40 Cl 3 S Cor( 2S) 1.99979 -10.28386 41 Cl 3 S Val( 3S) 1.86792 -1.12264 42 Cl 3 S Ryd( 4S) 0.00063 0.73379 43 Cl 3 S Ryd( 5S) 0.00001 4.20446 44 Cl 3 px Cor( 2p) 1.99994 -7.27764 45 Cl 3 px Val( 3p) 1.79231 -0.40580 46 Cl 3 px Ryd( 4p) 0.00016 0.65188 47 Cl 3 py Cor( 2p) 1.99998 -7.27484 48 Cl 3 py Val( 3p) 1.92783 -0.39307 49 Cl 3 py Ryd( 4p) 0.00014 0.54003 50 Cl 3 pz Cor( 2p) 1.99997 -7.27763 51 Cl 3 pz Val( 3p) 1.83876 -0.41719 52 Cl 3 pz Ryd( 4p) 0.00024 0.53861 53 Cl 3 dxy Ryd( 3d) 0.00036 0.84520 54 Cl 3 dxz Ryd( 3d) 0.00306 0.96049 55 Cl 3 dyz Ryd( 3d) 0.00148 0.84028 56 Cl 3 dx2y2 Ryd( 3d) 0.00039 0.84913 57 Cl 3 dz2 Ryd( 3d) 0.00194 0.84566 58 Cl 4 S Cor( 1S) 2.00000 -100.50928 59 Cl 4 S Cor( 2S) 1.99979 -10.28386 60 Cl 4 S Val( 3S) 1.86793 -1.12263 61 Cl 4 S Ryd( 4S) 0.00063 0.73379 62 Cl 4 S Ryd( 5S) 0.00001 4.20446 63 Cl 4 px Cor( 2p) 1.99994 -7.27764 64 Cl 4 px Val( 3p) 1.79231 -0.40580 65 Cl 4 px Ryd( 4p) 0.00016 0.65188 66 Cl 4 py Cor( 2p) 1.99998 -7.27484 67 Cl 4 py Val( 3p) 1.92783 -0.39307 68 Cl 4 py Ryd( 4p) 0.00014 0.54003 69 Cl 4 pz Cor( 2p) 1.99997 -7.27763 70 Cl 4 pz Val( 3p) 1.83875 -0.41718 71 Cl 4 pz Ryd( 4p) 0.00024 0.53862 72 Cl 4 dxy Ryd( 3d) 0.00036 0.84520 73 Cl 4 dxz Ryd( 3d) 0.00306 0.96049 74 Cl 4 dyz Ryd( 3d) 0.00148 0.84028 75 Cl 4 dx2y2 Ryd( 3d) 0.00039 0.84913 76 Cl 4 dz2 Ryd( 3d) 0.00194 0.84566 77 Cl 5 S Cor( 1S) 2.00000 -100.47884 78 Cl 5 S Cor( 2S) 1.99978 -10.19341 79 Cl 5 S Val( 3S) 1.88733 -1.08752 80 Cl 5 S Ryd( 4S) 0.00019 0.70070 81 Cl 5 S Ryd( 5S) 0.00002 4.25528 82 Cl 5 px Cor( 2p) 1.99998 -7.22059 83 Cl 5 px Val( 3p) 1.92955 -0.33702 84 Cl 5 px Ryd( 4p) 0.00029 0.60390 85 Cl 5 py Cor( 2p) 1.99994 -7.22488 86 Cl 5 py Val( 3p) 1.74440 -0.37037 87 Cl 5 py Ryd( 4p) 0.00123 0.50150 88 Cl 5 pz Cor( 2p) 1.99999 -7.22076 89 Cl 5 pz Val( 3p) 1.92538 -0.33815 90 Cl 5 pz Ryd( 4p) 0.00036 0.51405 91 Cl 5 dxy Ryd( 3d) 0.00137 0.90415 92 Cl 5 dxz Ryd( 3d) 0.00003 0.85784 93 Cl 5 dyz Ryd( 3d) 0.00124 0.89171 94 Cl 5 dx2y2 Ryd( 3d) 0.00241 1.02845 95 Cl 5 dz2 Ryd( 3d) 0.00081 0.91623 96 Cl 6 S Cor( 1S) 2.00000 -100.47885 97 Cl 6 S Cor( 2S) 1.99978 -10.19341 98 Cl 6 S Val( 3S) 1.88733 -1.08751 99 Cl 6 S Ryd( 4S) 0.00019 0.70071 100 Cl 6 S Ryd( 5S) 0.00002 4.25528 101 Cl 6 px Cor( 2p) 1.99998 -7.22059 102 Cl 6 px Val( 3p) 1.92955 -0.33702 103 Cl 6 px Ryd( 4p) 0.00029 0.60389 104 Cl 6 py Cor( 2p) 1.99994 -7.22488 105 Cl 6 py Val( 3p) 1.74441 -0.37037 106 Cl 6 py Ryd( 4p) 0.00123 0.50150 107 Cl 6 pz Cor( 2p) 1.99999 -7.22076 108 Cl 6 pz Val( 3p) 1.92538 -0.33814 109 Cl 6 pz Ryd( 4p) 0.00036 0.51405 110 Cl 6 dxy Ryd( 3d) 0.00137 0.90416 111 Cl 6 dxz Ryd( 3d) 0.00003 0.85784 112 Cl 6 dyz Ryd( 3d) 0.00124 0.89171 113 Cl 6 dx2y2 Ryd( 3d) 0.00241 1.02844 114 Cl 6 dz2 Ryd( 3d) 0.00081 0.91623 115 Br 7 S Cor( 1S) 2.00000 -476.57086 116 Br 7 S Cor( 2S) 1.99992 -68.05520 117 Br 7 S Cor( 3S) 1.99979 -8.33491 118 Br 7 S Val( 4S) 1.88571 -1.14554 119 Br 7 S Ryd( 6S) 0.00021 19.35814 120 Br 7 S Ryd( 5S) 0.00017 0.60992 121 Br 7 S Ryd( 8S) 0.00000 44.81715 122 Br 7 S Ryd( 7S) 0.00000 21.99632 123 Br 7 px Cor( 2p) 1.99999 -55.10688 124 Br 7 px Cor( 3p) 1.99993 -7.84021 125 Br 7 px Val( 4p) 1.77165 -0.33164 126 Br 7 px Ryd( 5p) 0.00051 0.83937 127 Br 7 py Cor( 2p) 1.99999 -55.10642 128 Br 7 py Cor( 3p) 1.99995 -7.83889 129 Br 7 py Val( 4p) 1.82766 -0.32550 130 Br 7 py Ryd( 5p) 0.00047 0.67336 131 Br 7 pz Cor( 2p) 2.00000 -55.10572 132 Br 7 pz Cor( 3p) 1.99998 -7.83696 133 Br 7 pz Val( 4p) 1.91223 -0.31590 134 Br 7 pz Ryd( 5p) 0.00020 0.55819 135 Br 7 dxy Cor( 3d) 1.99996 -2.66369 136 Br 7 dxy Ryd( 4d) 0.00244 0.72255 137 Br 7 dxz Cor( 3d) 1.99999 -2.66165 138 Br 7 dxz Ryd( 4d) 0.00154 0.50510 139 Br 7 dyz Cor( 3d) 1.99999 -2.66035 140 Br 7 dyz Ryd( 4d) 0.00099 0.48913 141 Br 7 dx2y2 Cor( 3d) 1.99998 -2.66354 142 Br 7 dx2y2 Ryd( 4d) 0.00241 0.55950 143 Br 7 dz2 Cor( 3d) 1.99998 -2.66021 144 Br 7 dz2 Ryd( 4d) 0.00077 0.54908 145 Br 8 S Cor( 1S) 2.00000 -476.57086 146 Br 8 S Cor( 2S) 1.99992 -68.05520 147 Br 8 S Cor( 3S) 1.99979 -8.33490 148 Br 8 S Val( 4S) 1.88572 -1.14554 149 Br 8 S Ryd( 6S) 0.00021 19.35818 150 Br 8 S Ryd( 5S) 0.00017 0.60997 151 Br 8 S Ryd( 8S) 0.00000 44.81693 152 Br 8 S Ryd( 7S) 0.00000 21.99644 153 Br 8 px Cor( 2p) 1.99999 -55.10688 154 Br 8 px Cor( 3p) 1.99993 -7.84021 155 Br 8 px Val( 4p) 1.77168 -0.33164 156 Br 8 px Ryd( 5p) 0.00051 0.83936 157 Br 8 py Cor( 2p) 1.99999 -55.10642 158 Br 8 py Cor( 3p) 1.99995 -7.83889 159 Br 8 py Val( 4p) 1.82764 -0.32550 160 Br 8 py Ryd( 5p) 0.00047 0.67339 161 Br 8 pz Cor( 2p) 2.00000 -55.10572 162 Br 8 pz Cor( 3p) 1.99998 -7.83696 163 Br 8 pz Val( 4p) 1.91223 -0.31589 164 Br 8 pz Ryd( 5p) 0.00020 0.55819 165 Br 8 dxy Cor( 3d) 1.99996 -2.66368 166 Br 8 dxy Ryd( 4d) 0.00244 0.72257 167 Br 8 dxz Cor( 3d) 1.99999 -2.66165 168 Br 8 dxz Ryd( 4d) 0.00154 0.50510 169 Br 8 dyz Cor( 3d) 1.99999 -2.66035 170 Br 8 dyz Ryd( 4d) 0.00099 0.48914 171 Br 8 dx2y2 Cor( 3d) 1.99998 -2.66354 172 Br 8 dx2y2 Ryd( 4d) 0.00241 0.55948 173 Br 8 dz2 Cor( 3d) 1.99998 -2.66021 174 Br 8 dz2 Ryd( 4d) 0.00077 0.54908 WARNING: Population inversion found on atom Br 7 Population inversion found on atom Br 8 Summary of Natural Population Analysis: Natural Population Natural ----------------------------------------------- Atom No Charge Core Valence Rydberg Total ----------------------------------------------------------------------- Al 1 1.33562 9.99926 1.59173 0.07339 11.66438 Al 2 1.33562 9.99926 1.59173 0.07339 11.66438 Cl 3 -0.43491 9.99969 7.42681 0.00841 17.43491 Cl 4 -0.43491 9.99969 7.42682 0.00841 17.43491 Cl 5 -0.49430 9.99970 7.48666 0.00793 17.49430 Cl 6 -0.49430 9.99970 7.48667 0.00793 17.49430 Br 7 -0.40641 27.99945 7.39726 0.00971 35.40641 Br 8 -0.40642 27.99945 7.39726 0.00971 35.40642 ======================================================================= * Total * 0.00000 115.99618 47.80493 0.19888 164.00000 Natural Population -------------------------------------------------------- Core 115.99618 ( 99.9967% of 116) Valence 47.80493 ( 99.5936% of 48) Natural Minimal Basis 163.80112 ( 99.8787% of 164) Natural Rydberg Basis 0.19888 ( 0.1213% of 164) -------------------------------------------------------- Atom No Natural Electron Configuration ---------------------------------------------------------------------------- Al 1 [core]3S( 0.62)3p( 0.97)3d( 0.05)4p( 0.02) Al 2 [core]3S( 0.62)3p( 0.97)3d( 0.05)4p( 0.02) Cl 3 [core]3S( 1.87)3p( 5.56)3d( 0.01) Cl 4 [core]3S( 1.87)3p( 5.56)3d( 0.01) Cl 5 [core]3S( 1.89)3p( 5.60)3d( 0.01) Cl 6 [core]3S( 1.89)3p( 5.60)3d( 0.01) Br 7 [core]4S( 1.89)4p( 5.51)4d( 0.01) Br 8 [core]4S( 1.89)4p( 5.51)4d( 0.01) NATURAL BOND ORBITAL ANALYSIS: Occupancies Lewis Structure Low High Occ. ------------------- ----------------- occ occ Cycle Thresh. Lewis Non-Lewis CR BD 3C LP (L) (NL) Dev ============================================================================= 1(1) 1.90 162.96574 1.03426 58 8 0 16 0 4 0.04 ----------------------------------------------------------------------------- Structure accepted: No low occupancy Lewis orbitals -------------------------------------------------------- Core 115.99616 ( 99.997% of 116) Valence Lewis 46.96958 ( 97.853% of 48) ================== ============================ Total Lewis 162.96574 ( 99.369% of 164) ----------------------------------------------------- Valence non-Lewis 0.84558 ( 0.516% of 164) Rydberg non-Lewis 0.18868 ( 0.115% of 164) ================== ============================ Total non-Lewis 1.03426 ( 0.631% of 164) -------------------------------------------------------- (Occupancy) Bond orbital/ Coefficients/ Hybrids --------------------------------------------------------------------------------- 1. (1.96833) BD ( 1)Al 1 -Cl 3 ( 11.99%) 0.3463*Al 1 s( 20.06%)p 3.82( 76.73%)d 0.16( 3.21%) 0.0000 -0.0010 0.4477 0.0136 -0.0009 0.0002 -0.4976 -0.0163 -0.0001 0.2044 0.0064 -0.0002 -0.6894 -0.0484 -0.0602 0.1384 -0.0570 0.0640 0.0448 ( 88.01%) 0.9381*Cl 3 s( 22.42%)p 3.45( 77.45%)d 0.01( 0.13%) 0.0000 -0.0002 0.4734 0.0075 -0.0008 0.0000 0.6570 0.0009 0.0000 -0.2595 -0.0002 0.0000 0.5248 -0.0048 -0.0069 0.0284 -0.0112 0.0074 0.0178 2. (1.96833) BD ( 1)Al 1 -Cl 4 ( 11.99%) 0.3463*Al 1 s( 20.06%)p 3.83( 76.73%)d 0.16( 3.21%) 0.0000 0.0010 -0.4477 -0.0136 0.0009 -0.0002 0.4976 0.0163 0.0001 -0.2044 -0.0064 -0.0002 -0.6894 -0.0484 0.0602 0.1384 -0.0570 -0.0640 -0.0448 ( 88.01%) 0.9381*Cl 4 s( 22.41%)p 3.46( 77.45%)d 0.01( 0.13%) 0.0000 0.0002 -0.4734 -0.0075 0.0008 0.0000 -0.6571 -0.0009 0.0000 0.2596 0.0002 0.0000 0.5248 -0.0048 0.0069 0.0284 -0.0112 -0.0074 -0.0178 3. (1.97667) BD ( 1)Al 1 -Cl 5 ( 17.23%) 0.4151*Al 1 s( 29.52%)p 2.30( 67.83%)d 0.09( 2.65%) 0.0000 -0.0001 0.5431 -0.0119 -0.0016 0.0000 0.1311 0.0071 0.0000 -0.8114 -0.0523 0.0000 0.0000 0.0000 -0.0175 0.0000 0.0000 -0.1451 -0.0719 ( 82.77%) 0.9098*Cl 5 s( 28.85%)p 2.46( 70.97%)d 0.01( 0.18%) 0.0000 0.0000 0.5371 -0.0004 -0.0025 0.0000 -0.0882 -0.0003 0.0000 0.8374 -0.0249 0.0000 0.0000 0.0000 -0.0081 0.0000 0.0000 -0.0360 -0.0209 4. (1.97138) BD ( 1)Al 1 -Br 7 ( 20.27%) 0.4503*Al 1 s( 30.25%)p 2.23( 67.51%)d 0.07( 2.24%) 0.0000 0.0001 -0.5500 0.0026 -0.0024 -0.0001 -0.6689 -0.0463 0.0000 -0.4735 -0.0366 0.0000 0.0000 0.0000 -0.1343 0.0000 0.0000 -0.0195 0.0628 ( 79.73%) 0.8929*Br 7 s( 24.27%)p 3.11( 75.54%)d 0.01( 0.19%) 0.0000 0.0000 0.0000 -0.4925 0.0098 -0.0011 0.0002 0.0000 0.0000 0.0000 0.6812 0.0143 0.0000 0.0000 0.5394 0.0144 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0368 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0098 0.0000 0.0210 5. (1.96833) BD ( 1)Al 2 -Cl 3 ( 11.99%) 0.3463*Al 2 s( 20.06%)p 3.83( 76.73%)d 0.16( 3.21%) 0.0000 -0.0010 0.4477 0.0136 -0.0009 -0.0002 0.4976 0.0163 0.0001 -0.2044 -0.0064 -0.0002 -0.6894 -0.0484 -0.0601 -0.1384 0.0570 0.0640 0.0448 ( 88.01%) 0.9381*Cl 3 s( 22.41%)p 3.46( 77.45%)d 0.01( 0.13%) 0.0000 -0.0002 0.4734 0.0075 -0.0008 0.0000 -0.6571 -0.0009 0.0000 0.2595 0.0002 0.0000 0.5248 -0.0048 -0.0069 -0.0284 0.0112 0.0074 0.0178 6. (1.96833) BD ( 1)Al 2 -Cl 4 ( 11.99%) 0.3463*Al 2 s( 20.06%)p 3.82( 76.73%)d 0.16( 3.21%) 0.0000 0.0010 -0.4477 -0.0136 0.0009 0.0002 -0.4976 -0.0163 -0.0001 0.2044 0.0064 -0.0002 -0.6894 -0.0484 0.0601 -0.1384 0.0570 -0.0640 -0.0448 ( 88.01%) 0.9381*Cl 4 s( 22.42%)p 3.46( 77.45%)d 0.01( 0.13%) 0.0000 0.0002 -0.4734 -0.0075 0.0008 0.0000 0.6571 0.0009 0.0000 -0.2595 -0.0002 0.0000 0.5248 -0.0048 0.0069 -0.0284 0.0112 -0.0074 -0.0178 7. (1.97667) BD ( 1)Al 2 -Cl 6 ( 17.23%) 0.4151*Al 2 s( 29.52%)p 2.30( 67.83%)d 0.09( 2.65%) 0.0000 0.0001 -0.5431 0.0119 0.0016 0.0000 0.1312 0.0071 0.0000 -0.8114 -0.0523 0.0000 0.0000 0.0000 0.0175 0.0000 0.0000 0.1451 0.0719 ( 82.77%) 0.9098*Cl 6 s( 28.85%)p 2.46( 70.97%)d 0.01( 0.18%) 0.0000 0.0000 -0.5371 0.0004 0.0025 0.0000 -0.0883 -0.0003 0.0000 0.8374 -0.0249 0.0000 0.0000 0.0000 0.0082 0.0000 0.0000 0.0360 0.0209 8. (1.97138) BD ( 1)Al 2 -Br 8 ( 20.27%) 0.4503*Al 2 s( 30.25%)p 2.23( 67.51%)d 0.07( 2.24%) 0.0000 -0.0001 0.5500 -0.0026 0.0024 -0.0001 -0.6688 -0.0463 0.0000 -0.4736 -0.0366 0.0000 0.0000 0.0000 0.1343 0.0000 0.0000 0.0195 -0.0628 ( 79.73%) 0.8929*Br 8 s( 24.27%)p 3.11( 75.54%)d 0.01( 0.19%) 0.0000 0.0000 0.0000 0.4925 -0.0098 0.0011 -0.0002 0.0000 0.0000 0.0000 0.6811 0.0143 0.0000 0.0000 0.5395 0.0144 0.0000 0.0000 0.0000 0.0000 0.0000 0.0368 0.0000 0.0000 0.0000 0.0000 0.0000 0.0098 0.0000 -0.0210 9. (2.00000) CR ( 1)Al 1 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 10. (1.99946) CR ( 2)Al 1 s(100.00%)p 0.00( 0.00%)d 0.00( 0.00%) 0.0000 1.0000 0.0010 0.0000 0.0000 0.0000 -0.0009 0.0000 0.0000 0.0004 0.0000 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0001 0.0001 11. (1.99993) CR ( 3)Al 1 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0003 0.0000 0.0000 -1.0000 -0.0002 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 12. (1.99995) CR ( 4)Al 1 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 -0.0001 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 13. (1.99991) CR ( 5)Al 1 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 -0.0003 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 14. (2.00000) CR ( 1)Al 2 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 15. (1.99946) CR ( 2)Al 2 s(100.00%)p 0.00( 0.00%)d 0.00( 0.00%) 0.0000 1.0000 0.0010 0.0000 0.0000 0.0000 0.0009 0.0000 0.0000 -0.0004 0.0000 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0001 0.0001 16. (1.99993) CR ( 3)Al 2 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0003 0.0000 0.0000 1.0000 0.0002 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 17. (1.99995) CR ( 4)Al 2 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0001 0.0000 -1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 18. (1.99991) CR ( 5)Al 2 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 -0.0003 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 19. (2.00000) CR ( 1)Cl 3 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 20. (1.99979) CR ( 2)Cl 3 s(100.00%) 0.0000 1.0000 0.0003 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 21. (1.99994) CR ( 3)Cl 3 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 22. (1.99998) CR ( 4)Cl 3 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 23. (1.99997) CR ( 5)Cl 3 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 24. (2.00000) CR ( 1)Cl 4 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 25. (1.99979) CR ( 2)Cl 4 s(100.00%) 0.0000 1.0000 0.0003 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 26. (1.99994) CR ( 3)Cl 4 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 27. (1.99998) CR ( 4)Cl 4 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 28. (1.99997) CR ( 5)Cl 4 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 29. (2.00000) CR ( 1)Cl 5 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 30. (1.99978) CR ( 2)Cl 5 s(100.00%)p 0.00( 0.00%) 0.0000 1.0000 0.0003 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 31. (1.99998) CR ( 3)Cl 5 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 32. (1.99994) CR ( 4)Cl 5 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 33. (1.99999) CR ( 5)Cl 5 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 34. (2.00000) CR ( 1)Cl 6 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 35. (1.99978) CR ( 2)Cl 6 s(100.00%)p 0.00( 0.00%) 0.0000 1.0000 0.0003 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 36. (1.99998) CR ( 3)Cl 6 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 37. (1.99994) CR ( 4)Cl 6 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 -1.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 38. (1.99999) CR ( 5)Cl 6 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 39. (2.00000) CR ( 1)Br 7 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 40. (1.99992) CR ( 2)Br 7 s(100.00%) 0.0000 1.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 41. (1.99979) CR ( 3)Br 7 s(100.00%)p 0.00( 0.00%) 0.0000 0.0000 1.0000 -0.0003 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 42. (1.99999) CR ( 4)Br 7 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 43. (1.99993) CR ( 5)Br 7 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0001 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 44. (1.99999) CR ( 6)Br 7 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 45. (1.99995) CR ( 7)Br 7 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 46. (2.00000) CR ( 8)Br 7 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 47. (1.99998) CR ( 9)Br 7 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 48. (1.99996) CR (10)Br 7 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 49. (1.99999) CR (11)Br 7 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0002 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 50. (1.99999) CR (12)Br 7 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 51. (1.99998) CR (13)Br 7 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0002 0.0000 0.0000 0.0000 0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 52. (1.99998) CR (14)Br 7 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 53. (2.00000) CR ( 1)Br 8 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 54. (1.99992) CR ( 2)Br 8 s(100.00%) 0.0000 1.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 55. (1.99979) CR ( 3)Br 8 s(100.00%)p 0.00( 0.00%) 0.0000 0.0000 1.0000 -0.0003 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 56. (1.99999) CR ( 4)Br 8 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 57. (1.99993) CR ( 5)Br 8 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 -1.0000 -0.0001 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 58. (1.99999) CR ( 6)Br 8 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 59. (1.99995) CR ( 7)Br 8 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 -1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 60. (2.00000) CR ( 8)Br 8 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 61. (1.99998) CR ( 9)Br 8 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 62. (1.99996) CR (10)Br 8 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 63. (1.99999) CR (11)Br 8 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0002 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 64. (1.99999) CR (12)Br 8 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 65. (1.99998) CR (13)Br 8 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0002 0.0000 0.0000 0.0000 -0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 66. (1.99998) CR (14)Br 8 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 67. (1.98250) LP ( 1)Cl 3 s( 55.18%)p 0.81( 44.80%)d 0.00( 0.03%) 0.0000 -0.0002 0.7428 -0.0084 0.0008 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0001 -0.6693 0.0040 -0.0003 0.0000 0.0000 0.0004 -0.0168 68. (1.95396) LP ( 2)Cl 3 s( 0.00%)p 1.00( 99.95%)d 0.00( 0.05%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.3673 0.0021 -0.0001 0.9298 0.0052 0.0000 0.0000 0.0000 0.0000 0.0083 0.0213 0.0000 0.0000 69. (1.98250) LP ( 1)Cl 4 s( 55.18%)p 0.81( 44.79%)d 0.00( 0.03%) 0.0000 -0.0002 0.7428 -0.0084 0.0008 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0001 0.6693 -0.0040 -0.0003 0.0000 0.0000 0.0004 -0.0168 70. (1.95397) LP ( 2)Cl 4 s( 0.00%)p 1.00( 99.95%)d 0.00( 0.05%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.3673 0.0021 -0.0001 0.9298 0.0052 0.0000 -0.0001 0.0000 0.0000 -0.0083 -0.0213 0.0000 0.0000 71. (1.98410) LP ( 1)Cl 5 s( 71.13%)p 0.41( 28.86%)d 0.00( 0.02%) 0.0000 -0.0004 0.8434 0.0004 0.0013 0.0000 0.0502 -0.0003 -0.0002 -0.5348 0.0085 0.0000 0.0000 0.0000 0.0024 0.0000 0.0000 0.0107 0.0065 72. (1.93307) LP ( 2)Cl 5 s( 0.00%)p 1.00( 99.94%)d 0.00( 0.06%) 0.0000 0.0000 0.0051 -0.0004 0.0004 0.0000 0.9945 0.0107 0.0000 0.1015 0.0011 0.0000 0.0002 0.0000 0.0240 0.0000 0.0000 -0.0058 0.0004 73. (1.92680) LP ( 3)Cl 5 s( 0.00%)p 1.00( 99.94%)d 0.00( 0.06%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.9996 0.0116 0.0000 -0.0026 0.0244 0.0000 0.0000 74. (1.98410) LP ( 1)Cl 6 s( 71.13%)p 0.41( 28.86%)d 0.00( 0.02%) 0.0000 -0.0004 0.8434 0.0004 0.0013 0.0000 -0.0503 0.0003 0.0002 0.5348 -0.0085 0.0000 0.0000 0.0000 0.0024 0.0000 0.0000 0.0107 0.0065 75. (1.93307) LP ( 2)Cl 6 s( 0.00%)p 1.00( 99.94%)d 0.00( 0.06%) 0.0000 0.0000 0.0051 -0.0004 0.0004 0.0000 -0.9944 -0.0107 0.0000 -0.1016 -0.0011 0.0000 -0.0002 0.0000 0.0240 0.0000 0.0000 -0.0058 0.0004 76. (1.92680) LP ( 3)Cl 6 s( 0.00%)p 1.00( 99.94%)d 0.00( 0.06%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.9996 0.0116 0.0000 0.0026 -0.0244 0.0000 0.0000 77. (1.98212) LP ( 1)Br 7 s( 75.71%)p 0.32( 24.28%)d 0.00( 0.01%) 0.0000 -0.0002 0.0003 0.8701 0.0044 -0.0003 0.0000 0.0000 0.0000 -0.0002 0.3806 0.0031 0.0000 -0.0002 0.3129 0.0030 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0071 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0015 0.0000 0.0044 78. (1.92272) LP ( 2)Br 7 s( 0.01%)p 1.00( 99.87%)d 0.00( 0.12%) 0.0000 0.0000 0.0000 0.0079 0.0006 0.0000 0.0001 0.0000 0.0000 0.0000 0.6239 -0.0046 0.0000 0.0000 -0.7807 0.0061 0.0000 0.0000 0.0002 0.0000 -0.0001 0.0091 0.0000 0.0000 0.0000 0.0000 0.0003 -0.0333 0.0000 0.0011 79. (1.91480) LP ( 3)Br 7 s( 0.00%)p 1.00( 99.87%)d 0.00( 0.13%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0002 0.0000 0.0000 0.0000 0.0002 0.0000 0.0001 0.0000 0.9993 -0.0090 0.0000 0.0000 0.0002 -0.0277 0.0002 -0.0222 0.0000 0.0000 0.0000 0.0000 80. (1.98212) LP ( 1)Br 8 s( 75.71%)p 0.32( 24.28%)d 0.00( 0.01%) 0.0000 -0.0002 0.0003 0.8701 0.0044 -0.0003 0.0000 0.0000 0.0000 0.0002 -0.3805 -0.0031 0.0000 0.0002 -0.3130 -0.0030 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0071 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0015 0.0000 0.0044 81. (1.92272) LP ( 2)Br 8 s( 0.01%)p 1.00( 99.87%)d 0.00( 0.12%) 0.0000 0.0000 0.0000 0.0079 0.0006 0.0000 0.0001 0.0000 0.0000 0.0000 -0.6239 0.0046 0.0000 0.0000 0.7806 -0.0061 0.0000 0.0000 -0.0002 0.0000 -0.0001 0.0091 0.0000 0.0000 0.0000 0.0000 0.0003 -0.0333 0.0000 0.0011 82. (1.91480) LP ( 3)Br 8 s( 0.00%)p 1.00( 99.87%)d 0.00( 0.13%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0001 0.0000 0.0001 0.0000 0.9993 -0.0090 0.0000 0.0000 -0.0002 0.0277 -0.0002 0.0222 0.0000 0.0000 0.0000 0.0000 83. (0.02709) RY*( 1)Al 1 s( 0.10%)p99.99( 20.23%)d99.99( 79.67%) 0.0000 0.0000 0.0288 0.0110 -0.0090 0.0000 0.1674 -0.3305 0.0000 -0.1112 0.2295 0.0000 0.0001 -0.0001 -0.4779 0.0002 -0.0001 0.6994 0.2812 84. (0.02372) RY*( 2)Al 1 s( 0.00%)p 1.00( 20.92%)d 3.78( 79.08%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 -0.0001 0.0000 0.2206 -0.4007 0.0001 0.8447 -0.2778 -0.0002 -0.0001 85. (0.01903) RY*( 3)Al 1 s( 0.03%)p99.99( 32.32%)d99.99( 67.65%) 0.0000 0.0000 0.0066 0.0145 -0.0073 0.0000 0.0943 -0.2671 0.0000 0.1400 -0.4726 0.0000 0.0000 0.0000 -0.6831 -0.0001 -0.0001 -0.4560 0.0427 86. (0.00910) RY*( 4)Al 1 s( 0.00%)p 1.00( 0.31%)d99.99( 99.69%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0164 -0.0528 0.0000 0.2931 0.9545 0.0000 0.0000 87. (0.00457) RY*( 5)Al 1 s( 0.56%)p99.99( 69.32%)d54.08( 30.13%) 0.0000 0.0000 0.0058 0.0742 -0.0054 0.0000 -0.0118 -0.5155 0.0000 -0.0253 -0.6532 0.0000 0.0000 0.0000 0.4755 0.0000 0.0000 0.2654 0.0689 88. (0.00302) RY*( 6)Al 1 s( 3.87%)p 9.58( 37.12%)d15.24( 59.01%) 0.0000 0.0000 0.0196 0.1956 -0.0094 0.0000 0.0140 -0.4436 0.0000 0.0032 0.4174 0.0000 0.0000 -0.0003 0.2217 -0.0001 0.0000 -0.4391 0.5900 89. (0.00197) RY*( 7)Al 1 s( 0.00%)p 1.00( 83.25%)d 0.20( 16.75%) 0.0000 0.0000 0.0000 0.0002 0.0000 0.0000 0.0000 -0.0002 0.0000 0.0000 0.0001 0.0000 0.0229 0.9121 0.0001 0.4027 -0.0728 -0.0001 0.0001 90. (0.00179) RY*( 8)Al 1 s( 7.15%)p 5.28( 37.78%)d 7.70( 55.07%) 0.0000 0.0000 -0.0182 0.2658 0.0223 0.0000 -0.0481 -0.5205 0.0000 0.0271 0.3222 0.0000 0.0000 -0.0001 -0.0231 0.0000 0.0000 -0.0575 -0.7395 91. (0.00061) RY*( 9)Al 1 s( 88.49%)p 0.11( 9.94%)d 0.02( 1.57%) 0.0000 0.0000 -0.0043 0.9405 -0.0176 0.0000 0.0260 0.2887 0.0000 -0.0220 -0.1223 0.0000 0.0000 -0.0001 -0.0590 0.0000 0.0000 0.0818 0.0742 92. (0.00001) RY*(10)Al 1 s( 99.91%)p 0.00( 0.01%)d 0.00( 0.08%) 93. (0.02709) RY*( 1)Al 2 s( 0.10%)p99.99( 20.23%)d99.99( 79.67%) 0.0000 0.0000 0.0288 0.0110 -0.0090 0.0000 -0.1674 0.3305 0.0000 0.1112 -0.2295 0.0000 -0.0001 0.0001 -0.4778 0.0002 0.0000 0.6995 0.2812 94. (0.02372) RY*( 2)Al 2 s( 0.00%)p 1.00( 20.92%)d 3.78( 79.08%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0001 0.0000 -0.2206 0.4007 0.0001 0.8448 -0.2777 -0.0002 0.0000 95. (0.01903) RY*( 3)Al 2 s( 0.03%)p99.99( 32.32%)d99.99( 67.65%) 0.0000 0.0000 0.0066 0.0145 -0.0073 0.0000 -0.0943 0.2671 0.0000 -0.1401 0.4726 0.0000 0.0000 0.0000 -0.6832 0.0000 -0.0001 -0.4559 0.0427 96. (0.00910) RY*( 4)Al 2 s( 0.00%)p 1.00( 0.31%)d99.99( 99.69%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0164 0.0528 0.0000 0.2930 0.9545 0.0000 0.0000 97. (0.00457) RY*( 5)Al 2 s( 0.56%)p99.99( 69.32%)d54.07( 30.13%) 0.0000 0.0000 0.0058 0.0742 -0.0054 0.0000 0.0118 0.5154 0.0000 0.0253 0.6533 0.0000 0.0000 0.0000 0.4756 0.0000 0.0000 0.2652 0.0690 98. (0.00302) RY*( 6)Al 2 s( 3.87%)p 9.59( 37.12%)d15.24( 59.01%) 0.0000 0.0000 0.0196 0.1956 -0.0094 0.0000 -0.0140 0.4436 0.0000 -0.0032 -0.4174 0.0000 0.0000 0.0002 0.2216 -0.0001 0.0000 -0.4391 0.5900 99. (0.00197) RY*( 7)Al 2 s( 0.00%)p 1.00( 83.25%)d 0.20( 16.75%) 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 -0.0001 0.0000 -0.0229 -0.9121 0.0001 0.4027 -0.0728 -0.0001 0.0001 100. (0.00179) RY*( 8)Al 2 s( 7.15%)p 5.28( 37.78%)d 7.70( 55.07%) 0.0000 0.0000 -0.0182 0.2659 0.0223 0.0000 0.0481 0.5205 0.0000 -0.0271 -0.3222 0.0000 0.0000 0.0001 -0.0231 0.0000 0.0000 -0.0575 -0.7395 101. (0.00061) RY*( 9)Al 2 s( 88.49%)p 0.11( 9.94%)d 0.02( 1.57%) 0.0000 0.0000 -0.0043 0.9405 -0.0176 0.0000 -0.0260 -0.2887 0.0000 0.0220 0.1223 0.0000 0.0000 0.0001 -0.0590 0.0000 0.0000 0.0818 0.0742 102. (0.00001) RY*(10)Al 2 s( 99.91%)p 0.00( 0.01%)d 0.00( 0.08%) 103. (0.00039) RY*( 1)Cl 3 s( 0.15%)p56.92( 8.47%)d99.99( 91.38%) 0.0000 0.0000 -0.0002 0.0262 0.0283 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0225 0.2901 -0.1524 0.0000 0.0001 0.4425 -0.8336 104. (0.00033) RY*( 2)Cl 3 s( 73.19%)p 0.17( 12.14%)d 0.20( 14.67%) 0.0000 0.0000 0.0005 0.8488 0.1068 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 -0.0086 0.3484 -0.2209 -0.0001 0.0000 -0.3118 0.0261 105. (0.00028) RY*( 3)Cl 3 s( 11.18%)p 0.12( 1.35%)d 7.82( 87.47%) 0.0000 0.0000 -0.0001 0.3320 0.0398 0.0000 0.0000 -0.0001 0.0000 0.0000 -0.0001 0.0000 -0.0088 0.1159 0.7255 -0.0002 0.0001 0.5509 0.2117 106. (0.00025) RY*( 4)Cl 3 s( 0.00%)p 1.00( 22.03%)d 3.54( 77.97%) 0.0000 0.0000 0.0000 0.0002 0.0000 0.0000 -0.0364 0.4569 0.0000 0.0132 -0.1002 0.0000 0.0000 0.0001 0.0002 0.8321 -0.2955 0.0001 0.0000 107. (0.00018) RY*( 5)Cl 3 s( 0.00%)p 1.00( 12.20%)d 7.19( 87.80%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0133 -0.3153 0.0000 -0.0176 0.1488 0.0000 0.0000 -0.0001 -0.0001 0.4771 0.8065 0.0000 0.0001 108. (0.00015) RY*( 6)Cl 3 s( 0.00%)p 1.00( 69.26%)d 0.44( 30.74%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0130 0.6594 0.0000 -0.0129 -0.5074 0.0000 0.0000 0.0000 -0.0001 -0.2460 0.4969 0.0000 0.0000 109. (0.00015) RY*( 7)Cl 3 s( 11.71%)p 3.76( 44.06%)d 3.78( 44.22%) 0.0000 0.0000 -0.0084 0.3372 -0.0580 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 -0.0200 -0.6635 -0.4443 0.0000 -0.0001 0.4815 0.1140 110. (0.00006) RY*( 8)Cl 3 s( 0.00%)p 1.00( 96.74%)d 0.03( 3.26%) 111. (0.00002) RY*( 9)Cl 3 s( 7.74%)p 3.98( 30.84%)d 7.93( 61.42%) 112. (0.00000) RY*(10)Cl 3 s( 96.02%)p 0.03( 3.25%)d 0.01( 0.73%) 113. (0.00039) RY*( 1)Cl 4 s( 0.15%)p56.72( 8.47%)d99.99( 91.38%) 0.0000 0.0000 -0.0002 0.0263 0.0283 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 -0.0225 -0.2902 -0.1524 0.0000 0.0000 0.4425 -0.8336 114. (0.00033) RY*( 2)Cl 4 s( 73.19%)p 0.17( 12.14%)d 0.20( 14.66%) 0.0000 0.0000 0.0005 0.8488 0.1068 0.0000 0.0000 0.0001 0.0000 0.0000 -0.0001 0.0000 0.0086 -0.3483 -0.2208 -0.0001 0.0000 -0.3118 0.0263 115. (0.00028) RY*( 3)Cl 4 s( 11.17%)p 0.12( 1.35%)d 7.83( 87.48%) 0.0000 0.0000 -0.0001 0.3319 0.0397 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0088 -0.1158 0.7256 0.0001 0.0001 0.5509 0.2117 116. (0.00025) RY*( 4)Cl 4 s( 0.00%)p 1.00( 22.03%)d 3.54( 77.97%) 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0364 -0.4569 0.0000 -0.0132 0.1002 0.0000 0.0000 -0.0001 0.0000 0.8321 -0.2955 -0.0001 -0.0001 117. (0.00018) RY*( 5)Cl 4 s( 0.00%)p 1.00( 12.21%)d 7.19( 87.79%) 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0133 0.3153 0.0000 0.0176 -0.1489 0.0000 0.0000 -0.0001 0.0001 0.4771 0.8064 -0.0003 -0.0001 118. (0.00015) RY*( 6)Cl 4 s( 0.00%)p 1.00( 69.25%)d 0.44( 30.75%) 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0130 0.6594 0.0000 -0.0129 -0.5074 0.0000 0.0000 0.0000 0.0000 0.2460 -0.4969 0.0000 0.0001 119. (0.00015) RY*( 7)Cl 4 s( 11.71%)p 3.76( 44.06%)d 3.78( 44.22%) 0.0000 0.0000 -0.0084 0.3372 -0.0580 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0200 0.6635 -0.4443 0.0002 0.0002 0.4815 0.1140 120. (0.00006) RY*( 8)Cl 4 s( 0.00%)p 1.00( 96.74%)d 0.03( 3.26%) 121. (0.00002) RY*( 9)Cl 4 s( 7.74%)p 3.98( 30.84%)d 7.93( 61.42%) 122. (0.00000) RY*(10)Cl 4 s( 96.02%)p 0.03( 3.25%)d 0.01( 0.73%) 123. (0.00026) RY*( 1)Cl 5 s( 62.85%)p 0.05( 3.40%)d 0.54( 33.76%) 0.0000 0.0000 0.0014 0.7926 -0.0170 0.0000 0.0145 -0.1214 0.0000 0.0079 0.1377 0.0000 0.0000 0.0000 -0.5517 0.0000 0.0000 0.1112 0.1442 124. (0.00014) RY*( 2)Cl 5 s( 13.80%)p 2.40( 33.09%)d 3.85( 53.11%) 0.0000 0.0000 -0.0005 0.3710 0.0201 0.0000 -0.0131 -0.3848 0.0000 -0.0007 0.4273 0.0000 0.0000 0.0001 0.6208 0.0000 -0.0001 -0.3655 -0.1102 125. (0.00012) RY*( 3)Cl 5 s( 0.00%)p 1.00( 56.61%)d 0.77( 43.39%) 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 -0.0003 0.0000 0.0075 0.7524 -0.0002 0.0586 -0.6561 -0.0002 -0.0001 126. (0.00011) RY*( 4)Cl 5 s( 0.68%)p74.21( 50.51%)d71.70( 48.80%) 0.0000 0.0000 0.0122 -0.0389 0.0717 0.0000 -0.0116 0.3721 0.0000 0.0441 0.6038 0.0000 0.0000 0.0004 0.2209 0.0000 -0.0003 0.5368 0.3887 127. (0.00007) RY*( 5)Cl 5 s( 0.00%)p 1.00( 40.33%)d 1.48( 59.67%) 128. (0.00004) RY*( 6)Cl 5 s( 9.11%)p 7.51( 68.48%)d 2.46( 22.41%) 129. (0.00002) RY*( 7)Cl 5 s( 16.94%)p 2.38( 40.32%)d 2.52( 42.74%) 130. (0.00000) RY*( 8)Cl 5 s( 95.49%)p 0.04( 3.58%)d 0.01( 0.93%) 131. (0.00001) RY*( 9)Cl 5 s( 0.00%)p 1.00( 3.12%)d31.02( 96.88%) 132. (0.00000) RY*(10)Cl 5 s( 1.15%)p 0.76( 0.87%)d85.46( 97.98%) 133. (0.00026) RY*( 1)Cl 6 s( 62.85%)p 0.05( 3.40%)d 0.54( 33.75%) 0.0000 0.0000 0.0014 0.7926 -0.0170 0.0000 -0.0145 0.1215 0.0000 -0.0079 -0.1377 0.0000 0.0000 0.0000 -0.5516 0.0000 0.0000 0.1113 0.1442 134. (0.00014) RY*( 2)Cl 6 s( 13.79%)p 2.40( 33.08%)d 3.85( 53.12%) 0.0000 0.0000 -0.0005 0.3708 0.0201 0.0000 0.0131 0.3850 0.0000 0.0007 -0.4272 0.0000 0.0000 -0.0002 0.6207 0.0000 -0.0001 -0.3658 -0.1103 135. (0.00012) RY*( 3)Cl 6 s( 0.00%)p 1.00( 56.61%)d 0.77( 43.39%) 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 -0.0003 0.0000 0.0075 0.7523 0.0002 -0.0587 0.6561 0.0001 0.0001 136. (0.00011) RY*( 4)Cl 6 s( 0.68%)p74.30( 50.52%)d71.76( 48.80%) 0.0000 0.0000 0.0122 -0.0388 0.0717 0.0000 0.0116 -0.3720 0.0000 -0.0441 -0.6039 0.0000 0.0000 -0.0003 0.2211 0.0000 -0.0002 0.5367 0.3887 137. (0.00007) RY*( 5)Cl 6 s( 0.00%)p 1.00( 40.33%)d 1.48( 59.67%) 138. (0.00004) RY*( 6)Cl 6 s( 9.12%)p 7.51( 68.47%)d 2.46( 22.42%) 139. (0.00002) RY*( 7)Cl 6 s( 16.94%)p 2.38( 40.32%)d 2.52( 42.74%) 140. (0.00000) RY*( 8)Cl 6 s( 95.49%)p 0.04( 3.58%)d 0.01( 0.93%) 141. (0.00001) RY*( 9)Cl 6 s( 0.00%)p 1.00( 3.12%)d31.02( 96.88%) 142. (0.00000) RY*(10)Cl 6 s( 1.14%)p 0.76( 0.87%)d85.59( 97.98%) 143. (0.00027) RY*( 1)Br 7 s( 59.88%)p 0.39( 23.60%)d 0.28( 16.52%) 0.0000 0.0000 0.0000 0.0001 0.0826 0.7694 -0.0055 0.0003 0.0000 0.0000 0.0069 0.4856 0.0000 0.0000 -0.0113 -0.0062 0.0000 0.0000 0.0000 0.0000 0.0000 0.1220 0.0000 0.0000 0.0000 0.0000 0.0000 0.3649 0.0000 0.1312 144. (0.00021) RY*( 2)Br 7 s( 2.11%)p 7.41( 15.62%)d39.02( 82.27%) 0.0000 0.0000 0.0000 -0.0145 -0.0362 0.1100 -0.0853 -0.0138 0.0000 0.0000 0.0295 -0.1726 0.0000 0.0000 0.0337 -0.3528 0.0000 0.0000 0.0000 0.0000 0.0000 0.7697 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0887 0.0000 -0.4716 145. (0.00014) RY*( 3)Br 7 s( 1.07%)p34.41( 36.77%)d58.17( 62.16%) 0.0000 0.0000 0.0000 0.0040 0.1021 0.0145 -0.0062 -0.0005 0.0000 0.0000 -0.0274 0.4827 0.0000 0.0000 0.0130 0.3658 0.0000 0.0000 0.0000 0.0000 0.0000 0.2009 0.0000 0.0000 0.0000 0.0000 0.0000 -0.7622 0.0000 0.0168 146. (0.00009) RY*( 4)Br 7 s( 0.00%)p 1.00( 0.41%)d99.99( 99.59%) 147. (0.00005) RY*( 5)Br 7 s( 0.00%)p 1.00( 87.21%)d 0.15( 12.79%) 148. (0.00004) RY*( 6)Br 7 s( 44.12%)p 0.61( 26.81%)d 0.66( 29.07%) 149. (0.00003) RY*( 7)Br 7 s( 28.41%)p 2.25( 63.93%)d 0.27( 7.66%) 150. (0.00002) RY*( 8)Br 7 s( 0.00%)p 1.00( 12.51%)d 7.00( 87.49%) 151. (0.00001) RY*( 9)Br 7 s( 53.19%)p 0.55( 29.42%)d 0.33( 17.39%) 152. (0.00001) RY*(10)Br 7 s( 14.70%)p 0.20( 3.01%)d 5.60( 82.29%) 153. (0.00000) RY*(11)Br 7 s( 96.58%)p 0.01( 1.13%)d 0.02( 2.29%) 154. (0.00000) RY*(12)Br 7 s( 99.96%)p 0.00( 0.01%)d 0.00( 0.03%) 155. (0.00027) RY*( 1)Br 8 s( 59.88%)p 0.39( 23.60%)d 0.28( 16.52%) 0.0000 0.0000 0.0000 0.0001 0.0826 0.7694 -0.0055 0.0003 0.0000 0.0000 -0.0069 -0.4855 0.0000 0.0000 0.0113 0.0061 0.0000 0.0000 0.0000 0.0000 0.0000 0.1222 0.0000 0.0000 0.0000 0.0000 0.0000 0.3648 0.0000 0.1312 156. (0.00021) RY*( 2)Br 8 s( 2.11%)p 7.41( 15.62%)d39.02( 82.27%) 0.0000 0.0000 0.0000 -0.0145 -0.0362 0.1100 -0.0853 -0.0138 0.0000 0.0000 -0.0295 0.1726 0.0000 0.0000 -0.0337 0.3528 0.0000 0.0000 0.0000 0.0000 0.0000 0.7697 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0889 0.0000 -0.4716 157. (0.00014) RY*( 3)Br 8 s( 1.07%)p34.41( 36.77%)d58.17( 62.16%) 0.0000 0.0000 0.0000 0.0040 0.1021 0.0145 -0.0062 -0.0005 0.0000 0.0000 0.0274 -0.4826 0.0000 0.0000 -0.0130 -0.3658 0.0000 0.0000 0.0000 0.0000 0.0000 0.2007 0.0000 -0.0001 0.0000 0.0000 0.0000 -0.7623 0.0000 0.0168 158. (0.00009) RY*( 4)Br 8 s( 0.00%)p 1.00( 0.41%)d99.99( 99.59%) 159. (0.00005) RY*( 5)Br 8 s( 0.00%)p 1.00( 87.22%)d 0.15( 12.78%) 160. (0.00004) RY*( 6)Br 8 s( 44.12%)p 0.61( 26.81%)d 0.66( 29.07%) 161. (0.00003) RY*( 7)Br 8 s( 28.40%)p 2.25( 63.93%)d 0.27( 7.67%) 162. (0.00002) RY*( 8)Br 8 s( 0.00%)p 1.00( 12.50%)d 7.00( 87.50%) 163. (0.00001) RY*( 9)Br 8 s( 53.18%)p 0.55( 29.43%)d 0.33( 17.39%) 164. (0.00001) RY*(10)Br 8 s( 14.71%)p 0.20( 3.01%)d 5.59( 82.28%) 165. (0.00000) RY*(11)Br 8 s( 96.58%)p 0.01( 1.13%)d 0.02( 2.29%) 166. (0.00000) RY*(12)Br 8 s( 99.96%)p 0.00( 0.01%)d 0.00( 0.03%) 167. (0.13494) BD*( 1)Al 1 -Cl 3 ( 88.01%) 0.9381*Al 1 s( 20.06%)p 3.82( 76.73%)d 0.16( 3.21%) 0.0000 -0.0010 0.4477 0.0136 -0.0009 0.0002 -0.4976 -0.0163 -0.0001 0.2044 0.0064 -0.0002 -0.6894 -0.0484 -0.0602 0.1384 -0.0570 0.0640 0.0448 ( 11.99%) -0.3463*Cl 3 s( 22.42%)p 3.45( 77.45%)d 0.01( 0.13%) 0.0000 -0.0002 0.4734 0.0075 -0.0008 0.0000 0.6570 0.0009 0.0000 -0.2595 -0.0002 0.0000 0.5248 -0.0048 -0.0069 0.0284 -0.0112 0.0074 0.0178 168. (0.13496) BD*( 1)Al 1 -Cl 4 ( 88.01%) 0.9381*Al 1 s( 20.06%)p 3.83( 76.73%)d 0.16( 3.21%) 0.0000 0.0010 -0.4477 -0.0136 0.0009 -0.0002 0.4976 0.0163 0.0001 -0.2044 -0.0064 -0.0002 -0.6894 -0.0484 0.0602 0.1384 -0.0570 -0.0640 -0.0448 ( 11.99%) -0.3463*Cl 4 s( 22.41%)p 3.46( 77.45%)d 0.01( 0.13%) 0.0000 0.0002 -0.4734 -0.0075 0.0008 0.0000 -0.6571 -0.0009 0.0000 0.2596 0.0002 0.0000 0.5248 -0.0048 0.0069 0.0284 -0.0112 -0.0074 -0.0178 169. (0.07995) BD*( 1)Al 1 -Cl 5 ( 82.77%) 0.9098*Al 1 s( 29.52%)p 2.30( 67.83%)d 0.09( 2.65%) 0.0000 -0.0001 0.5431 -0.0119 -0.0016 0.0000 0.1311 0.0071 0.0000 -0.8114 -0.0523 0.0000 0.0000 0.0000 -0.0175 0.0000 0.0000 -0.1451 -0.0719 ( 17.23%) -0.4151*Cl 5 s( 28.85%)p 2.46( 70.97%)d 0.01( 0.18%) 0.0000 0.0000 0.5371 -0.0004 -0.0025 0.0000 -0.0882 -0.0003 0.0000 0.8374 -0.0249 0.0000 0.0000 0.0000 -0.0081 0.0000 0.0000 -0.0360 -0.0209 170. (0.07293) BD*( 1)Al 1 -Br 7 ( 79.73%) 0.8929*Al 1 s( 30.25%)p 2.23( 67.51%)d 0.07( 2.24%) 0.0000 0.0001 -0.5500 0.0026 -0.0024 -0.0001 -0.6689 -0.0463 0.0000 -0.4735 -0.0366 0.0000 0.0000 0.0000 -0.1343 0.0000 0.0000 -0.0195 0.0628 ( 20.27%) -0.4503*Br 7 s( 24.27%)p 3.11( 75.54%)d 0.01( 0.19%) 0.0000 0.0000 0.0000 -0.4925 0.0098 -0.0011 0.0002 0.0000 0.0000 0.0000 0.6812 0.0143 0.0000 0.0000 0.5394 0.0144 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0368 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0098 0.0000 0.0210 171. (0.13496) BD*( 1)Al 2 -Cl 3 ( 88.01%) 0.9381*Al 2 s( 20.06%)p 3.83( 76.73%)d 0.16( 3.21%) 0.0000 -0.0010 0.4477 0.0136 -0.0009 -0.0002 0.4976 0.0163 0.0001 -0.2044 -0.0064 -0.0002 -0.6894 -0.0484 -0.0601 -0.1384 0.0570 0.0640 0.0448 ( 11.99%) -0.3463*Cl 3 s( 22.41%)p 3.46( 77.45%)d 0.01( 0.13%) 0.0000 -0.0002 0.4734 0.0075 -0.0008 0.0000 -0.6571 -0.0009 0.0000 0.2595 0.0002 0.0000 0.5248 -0.0048 -0.0069 -0.0284 0.0112 0.0074 0.0178 172. (0.13494) BD*( 1)Al 2 -Cl 4 ( 88.01%) 0.9381*Al 2 s( 20.06%)p 3.82( 76.73%)d 0.16( 3.21%) 0.0000 0.0010 -0.4477 -0.0136 0.0009 0.0002 -0.4976 -0.0163 -0.0001 0.2044 0.0064 -0.0002 -0.6894 -0.0484 0.0601 -0.1384 0.0570 -0.0640 -0.0448 ( 11.99%) -0.3463*Cl 4 s( 22.42%)p 3.46( 77.45%)d 0.01( 0.13%) 0.0000 0.0002 -0.4734 -0.0075 0.0008 0.0000 0.6571 0.0009 0.0000 -0.2595 -0.0002 0.0000 0.5248 -0.0048 0.0069 -0.0284 0.0112 -0.0074 -0.0178 173. (0.07995) BD*( 1)Al 2 -Cl 6 ( 82.77%) 0.9098*Al 2 s( 29.52%)p 2.30( 67.83%)d 0.09( 2.65%) 0.0000 0.0001 -0.5431 0.0119 0.0016 0.0000 0.1312 0.0071 0.0000 -0.8114 -0.0523 0.0000 0.0000 0.0000 0.0175 0.0000 0.0000 0.1451 0.0719 ( 17.23%) -0.4151*Cl 6 s( 28.85%)p 2.46( 70.97%)d 0.01( 0.18%) 0.0000 0.0000 -0.5371 0.0004 0.0025 0.0000 -0.0883 -0.0003 0.0000 0.8374 -0.0249 0.0000 0.0000 0.0000 0.0082 0.0000 0.0000 0.0360 0.0209 174. (0.07293) BD*( 1)Al 2 -Br 8 ( 79.73%) 0.8929*Al 2 s( 30.25%)p 2.23( 67.51%)d 0.07( 2.24%) 0.0000 -0.0001 0.5500 -0.0026 0.0024 -0.0001 -0.6688 -0.0463 0.0000 -0.4736 -0.0366 0.0000 0.0000 0.0000 0.1343 0.0000 0.0000 0.0195 -0.0628 ( 20.27%) -0.4503*Br 8 s( 24.27%)p 3.11( 75.54%)d 0.01( 0.19%) 0.0000 0.0000 0.0000 0.4925 -0.0098 0.0011 -0.0002 0.0000 0.0000 0.0000 0.6811 0.0143 0.0000 0.0000 0.5395 0.0144 0.0000 0.0000 0.0000 0.0000 0.0000 0.0368 0.0000 0.0000 0.0000 0.0000 0.0000 0.0098 0.0000 -0.0210 NHO Directionality and "Bond Bending" (deviations from line of nuclear centers) [Thresholds for printing: angular deviation > 1.0 degree] hybrid p-character > 25.0% orbital occupancy > 0.10e Line of Centers Hybrid 1 Hybrid 2 --------------- ------------------- ------------------ NBO Theta Phi Theta Phi Dev Theta Phi Dev ======================================================================================== 1. BD ( 1)Al 1 -Cl 3 135.4 158.2 143.0 157.7 7.7 53.7 338.5 9.0 2. BD ( 1)Al 1 -Cl 4 44.6 158.2 37.0 157.7 7.7 126.3 338.5 9.1 3. BD ( 1)Al 1 -Cl 5 90.0 275.8 90.0 279.1 3.3 -- -- -- 4. BD ( 1)Al 1 -Br 7 90.0 38.6 90.0 35.5 3.1 -- -- -- 5. BD ( 1)Al 2 -Cl 3 135.4 338.2 143.0 337.7 7.7 53.7 158.5 9.1 6. BD ( 1)Al 2 -Cl 4 44.6 338.2 37.0 337.7 7.7 126.3 158.5 9.0 7. BD ( 1)Al 2 -Cl 6 90.0 95.8 90.0 99.1 3.3 -- -- -- 8. BD ( 1)Al 2 -Br 8 90.0 218.6 90.0 215.5 3.1 -- -- -- 67. LP ( 1)Cl 3 -- -- 180.0 0.0 -- -- -- -- 68. LP ( 2)Cl 3 -- -- 90.0 68.4 -- -- -- -- 69. LP ( 1)Cl 4 -- -- 0.0 0.0 -- -- -- -- 70. LP ( 2)Cl 4 -- -- 90.0 68.4 -- -- -- -- 71. LP ( 1)Cl 5 -- -- 90.0 275.4 -- -- -- -- 72. LP ( 2)Cl 5 -- -- 90.0 5.8 -- -- -- -- 73. LP ( 3)Cl 5 -- -- 0.0 0.0 -- -- -- -- 74. LP ( 1)Cl 6 -- -- 90.0 95.4 -- -- -- -- 75. LP ( 2)Cl 6 -- -- 90.0 185.8 -- -- -- -- 76. LP ( 3)Cl 6 -- -- 0.0 0.0 -- -- -- -- 78. LP ( 2)Br 7 -- -- 90.0 308.6 -- -- -- -- 79. LP ( 3)Br 7 -- -- 0.0 0.0 -- -- -- -- 81. LP ( 2)Br 8 -- -- 90.0 128.6 -- -- -- -- 82. LP ( 3)Br 8 -- -- 0.0 0.0 -- -- -- -- 167. BD*( 1)Al 1 -Cl 3 135.4 158.2 143.0 157.7 7.7 53.7 338.5 9.0 168. BD*( 1)Al 1 -Cl 4 44.6 158.2 37.0 157.7 7.7 126.3 338.5 9.1 171. BD*( 1)Al 2 -Cl 3 135.4 338.2 143.0 337.7 7.7 53.7 158.5 9.1 172. BD*( 1)Al 2 -Cl 4 44.6 338.2 37.0 337.7 7.7 126.3 158.5 9.0 Second Order Perturbation Theory Analysis of Fock Matrix in NBO Basis Threshold for printing: 0.50 kcal/mol E(2) E(j)-E(i) F(i,j) Donor NBO (i) Acceptor NBO (j) kcal/mol a.u. a.u. =================================================================================================== within unit 1 1. BD ( 1)Al 1 -Cl 3 / 84. RY*( 2)Al 1 0.52 1.06 0.021 1. BD ( 1)Al 1 -Cl 3 /168. BD*( 1)Al 1 -Cl 4 2.81 0.70 0.041 1. BD ( 1)Al 1 -Cl 3 /169. BD*( 1)Al 1 -Cl 5 1.20 0.78 0.028 1. BD ( 1)Al 1 -Cl 3 /170. BD*( 1)Al 1 -Br 7 1.03 0.75 0.025 1. BD ( 1)Al 1 -Cl 3 /171. BD*( 1)Al 2 -Cl 3 0.92 0.70 0.023 1. BD ( 1)Al 1 -Cl 3 /172. BD*( 1)Al 2 -Cl 4 2.29 0.70 0.037 1. BD ( 1)Al 1 -Cl 3 /173. BD*( 1)Al 2 -Cl 6 0.54 0.78 0.019 1. BD ( 1)Al 1 -Cl 3 /174. BD*( 1)Al 2 -Br 8 0.67 0.75 0.020 2. BD ( 1)Al 1 -Cl 4 / 84. RY*( 2)Al 1 0.52 1.06 0.021 2. BD ( 1)Al 1 -Cl 4 /167. BD*( 1)Al 1 -Cl 3 2.81 0.70 0.041 2. BD ( 1)Al 1 -Cl 4 /169. BD*( 1)Al 1 -Cl 5 1.20 0.78 0.028 2. BD ( 1)Al 1 -Cl 4 /170. BD*( 1)Al 1 -Br 7 1.03 0.75 0.025 2. BD ( 1)Al 1 -Cl 4 /171. BD*( 1)Al 2 -Cl 3 2.29 0.70 0.037 2. BD ( 1)Al 1 -Cl 4 /172. BD*( 1)Al 2 -Cl 4 0.92 0.70 0.023 2. BD ( 1)Al 1 -Cl 4 /173. BD*( 1)Al 2 -Cl 6 0.54 0.78 0.019 2. BD ( 1)Al 1 -Cl 4 /174. BD*( 1)Al 2 -Br 8 0.67 0.75 0.020 3. BD ( 1)Al 1 -Cl 5 / 83. RY*( 1)Al 1 0.50 1.12 0.021 3. BD ( 1)Al 1 -Cl 5 / 85. RY*( 3)Al 1 0.61 1.10 0.023 3. BD ( 1)Al 1 -Cl 5 /167. BD*( 1)Al 1 -Cl 3 1.90 0.75 0.035 3. BD ( 1)Al 1 -Cl 5 /168. BD*( 1)Al 1 -Cl 4 1.90 0.75 0.035 3. BD ( 1)Al 1 -Cl 5 /170. BD*( 1)Al 1 -Br 7 0.73 0.81 0.022 4. BD ( 1)Al 1 -Br 7 / 85. RY*( 3)Al 1 1.38 1.06 0.034 4. BD ( 1)Al 1 -Br 7 /167. BD*( 1)Al 1 -Cl 3 1.87 0.71 0.034 4. BD ( 1)Al 1 -Br 7 /168. BD*( 1)Al 1 -Cl 4 1.87 0.71 0.034 4. BD ( 1)Al 1 -Br 7 /169. BD*( 1)Al 1 -Cl 5 0.79 0.79 0.023 5. BD ( 1)Al 2 -Cl 3 / 94. RY*( 2)Al 2 0.52 1.06 0.021 5. BD ( 1)Al 2 -Cl 3 /167. BD*( 1)Al 1 -Cl 3 0.92 0.70 0.023 5. BD ( 1)Al 2 -Cl 3 /168. BD*( 1)Al 1 -Cl 4 2.29 0.70 0.037 5. BD ( 1)Al 2 -Cl 3 /169. BD*( 1)Al 1 -Cl 5 0.54 0.78 0.019 5. BD ( 1)Al 2 -Cl 3 /170. BD*( 1)Al 1 -Br 7 0.67 0.75 0.020 5. BD ( 1)Al 2 -Cl 3 /172. BD*( 1)Al 2 -Cl 4 2.81 0.70 0.041 5. BD ( 1)Al 2 -Cl 3 /173. BD*( 1)Al 2 -Cl 6 1.20 0.78 0.028 5. BD ( 1)Al 2 -Cl 3 /174. BD*( 1)Al 2 -Br 8 1.03 0.75 0.025 6. BD ( 1)Al 2 -Cl 4 / 94. RY*( 2)Al 2 0.52 1.06 0.021 6. BD ( 1)Al 2 -Cl 4 /167. BD*( 1)Al 1 -Cl 3 2.28 0.70 0.037 6. BD ( 1)Al 2 -Cl 4 /168. BD*( 1)Al 1 -Cl 4 0.92 0.70 0.023 6. BD ( 1)Al 2 -Cl 4 /169. BD*( 1)Al 1 -Cl 5 0.54 0.78 0.019 6. BD ( 1)Al 2 -Cl 4 /170. BD*( 1)Al 1 -Br 7 0.67 0.75 0.020 6. BD ( 1)Al 2 -Cl 4 /171. BD*( 1)Al 2 -Cl 3 2.81 0.70 0.041 6. BD ( 1)Al 2 -Cl 4 /173. BD*( 1)Al 2 -Cl 6 1.20 0.78 0.028 6. BD ( 1)Al 2 -Cl 4 /174. BD*( 1)Al 2 -Br 8 1.03 0.75 0.025 7. BD ( 1)Al 2 -Cl 6 / 93. RY*( 1)Al 2 0.50 1.12 0.021 7. BD ( 1)Al 2 -Cl 6 / 95. RY*( 3)Al 2 0.61 1.10 0.023 7. BD ( 1)Al 2 -Cl 6 /171. BD*( 1)Al 2 -Cl 3 1.90 0.75 0.035 7. BD ( 1)Al 2 -Cl 6 /172. BD*( 1)Al 2 -Cl 4 1.90 0.75 0.035 7. BD ( 1)Al 2 -Cl 6 /174. BD*( 1)Al 2 -Br 8 0.73 0.81 0.022 8. BD ( 1)Al 2 -Br 8 / 95. RY*( 3)Al 2 1.38 1.06 0.034 8. BD ( 1)Al 2 -Br 8 /171. BD*( 1)Al 2 -Cl 3 1.87 0.71 0.034 8. BD ( 1)Al 2 -Br 8 /172. BD*( 1)Al 2 -Cl 4 1.87 0.71 0.034 8. BD ( 1)Al 2 -Br 8 /173. BD*( 1)Al 2 -Cl 6 0.79 0.79 0.023 10. CR ( 2)Al 1 /171. BD*( 1)Al 2 -Cl 3 0.93 4.97 0.063 10. CR ( 2)Al 1 /172. BD*( 1)Al 2 -Cl 4 0.93 4.97 0.063 15. CR ( 2)Al 2 /167. BD*( 1)Al 1 -Cl 3 0.93 4.97 0.063 15. CR ( 2)Al 2 /168. BD*( 1)Al 1 -Cl 4 0.93 4.97 0.063 20. CR ( 2)Cl 3 / 84. RY*( 2)Al 1 0.74 10.68 0.080 20. CR ( 2)Cl 3 / 94. RY*( 2)Al 2 0.74 10.68 0.080 25. CR ( 2)Cl 4 / 84. RY*( 2)Al 1 0.74 10.68 0.080 25. CR ( 2)Cl 4 / 94. RY*( 2)Al 2 0.74 10.68 0.080 30. CR ( 2)Cl 5 / 83. RY*( 1)Al 1 1.02 10.60 0.093 30. CR ( 2)Cl 5 / 85. RY*( 3)Al 1 1.31 10.57 0.106 35. CR ( 2)Cl 6 / 93. RY*( 1)Al 2 1.02 10.60 0.093 35. CR ( 2)Cl 6 / 95. RY*( 3)Al 2 1.31 10.57 0.106 40. CR ( 2)Br 7 / 85. RY*( 3)Al 1 2.82 68.44 0.394 40. CR ( 2)Br 7 / 87. RY*( 5)Al 1 0.97 68.31 0.230 41. CR ( 3)Br 7 / 85. RY*( 3)Al 1 0.88 8.72 0.079 41. CR ( 3)Br 7 /169. BD*( 1)Al 1 -Cl 5 0.54 8.45 0.062 54. CR ( 2)Br 8 / 95. RY*( 3)Al 2 2.82 68.44 0.394 54. CR ( 2)Br 8 / 97. RY*( 5)Al 2 0.97 68.31 0.230 55. CR ( 3)Br 8 / 95. RY*( 3)Al 2 0.88 8.72 0.079 55. CR ( 3)Br 8 /173. BD*( 1)Al 2 -Cl 6 0.54 8.45 0.062 67. LP ( 1)Cl 3 / 83. RY*( 1)Al 1 0.51 1.21 0.022 67. LP ( 1)Cl 3 / 84. RY*( 2)Al 1 1.00 1.20 0.031 67. LP ( 1)Cl 3 / 93. RY*( 1)Al 2 0.51 1.21 0.022 67. LP ( 1)Cl 3 / 94. RY*( 2)Al 2 1.00 1.20 0.031 68. LP ( 2)Cl 3 /169. BD*( 1)Al 1 -Cl 5 2.80 0.51 0.034 68. LP ( 2)Cl 3 /170. BD*( 1)Al 1 -Br 7 2.64 0.48 0.032 68. LP ( 2)Cl 3 /173. BD*( 1)Al 2 -Cl 6 2.80 0.51 0.034 68. LP ( 2)Cl 3 /174. BD*( 1)Al 2 -Br 8 2.64 0.48 0.032 69. LP ( 1)Cl 4 / 83. RY*( 1)Al 1 0.51 1.21 0.022 69. LP ( 1)Cl 4 / 84. RY*( 2)Al 1 1.00 1.20 0.031 69. LP ( 1)Cl 4 / 93. RY*( 1)Al 2 0.51 1.21 0.022 69. LP ( 1)Cl 4 / 94. RY*( 2)Al 2 1.00 1.20 0.031 70. LP ( 2)Cl 4 /169. BD*( 1)Al 1 -Cl 5 2.80 0.51 0.034 70. LP ( 2)Cl 4 /170. BD*( 1)Al 1 -Br 7 2.64 0.48 0.032 70. LP ( 2)Cl 4 /173. BD*( 1)Al 2 -Cl 6 2.80 0.51 0.034 70. LP ( 2)Cl 4 /174. BD*( 1)Al 2 -Br 8 2.64 0.48 0.032 71. LP ( 1)Cl 5 / 83. RY*( 1)Al 1 1.21 1.29 0.035 71. LP ( 1)Cl 5 / 85. RY*( 3)Al 1 1.47 1.26 0.039 71. LP ( 1)Cl 5 / 87. RY*( 5)Al 1 0.54 1.14 0.022 71. LP ( 1)Cl 5 / 88. RY*( 6)Al 1 0.62 1.20 0.024 71. LP ( 1)Cl 5 /170. BD*( 1)Al 1 -Br 7 1.17 0.97 0.030 72. LP ( 2)Cl 5 / 83. RY*( 1)Al 1 1.57 0.74 0.031 72. LP ( 2)Cl 5 / 85. RY*( 3)Al 1 1.15 0.72 0.026 72. LP ( 2)Cl 5 / 87. RY*( 5)Al 1 0.58 0.59 0.017 72. LP ( 2)Cl 5 /167. BD*( 1)Al 1 -Cl 3 2.96 0.37 0.030 72. LP ( 2)Cl 5 /168. BD*( 1)Al 1 -Cl 4 2.96 0.37 0.030 72. LP ( 2)Cl 5 /170. BD*( 1)Al 1 -Br 7 6.40 0.43 0.047 73. LP ( 3)Cl 5 / 84. RY*( 2)Al 1 0.96 0.73 0.024 73. LP ( 3)Cl 5 / 86. RY*( 4)Al 1 2.11 0.76 0.036 73. LP ( 3)Cl 5 /167. BD*( 1)Al 1 -Cl 3 6.15 0.37 0.043 73. LP ( 3)Cl 5 /168. BD*( 1)Al 1 -Cl 4 6.15 0.37 0.043 74. LP ( 1)Cl 6 / 93. RY*( 1)Al 2 1.21 1.29 0.035 74. LP ( 1)Cl 6 / 95. RY*( 3)Al 2 1.47 1.26 0.039 74. LP ( 1)Cl 6 / 97. RY*( 5)Al 2 0.54 1.14 0.022 74. LP ( 1)Cl 6 / 98. RY*( 6)Al 2 0.62 1.20 0.024 74. LP ( 1)Cl 6 /174. BD*( 1)Al 2 -Br 8 1.17 0.97 0.030 75. LP ( 2)Cl 6 / 93. RY*( 1)Al 2 1.57 0.74 0.031 75. LP ( 2)Cl 6 / 95. RY*( 3)Al 2 1.15 0.72 0.026 75. LP ( 2)Cl 6 / 97. RY*( 5)Al 2 0.58 0.59 0.017 75. LP ( 2)Cl 6 /171. BD*( 1)Al 2 -Cl 3 2.96 0.37 0.030 75. LP ( 2)Cl 6 /172. BD*( 1)Al 2 -Cl 4 2.96 0.37 0.030 75. LP ( 2)Cl 6 /174. BD*( 1)Al 2 -Br 8 6.40 0.43 0.047 76. LP ( 3)Cl 6 / 94. RY*( 2)Al 2 0.96 0.73 0.024 76. LP ( 3)Cl 6 / 96. RY*( 4)Al 2 2.11 0.76 0.036 76. LP ( 3)Cl 6 /171. BD*( 1)Al 2 -Cl 3 6.15 0.37 0.043 76. LP ( 3)Cl 6 /172. BD*( 1)Al 2 -Cl 4 6.15 0.37 0.043 77. LP ( 1)Br 7 / 85. RY*( 3)Al 1 3.09 1.34 0.058 77. LP ( 1)Br 7 / 87. RY*( 5)Al 1 1.76 1.22 0.042 77. LP ( 1)Br 7 /169. BD*( 1)Al 1 -Cl 5 1.47 1.08 0.036 78. LP ( 2)Br 7 / 83. RY*( 1)Al 1 2.51 0.72 0.038 78. LP ( 2)Br 7 / 88. RY*( 6)Al 1 0.56 0.63 0.017 78. LP ( 2)Br 7 /167. BD*( 1)Al 1 -Cl 3 3.06 0.35 0.030 78. LP ( 2)Br 7 /168. BD*( 1)Al 1 -Cl 4 3.05 0.35 0.030 78. LP ( 2)Br 7 /169. BD*( 1)Al 1 -Cl 5 6.62 0.43 0.048 79. LP ( 3)Br 7 / 84. RY*( 2)Al 1 1.49 0.71 0.029 79. LP ( 3)Br 7 / 86. RY*( 4)Al 1 1.48 0.73 0.030 79. LP ( 3)Br 7 /167. BD*( 1)Al 1 -Cl 3 6.59 0.35 0.043 79. LP ( 3)Br 7 /168. BD*( 1)Al 1 -Cl 4 6.59 0.35 0.043 80. LP ( 1)Br 8 / 95. RY*( 3)Al 2 3.09 1.34 0.058 80. LP ( 1)Br 8 / 97. RY*( 5)Al 2 1.76 1.22 0.042 80. LP ( 1)Br 8 /173. BD*( 1)Al 2 -Cl 6 1.47 1.08 0.036 81. LP ( 2)Br 8 / 93. RY*( 1)Al 2 2.51 0.72 0.038 81. LP ( 2)Br 8 / 98. RY*( 6)Al 2 0.56 0.63 0.017 81. LP ( 2)Br 8 /171. BD*( 1)Al 2 -Cl 3 3.06 0.35 0.030 81. LP ( 2)Br 8 /172. BD*( 1)Al 2 -Cl 4 3.06 0.35 0.030 81. LP ( 2)Br 8 /173. BD*( 1)Al 2 -Cl 6 6.62 0.43 0.048 82. LP ( 3)Br 8 / 94. RY*( 2)Al 2 1.49 0.71 0.029 82. LP ( 3)Br 8 / 96. RY*( 4)Al 2 1.48 0.73 0.030 82. LP ( 3)Br 8 /171. BD*( 1)Al 2 -Cl 3 6.59 0.35 0.043 82. LP ( 3)Br 8 /172. BD*( 1)Al 2 -Cl 4 6.59 0.35 0.043 167. BD*( 1)Al 1 -Cl 3 / 83. RY*( 1)Al 1 1.29 0.37 0.069 167. BD*( 1)Al 1 -Cl 3 / 84. RY*( 2)Al 1 3.20 0.36 0.108 167. BD*( 1)Al 1 -Cl 3 /108. RY*( 6)Cl 3 0.71 0.56 0.068 167. BD*( 1)Al 1 -Cl 3 /169. BD*( 1)Al 1 -Cl 5 1.96 0.08 0.034 167. BD*( 1)Al 1 -Cl 3 /170. BD*( 1)Al 1 -Br 7 2.95 0.05 0.035 168. BD*( 1)Al 1 -Cl 4 / 83. RY*( 1)Al 1 1.29 0.37 0.069 168. BD*( 1)Al 1 -Cl 4 / 84. RY*( 2)Al 1 3.21 0.36 0.108 168. BD*( 1)Al 1 -Cl 4 /118. RY*( 6)Cl 4 0.71 0.56 0.068 168. BD*( 1)Al 1 -Cl 4 /169. BD*( 1)Al 1 -Cl 5 1.96 0.08 0.034 168. BD*( 1)Al 1 -Cl 4 /170. BD*( 1)Al 1 -Br 7 2.95 0.05 0.035 171. BD*( 1)Al 2 -Cl 3 / 93. RY*( 1)Al 2 1.29 0.37 0.069 171. BD*( 1)Al 2 -Cl 3 / 94. RY*( 2)Al 2 3.21 0.36 0.108 171. BD*( 1)Al 2 -Cl 3 /108. RY*( 6)Cl 3 0.71 0.56 0.068 171. BD*( 1)Al 2 -Cl 3 /173. BD*( 1)Al 2 -Cl 6 1.96 0.08 0.034 171. BD*( 1)Al 2 -Cl 3 /174. BD*( 1)Al 2 -Br 8 2.95 0.05 0.035 172. BD*( 1)Al 2 -Cl 4 / 93. RY*( 1)Al 2 1.29 0.37 0.069 172. BD*( 1)Al 2 -Cl 4 / 94. RY*( 2)Al 2 3.20 0.36 0.108 172. BD*( 1)Al 2 -Cl 4 /118. RY*( 6)Cl 4 0.71 0.56 0.068 172. BD*( 1)Al 2 -Cl 4 /173. BD*( 1)Al 2 -Cl 6 1.96 0.08 0.034 172. BD*( 1)Al 2 -Cl 4 /174. BD*( 1)Al 2 -Br 8 2.95 0.05 0.035 Natural Bond Orbitals (Summary): Principal Delocalizations NBO Occupancy Energy (geminal,vicinal,remote) ==================================================================================== Molecular unit 1 (Al2Cl4Br2) 1. BD ( 1)Al 1 -Cl 3 1.96833 -0.66267 168(g),172(v),169(g),170(g) 171(g),174(v),173(v),84(g) 2. BD ( 1)Al 1 -Cl 4 1.96833 -0.66263 167(g),171(v),169(g),170(g) 172(g),174(v),173(v),84(g) 3. BD ( 1)Al 1 -Cl 5 1.97667 -0.71730 168(g),167(g),170(g),85(g) 4. BD ( 1)Al 1 -Br 7 1.97138 -0.68012 168(g),167(g),85(g),169(g) 5. BD ( 1)Al 2 -Cl 3 1.96833 -0.66264 172(g),168(v),173(g),174(g) 167(g),170(v),169(v),94(g) 6. BD ( 1)Al 2 -Cl 4 1.96833 -0.66267 171(g),167(v),173(g),174(g) 168(g),170(v),169(v),94(g) 7. BD ( 1)Al 2 -Cl 6 1.97667 -0.71730 171(g),172(g),174(g),95(g) 8. BD ( 1)Al 2 -Br 8 1.97138 -0.68011 171(g),172(g),95(g),173(g) 9. CR ( 1)Al 1 2.00000 -55.45007 10. CR ( 2)Al 1 1.99946 -4.93120 171(v),172(v) 11. CR ( 3)Al 1 1.99993 -2.79760 12. CR ( 4)Al 1 1.99995 -2.79530 13. CR ( 5)Al 1 1.99991 -2.79957 14. CR ( 1)Al 2 2.00000 -55.45006 15. CR ( 2)Al 2 1.99946 -4.93120 168(v),167(v) 16. CR ( 3)Al 2 1.99993 -2.79760 17. CR ( 4)Al 2 1.99995 -2.79530 18. CR ( 5)Al 2 1.99991 -2.79957 19. CR ( 1)Cl 3 2.00000 -100.50930 20. CR ( 2)Cl 3 1.99979 -10.28498 94(v),84(v) 21. CR ( 3)Cl 3 1.99994 -7.27763 22. CR ( 4)Cl 3 1.99998 -7.27486 23. CR ( 5)Cl 3 1.99997 -7.27763 24. CR ( 1)Cl 4 2.00000 -100.50930 25. CR ( 2)Cl 4 1.99979 -10.28498 84(v),94(v) 26. CR ( 3)Cl 4 1.99994 -7.27763 27. CR ( 4)Cl 4 1.99998 -7.27486 28. CR ( 5)Cl 4 1.99997 -7.27763 29. CR ( 1)Cl 5 2.00000 -100.47886 30. CR ( 2)Cl 5 1.99978 -10.19450 85(v),83(v) 31. CR ( 3)Cl 5 1.99998 -7.22059 32. CR ( 4)Cl 5 1.99994 -7.22484 33. CR ( 5)Cl 5 1.99999 -7.22075 34. CR ( 1)Cl 6 2.00000 -100.47886 35. CR ( 2)Cl 6 1.99978 -10.19449 95(v),93(v) 36. CR ( 3)Cl 6 1.99998 -7.22059 37. CR ( 4)Cl 6 1.99994 -7.22484 38. CR ( 5)Cl 6 1.99999 -7.22075 39. CR ( 1)Br 7 2.00000 -476.57086 40. CR ( 2)Br 7 1.99992 -68.05610 85(v),87(v) 41. CR ( 3)Br 7 1.99979 -8.33577 85(v),169(v) 42. CR ( 4)Br 7 1.99999 -55.10688 43. CR ( 5)Br 7 1.99993 -7.84018 44. CR ( 6)Br 7 1.99999 -55.10642 45. CR ( 7)Br 7 1.99995 -7.83887 46. CR ( 8)Br 7 2.00000 -55.10572 47. CR ( 9)Br 7 1.99998 -7.83696 48. CR ( 10)Br 7 1.99996 -2.66369 49. CR ( 11)Br 7 1.99999 -2.66165 50. CR ( 12)Br 7 1.99999 -2.66035 51. CR ( 13)Br 7 1.99998 -2.66354 52. CR ( 14)Br 7 1.99998 -2.66021 53. CR ( 1)Br 8 2.00000 -476.57086 54. CR ( 2)Br 8 1.99992 -68.05610 95(v),97(v) 55. CR ( 3)Br 8 1.99979 -8.33576 95(v),173(v) 56. CR ( 4)Br 8 1.99999 -55.10688 57. CR ( 5)Br 8 1.99993 -7.84018 58. CR ( 6)Br 8 1.99999 -55.10642 59. CR ( 7)Br 8 1.99995 -7.83887 60. CR ( 8)Br 8 2.00000 -55.10572 61. CR ( 9)Br 8 1.99998 -7.83696 62. CR ( 10)Br 8 1.99996 -2.66368 63. CR ( 11)Br 8 1.99999 -2.66165 64. CR ( 12)Br 8 1.99999 -2.66035 65. CR ( 13)Br 8 1.99998 -2.66354 66. CR ( 14)Br 8 1.99998 -2.66021 67. LP ( 1)Cl 3 1.98250 -0.80533 94(v),84(v),83(v),93(v) 68. LP ( 2)Cl 3 1.95396 -0.39093 169(v),173(v),170(v),174(v) 69. LP ( 1)Cl 4 1.98250 -0.80534 84(v),94(v),93(v),83(v) 70. LP ( 2)Cl 4 1.95397 -0.39092 173(v),169(v),174(v),170(v) 71. LP ( 1)Cl 5 1.98410 -0.88306 85(v),83(v),170(v),88(v) 87(v) 72. LP ( 2)Cl 5 1.93307 -0.33694 170(v),167(v),168(v),83(v) 85(v),87(v) 73. LP ( 3)Cl 5 1.92680 -0.33834 168(v),167(v),86(v),84(v) 74. LP ( 1)Cl 6 1.98410 -0.88306 95(v),93(v),174(v),98(v) 97(v) 75. LP ( 2)Cl 6 1.93307 -0.33694 174(v),172(v),171(v),93(v) 95(v),97(v) 76. LP ( 3)Cl 6 1.92680 -0.33834 171(v),172(v),96(v),94(v) 77. LP ( 1)Br 7 1.98212 -0.96220 85(v),87(v),169(v) 78. LP ( 2)Br 7 1.92272 -0.31458 169(v),167(v),168(v),83(v) 88(v) 79. LP ( 3)Br 7 1.91480 -0.31594 168(v),167(v),84(v),86(v) 80. LP ( 1)Br 8 1.98212 -0.96220 95(v),97(v),173(v) 81. LP ( 2)Br 8 1.92272 -0.31458 173(v),172(v),171(v),93(v) 98(v) 82. LP ( 3)Br 8 1.91480 -0.31594 171(v),172(v),94(v),96(v) 83. RY*( 1)Al 1 0.02709 0.40578 84. RY*( 2)Al 1 0.02372 0.39453 85. RY*( 3)Al 1 0.01903 0.37925 86. RY*( 4)Al 1 0.00910 0.41706 87. RY*( 5)Al 1 0.00457 0.25773 88. RY*( 6)Al 1 0.00302 0.32035 89. RY*( 7)Al 1 0.00197 0.21718 90. RY*( 8)Al 1 0.00179 0.33204 91. RY*( 9)Al 1 0.00061 0.20383 92. RY*( 10)Al 1 0.00001 1.96724 93. RY*( 1)Al 2 0.02709 0.40578 94. RY*( 2)Al 2 0.02372 0.39454 95. RY*( 3)Al 2 0.01903 0.37926 96. RY*( 4)Al 2 0.00910 0.41706 97. RY*( 5)Al 2 0.00457 0.25773 98. RY*( 6)Al 2 0.00302 0.32036 99. RY*( 7)Al 2 0.00197 0.21718 100. RY*( 8)Al 2 0.00179 0.33203 101. RY*( 9)Al 2 0.00061 0.20383 102. RY*( 10)Al 2 0.00001 1.96724 103. RY*( 1)Cl 3 0.00039 0.76018 104. RY*( 2)Cl 3 0.00033 0.77204 105. RY*( 3)Cl 3 0.00028 0.82613 106. RY*( 4)Cl 3 0.00025 1.06070 107. RY*( 5)Cl 3 0.00018 0.78440 108. RY*( 6)Cl 3 0.00015 0.59396 109. RY*( 7)Cl 3 0.00015 0.63056 110. RY*( 8)Cl 3 0.00006 0.55225 111. RY*( 9)Cl 3 0.00002 0.88269 112. RY*( 10)Cl 3 0.00000 4.14546 113. RY*( 1)Cl 4 0.00039 0.76017 114. RY*( 2)Cl 4 0.00033 0.77205 115. RY*( 3)Cl 4 0.00028 0.82614 116. RY*( 4)Cl 4 0.00025 1.06069 117. RY*( 5)Cl 4 0.00018 0.78440 118. RY*( 6)Cl 4 0.00015 0.59398 119. RY*( 7)Cl 4 0.00015 0.63057 120. RY*( 8)Cl 4 0.00006 0.55224 121. RY*( 9)Cl 4 0.00002 0.88269 122. RY*( 10)Cl 4 0.00000 4.14546 123. RY*( 1)Cl 5 0.00026 0.79294 124. RY*( 2)Cl 5 0.00014 0.82248 125. RY*( 3)Cl 5 0.00012 0.61396 126. RY*( 4)Cl 5 0.00011 0.69501 127. RY*( 5)Cl 5 0.00007 0.79706 128. RY*( 6)Cl 5 0.00004 0.76162 129. RY*( 7)Cl 5 0.00002 0.85147 130. RY*( 8)Cl 5 0.00000 4.13083 131. RY*( 9)Cl 5 0.00001 0.85276 132. RY*( 10)Cl 5 0.00000 0.85317 133. RY*( 1)Cl 6 0.00026 0.79296 134. RY*( 2)Cl 6 0.00014 0.82251 135. RY*( 3)Cl 6 0.00012 0.61398 136. RY*( 4)Cl 6 0.00011 0.69495 137. RY*( 5)Cl 6 0.00007 0.79704 138. RY*( 6)Cl 6 0.00004 0.76168 139. RY*( 7)Cl 6 0.00002 0.85143 140. RY*( 8)Cl 6 0.00000 4.13085 141. RY*( 9)Cl 6 0.00001 0.85276 142. RY*( 10)Cl 6 0.00000 0.85317 143. RY*( 1)Br 7 0.00027 0.71075 144. RY*( 2)Br 7 0.00021 0.88247 145. RY*( 3)Br 7 0.00014 0.55268 146. RY*( 4)Br 7 0.00009 0.54537 147. RY*( 5)Br 7 0.00005 0.53831 148. RY*( 6)Br 7 0.00004 4.60593 149. RY*( 7)Br 7 0.00003 4.03389 150. RY*( 8)Br 7 0.00002 0.46877 151. RY*( 9)Br 7 0.00001 11.27441 152. RY*( 10)Br 7 0.00001 2.83943 153. RY*( 11)Br 7 0.00000 43.14891 154. RY*( 12)Br 7 0.00000 22.07469 155. RY*( 1)Br 8 0.00027 0.71077 156. RY*( 2)Br 8 0.00021 0.88245 157. RY*( 3)Br 8 0.00014 0.55268 158. RY*( 4)Br 8 0.00009 0.54536 159. RY*( 5)Br 8 0.00005 0.53832 160. RY*( 6)Br 8 0.00004 4.60797 161. RY*( 7)Br 8 0.00003 4.03195 162. RY*( 8)Br 8 0.00002 0.46877 163. RY*( 9)Br 8 0.00001 11.27353 164. RY*( 10)Br 8 0.00001 2.83868 165. RY*( 11)Br 8 0.00000 43.15037 166. RY*( 12)Br 8 0.00000 22.07478 167. BD*( 1)Al 1 -Cl 3 0.13494 0.03432 172(v),171(g),168(g),84(g) 170(g),169(g),83(g),108(g) 168. BD*( 1)Al 1 -Cl 4 0.13496 0.03429 172(g),167(g),171(v),84(g) 170(g),169(g),83(g),118(g) 169. BD*( 1)Al 1 -Cl 5 0.07995 0.11410 170. BD*( 1)Al 1 -Br 7 0.07293 0.08870 171. BD*( 1)Al 2 -Cl 3 0.13496 0.03429 167(g),172(g),168(v),94(g) 174(g),173(g),93(g),108(g) 172. BD*( 1)Al 2 -Cl 4 0.13494 0.03432 167(v),168(g),171(g),94(g) 174(g),173(g),93(g),118(g) 173. BD*( 1)Al 2 -Cl 6 0.07995 0.11410 174. BD*( 1)Al 2 -Br 8 0.07293 0.08870 ------------------------------- Total Lewis 162.96574 ( 99.3694%) Valence non-Lewis 0.84558 ( 0.5156%) Rydberg non-Lewis 0.18868 ( 0.1150%) ------------------------------- Total unit 1 164.00000 (100.0000%) Charge unit 1 0.00000 1|1| IMPERIAL COLLEGE-SKCH-135-031|FOpt|RB3LYP|6-31G(d,p)|Al2Br2Cl4|MT 217|02-May-2019|0||# opt freq b3lyp/6-31g(d,p) pop=(nbo,full) geom=con nectivity||Title Card Required||0,1|Al,-1.1931233879,-0.020595029,0.89 39296487|Al,1.0894202434,2.2621831063,0.9270663701|Cl,-1.2078831672,2. 2766203073,0.9102563946|Cl,1.1042066056,-0.0350385418,0.9105562473|Cl, -1.8923170695,-0.7197392336,2.7428732146|Cl,1.7887725536,2.9614809532, -0.9217601084|Br,-1.9594226752,-0.7873375218,-1.0534082329|Br,1.855551 8971,3.0287698295,2.874532236||Version=EM64W-G09RevD.01|State=1-A|HF=- 7469.53759|RMSD=2.258e-009|RMSF=4.702e-006|Dipole=-0.0000585,-0.000017 8,-0.0000595|Quadrupole=0.8001139,0.7988165,-1.5989304,-3.8498732,1.87 16482,1.8712036|PG=C01 [X(Al2Br2Cl4)]||@ THAT'S WHAT MAKES US A GREAT COUNTRY. THE LITTLE THINGS ARE SERIOUS AND THE BIG ONES ARE NOT. WILL ROGERS Job cpu time: 0 days 0 hours 5 minutes 24.0 seconds. File lengths (MBytes): RWF= 16 Int= 0 D2E= 0 Chk= 3 Scr= 1 Normal termination of Gaussian 09 at Thu May 02 16:58:17 2019. Link1: Proceeding to internal job step number 2. ---------------------------------------------------------------------- #N Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-31G(d,p) Freq ---------------------------------------------------------------------- 1/10=4,29=7,30=1,38=1,40=1/1,3; 2/12=2,40=1/2; 3/5=1,6=6,7=101,11=2,14=-4,16=1,25=1,30=1,70=2,71=2,74=-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=1,40=1/1,7; 7/8=1,10=1,25=1/1,2,3,16; 1/10=4,30=1/3; 99//99; Structure from the checkpoint file: "\\icnas4.cc.ic.ac.uk\mt217\Documents\2ndInorganic\Lwes_acid_bases_miniproject\Isomer5.chk" ------------------- Title Card Required ------------------- Charge = 0 Multiplicity = 1 Redundant internal coordinates found in file. Al,0,-1.1931233879,-0.020595029,0.8939296487 Al,0,1.0894202434,2.2621831063,0.9270663701 Cl,0,-1.2078831672,2.2766203073,0.9102563946 Cl,0,1.1042066056,-0.0350385418,0.9105562473 Cl,0,-1.8923170695,-0.7197392336,2.7428732146 Cl,0,1.7887725536,2.9614809532,-0.9217601084 Br,0,-1.9594226752,-0.7873375218,-1.0534082329 Br,0,1.8555518971,3.0287698295,2.874532236 Recover connectivity data from disk. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Initialization pass. ---------------------------- ! Initial Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,3) 2.2973 calculate D2E/DX2 analytically ! ! R2 R(1,4) 2.2974 calculate D2E/DX2 analytically ! ! R3 R(1,5) 2.0967 calculate D2E/DX2 analytically ! ! R4 R(1,7) 2.2287 calculate D2E/DX2 analytically ! ! R5 R(2,3) 2.2974 calculate D2E/DX2 analytically ! ! R6 R(2,4) 2.2973 calculate D2E/DX2 analytically ! ! R7 R(2,6) 2.0967 calculate D2E/DX2 analytically ! ! R8 R(2,8) 2.2287 calculate D2E/DX2 analytically ! ! A1 A(3,1,4) 90.7254 calculate D2E/DX2 analytically ! ! A2 A(3,1,5) 108.9668 calculate D2E/DX2 analytically ! ! A3 A(3,1,7) 110.3657 calculate D2E/DX2 analytically ! ! A4 A(4,1,5) 108.9641 calculate D2E/DX2 analytically ! ! A5 A(4,1,7) 110.3634 calculate D2E/DX2 analytically ! ! A6 A(5,1,7) 122.7597 calculate D2E/DX2 analytically ! ! A7 A(3,2,4) 90.7258 calculate D2E/DX2 analytically ! ! A8 A(3,2,6) 108.9644 calculate D2E/DX2 analytically ! ! A9 A(3,2,8) 110.3631 calculate D2E/DX2 analytically ! ! A10 A(4,2,6) 108.9667 calculate D2E/DX2 analytically ! ! A11 A(4,2,8) 110.3655 calculate D2E/DX2 analytically ! ! A12 A(6,2,8) 122.7597 calculate D2E/DX2 analytically ! ! A13 A(1,3,2) 89.2748 calculate D2E/DX2 analytically ! ! A14 A(1,4,2) 89.274 calculate D2E/DX2 analytically ! ! D1 D(4,1,3,2) -0.0046 calculate D2E/DX2 analytically ! ! D2 D(5,1,3,2) 110.3611 calculate D2E/DX2 analytically ! ! D3 D(7,1,3,2) -112.0848 calculate D2E/DX2 analytically ! ! D4 D(3,1,4,2) 0.0046 calculate D2E/DX2 analytically ! ! D5 D(5,1,4,2) -110.3637 calculate D2E/DX2 analytically ! ! D6 D(7,1,4,2) 112.087 calculate D2E/DX2 analytically ! ! D7 D(4,2,3,1) 0.0046 calculate D2E/DX2 analytically ! ! D8 D(6,2,3,1) 110.3729 calculate D2E/DX2 analytically ! ! D9 D(8,2,3,1) -112.0777 calculate D2E/DX2 analytically ! ! D10 D(3,2,4,1) -0.0046 calculate D2E/DX2 analytically ! ! D11 D(6,2,4,1) -110.3708 calculate D2E/DX2 analytically ! ! D12 D(8,2,4,1) 112.0755 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. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 13 0 -1.193123 -0.020595 0.893930 2 13 0 1.089420 2.262183 0.927066 3 17 0 -1.207883 2.276620 0.910256 4 17 0 1.104207 -0.035039 0.910556 5 17 0 -1.892317 -0.719739 2.742873 6 17 0 1.788773 2.961481 -0.921760 7 35 0 -1.959423 -0.787338 -1.053408 8 35 0 1.855552 3.028770 2.874532 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 Al 0.000000 2 Al 3.228340 0.000000 3 Cl 2.297321 2.297410 0.000000 4 Cl 2.297436 2.297329 3.269484 0.000000 5 Cl 2.096728 4.591271 3.578422 3.578457 0.000000 6 Cl 4.591428 2.096729 3.578444 3.578427 6.366423 7 Br 2.228729 4.745240 3.715996 3.716037 3.797476 8 Br 4.745085 2.228730 3.716012 3.715998 5.302375 6 7 8 6 Cl 0.000000 7 Br 5.302824 0.000000 8 Br 3.797476 6.674236 0.000000 Stoichiometry Al2Br2Cl4 Framework group C1[X(Al2Br2Cl4)] Deg. of freedom 18 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 13 0 1.499180 -0.598268 -0.000043 2 13 0 -1.499210 0.598325 0.000041 3 17 0 0.000037 0.000100 -1.634731 4 17 0 -0.000010 0.000131 1.634753 5 17 0 1.710809 -2.684288 0.000022 6 17 0 -1.711088 2.684320 -0.000020 7 35 0 3.242126 0.790750 0.000002 8 35 0 -3.241993 -0.790899 -0.000013 --------------------------------------------------------------------- Rotational constants (GHZ): 0.6254984 0.2325898 0.1938549 Standard basis: 6-31G(d,p) (6D, 7F) There are 174 symmetry adapted cartesian basis functions of A symmetry. There are 174 symmetry adapted basis functions of A symmetry. 174 basis functions, 478 primitive gaussians, 174 cartesian basis functions 82 alpha electrons 82 beta electrons nuclear repulsion energy 1673.7444080144 Hartrees. NAtoms= 8 NActive= 8 NUniq= 8 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= 174 RedAO= T EigKep= 6.80D-04 NBF= 174 NBsUse= 174 1.00D-06 EigRej= -1.00D+00 NBFU= 174 Initial guess from the checkpoint file: "\\icnas4.cc.ic.ac.uk\mt217\Documents\2ndInorganic\Lwes_acid_bases_miniproject\Isomer5.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=118699583. 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) = -7469.53759000 A.U. after 1 cycles NFock= 1 Conv=0.89D-09 -V/T= 2.0053 DoSCS=F DFT=T ScalE2(SS,OS)= 1.000000 1.000000 Range of M.O.s used for correlation: 1 174 NBasis= 174 NAE= 82 NBE= 82 NFC= 0 NFV= 0 NROrb= 174 NOA= 82 NOB= 82 NVA= 92 NVB= 92 **** Warning!!: The largest alpha MO coefficient is 0.14163946D+02 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 G2DrvN: will do 9 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=11111111 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=118590673. There are 27 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 24 vectors produced by pass 0 Test12= 2.79D-14 3.70D-09 XBig12= 1.00D+02 3.24D+00. AX will form 24 AO Fock derivatives at one time. 24 vectors produced by pass 1 Test12= 2.79D-14 3.70D-09 XBig12= 1.07D+01 7.14D-01. 24 vectors produced by pass 2 Test12= 2.79D-14 3.70D-09 XBig12= 2.20D-01 8.68D-02. 24 vectors produced by pass 3 Test12= 2.79D-14 3.70D-09 XBig12= 1.70D-02 1.99D-02. 24 vectors produced by pass 4 Test12= 2.79D-14 3.70D-09 XBig12= 5.96D-05 1.71D-03. 23 vectors produced by pass 5 Test12= 2.79D-14 3.70D-09 XBig12= 1.30D-07 6.72D-05. 11 vectors produced by pass 6 Test12= 2.79D-14 3.70D-09 XBig12= 2.01D-10 2.75D-06. 3 vectors produced by pass 7 Test12= 2.79D-14 3.70D-09 XBig12= 2.67D-13 8.78D-08. InvSVY: IOpt=1 It= 1 EMax= 4.44D-15 Solved reduced A of dimension 157 with 27 vectors. Isotropic polarizability for W= 0.000000 110.94 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) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (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) The electronic state is 1-A. Alpha occ. eigenvalues -- -482.92850-482.92840-101.60398-101.60398-101.55033 Alpha occ. eigenvalues -- -101.55033 -61.89140 -61.89045 -56.40781 -56.40779 Alpha occ. eigenvalues -- -56.40603 -56.40595 -56.40594 -56.40592 -56.16932 Alpha occ. eigenvalues -- -56.16932 -9.52438 -9.52435 -9.46895 -9.46894 Alpha occ. eigenvalues -- -8.60039 -8.60010 -7.28311 -7.28308 -7.28237 Alpha occ. eigenvalues -- -7.28236 -7.27887 -7.27883 -7.22932 -7.22932 Alpha occ. eigenvalues -- -7.22470 -7.22469 -7.22450 -7.22449 -6.54925 Alpha occ. eigenvalues -- -6.54925 -6.54263 -6.54263 -6.54238 -6.54238 Alpha occ. eigenvalues -- -4.24704 -4.24704 -2.80158 -2.80158 -2.80080 Alpha occ. eigenvalues -- -2.80076 -2.79891 -2.79890 -2.66573 -2.66573 Alpha occ. eigenvalues -- -2.66376 -2.66375 -2.66356 -2.66356 -2.65828 Alpha occ. eigenvalues -- -2.65828 -2.65827 -2.65827 -0.90344 -0.88087 Alpha occ. eigenvalues -- -0.83154 -0.82967 -0.78312 -0.78211 -0.50476 Alpha occ. eigenvalues -- -0.50285 -0.45695 -0.42799 -0.42518 -0.40690 Alpha occ. eigenvalues -- -0.40372 -0.39507 -0.38834 -0.36981 -0.35122 Alpha occ. eigenvalues -- -0.34810 -0.34451 -0.34236 -0.32551 -0.31977 Alpha occ. eigenvalues -- -0.31970 -0.31761 Alpha virt. eigenvalues -- -0.05286 -0.03700 -0.02563 0.01775 0.02226 Alpha virt. eigenvalues -- 0.03209 0.03655 0.05699 0.08160 0.11842 Alpha virt. eigenvalues -- 0.12707 0.14900 0.15202 0.16801 0.17976 Alpha virt. eigenvalues -- 0.19317 0.26130 0.29494 0.29692 0.31337 Alpha virt. eigenvalues -- 0.31441 0.33150 0.33778 0.37021 0.37255 Alpha virt. eigenvalues -- 0.38294 0.39163 0.41087 0.42619 0.43974 Alpha virt. eigenvalues -- 0.44055 0.44178 0.44411 0.45644 0.46712 Alpha virt. eigenvalues -- 0.48426 0.50103 0.51967 0.52965 0.53440 Alpha virt. eigenvalues -- 0.54000 0.54811 0.54845 0.55706 0.57168 Alpha virt. eigenvalues -- 0.57750 0.58180 0.61006 0.61850 0.64347 Alpha virt. eigenvalues -- 0.64736 0.64992 0.65803 0.66285 0.67657 Alpha virt. eigenvalues -- 0.70553 0.71284 0.75548 0.80408 0.82440 Alpha virt. eigenvalues -- 0.85010 0.85298 0.85750 0.86491 0.86715 Alpha virt. eigenvalues -- 0.89139 0.91489 0.91722 0.95300 0.96076 Alpha virt. eigenvalues -- 0.96510 0.97379 1.00319 1.02794 1.09697 Alpha virt. eigenvalues -- 1.09732 1.10337 1.15222 1.25951 1.26507 Alpha virt. eigenvalues -- 1.67594 1.72989 2.04457 2.05009 4.20692 Alpha virt. eigenvalues -- 4.24359 4.26279 4.28553 8.73601 8.79114 Alpha virt. eigenvalues -- 75.73888 76.80118 Molecular Orbital Coefficients: 1 2 3 4 5 O O O O O Eigenvalues -- -482.92850-482.92840-101.60398-101.60398-101.55033 1 1 Al 1S -0.00001 0.00000 0.00000 0.00000 0.00000 2 2S 0.00003 0.00000 -0.00001 -0.00001 -0.00002 3 2PX 0.00000 -0.00002 0.00001 0.00001 0.00000 4 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 5 2PZ 0.00000 0.00000 0.00001 -0.00001 0.00000 6 3S -0.00033 0.00027 -0.00003 -0.00002 0.00013 7 3PX 0.00013 0.00004 -0.00005 -0.00004 0.00000 8 3PY -0.00004 -0.00002 0.00002 0.00002 -0.00008 9 3PZ 0.00000 0.00000 -0.00005 0.00007 0.00000 10 4S 0.00229 -0.00262 -0.00012 -0.00009 -0.00018 11 4PX 0.00135 -0.00062 0.00003 0.00002 0.00000 12 4PY 0.00220 -0.00102 -0.00001 -0.00001 0.00024 13 4PZ 0.00000 0.00000 0.00007 -0.00008 0.00000 14 5XX 0.00002 -0.00002 0.00004 0.00003 -0.00006 15 5YY 0.00003 -0.00001 0.00000 0.00000 0.00003 16 5ZZ 0.00008 -0.00006 0.00006 0.00005 -0.00005 17 5XY -0.00007 0.00010 -0.00003 -0.00002 -0.00001 18 5XZ 0.00000 0.00000 0.00005 -0.00007 0.00000 19 5YZ 0.00000 0.00000 -0.00002 0.00003 0.00000 20 2 Al 1S -0.00001 0.00000 0.00000 0.00000 0.00000 21 2S 0.00003 0.00000 -0.00001 -0.00001 0.00000 22 2PX 0.00000 -0.00002 -0.00001 -0.00001 0.00000 23 2PY -0.00001 0.00000 0.00000 0.00000 0.00000 24 2PZ 0.00000 0.00000 0.00001 -0.00001 0.00000 25 3S -0.00032 -0.00028 -0.00003 -0.00002 0.00002 26 3PX -0.00013 0.00004 0.00005 0.00004 0.00002 27 3PY 0.00004 -0.00002 -0.00002 -0.00002 0.00000 28 3PZ 0.00000 0.00000 -0.00005 0.00007 0.00000 29 4S 0.00224 0.00266 -0.00012 -0.00009 -0.00007 30 4PX -0.00134 -0.00065 -0.00003 -0.00002 -0.00007 31 4PY -0.00219 -0.00105 0.00001 0.00001 -0.00005 32 4PZ 0.00000 0.00000 0.00007 -0.00008 0.00000 33 5XX 0.00002 0.00002 0.00004 0.00003 0.00000 34 5YY 0.00003 0.00001 0.00000 0.00000 0.00000 35 5ZZ 0.00008 0.00006 0.00006 0.00005 0.00000 36 5XY -0.00006 -0.00010 -0.00003 -0.00002 -0.00001 37 5XZ 0.00000 0.00000 -0.00005 0.00007 0.00000 38 5YZ 0.00000 0.00000 0.00002 -0.00003 0.00000 39 3 Cl 1S 0.00000 0.00000 0.99003 -0.10886 -0.00001 40 2S 0.00003 0.00000 0.01508 -0.00166 0.00000 41 2PX 0.00000 0.00001 0.00000 0.00000 0.00000 42 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 43 2PZ 0.00002 0.00000 0.00004 0.00000 0.00000 44 3S 0.00013 0.00000 -0.02092 0.00230 -0.00001 45 3PX 0.00000 -0.00008 0.00000 0.00000 0.00001 46 3PY 0.00000 -0.00004 0.00000 0.00000 0.00000 47 3PZ -0.00008 0.00000 -0.00004 -0.00001 0.00001 48 4S -0.00084 -0.00001 0.00168 -0.00018 0.00002 49 4PX 0.00000 0.00060 0.00000 0.00000 -0.00001 50 4PY 0.00000 0.00016 0.00000 0.00000 0.00000 51 4PZ -0.00001 0.00000 -0.00001 0.00001 -0.00001 52 5XX -0.00001 0.00000 0.00750 -0.00082 0.00001 53 5YY 0.00007 0.00000 0.00752 -0.00082 0.00000 54 5ZZ 0.00003 0.00000 0.00749 -0.00084 0.00001 55 5XY -0.00002 0.00000 0.00001 0.00000 0.00000 56 5XZ 0.00000 0.00003 0.00000 0.00000 0.00000 57 5YZ 0.00000 0.00001 0.00000 0.00000 0.00000 58 4 Cl 1S 0.00000 0.00000 0.10886 0.99003 -0.00001 59 2S 0.00003 0.00000 0.00166 0.01508 0.00000 60 2PX 0.00000 0.00001 0.00000 0.00000 0.00000 61 2PY 0.00000 0.00001 0.00000 0.00000 0.00000 62 2PZ -0.00002 0.00000 -0.00001 -0.00004 0.00000 63 3S 0.00013 0.00000 -0.00230 -0.02092 -0.00001 64 3PX 0.00000 -0.00008 0.00000 0.00000 0.00001 65 3PY 0.00000 -0.00004 0.00000 0.00000 0.00000 66 3PZ 0.00008 0.00000 0.00001 0.00003 -0.00001 67 4S -0.00084 -0.00001 0.00019 0.00168 0.00002 68 4PX 0.00000 0.00060 0.00000 0.00000 -0.00001 69 4PY 0.00000 0.00016 0.00000 0.00000 0.00000 70 4PZ 0.00001 0.00000 -0.00001 0.00002 0.00001 71 5XX -0.00001 0.00000 0.00083 0.00749 0.00001 72 5YY 0.00007 0.00000 0.00083 0.00751 0.00000 73 5ZZ 0.00003 0.00000 0.00081 0.00749 0.00001 74 5XY -0.00002 0.00000 0.00000 0.00001 0.00000 75 5XZ 0.00000 -0.00003 0.00000 0.00000 0.00000 76 5YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 77 5 Cl 1S 0.00000 0.00000 0.00001 0.00001 0.99548 78 2S -0.00003 -0.00001 0.00000 0.00000 0.01515 79 2PX -0.00001 0.00002 0.00000 0.00000 -0.00001 80 2PY 0.00000 0.00000 0.00000 0.00000 0.00004 81 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 3S -0.00003 -0.00003 -0.00001 -0.00001 -0.02105 83 3PX 0.00005 -0.00010 0.00000 0.00000 0.00001 84 3PY 0.00001 -0.00001 0.00001 0.00001 -0.00006 85 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 86 4S 0.00059 0.00018 0.00002 0.00002 0.00184 87 4PX -0.00029 0.00029 0.00001 0.00001 -0.00002 88 4PY -0.00010 0.00017 0.00000 0.00000 0.00007 89 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 5XX -0.00006 -0.00002 0.00001 0.00001 0.00753 91 5YY -0.00009 0.00002 0.00001 0.00001 0.00750 92 5ZZ -0.00006 0.00001 0.00001 0.00000 0.00753 93 5XY -0.00003 0.00002 0.00000 0.00000 0.00000 94 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 6 Cl 1S 0.00000 0.00000 0.00001 0.00001 0.03209 97 2S -0.00003 0.00001 0.00000 0.00000 0.00049 98 2PX 0.00001 0.00002 0.00000 0.00000 0.00000 99 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 100 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 3S -0.00003 0.00003 -0.00001 -0.00001 -0.00068 102 3PX -0.00005 -0.00010 0.00000 0.00000 0.00000 103 3PY -0.00001 -0.00001 -0.00001 -0.00001 0.00000 104 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4S 0.00060 -0.00017 0.00002 0.00002 0.00011 106 4PX 0.00028 0.00030 -0.00001 -0.00001 0.00001 107 4PY 0.00010 0.00018 0.00000 0.00000 -0.00001 108 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 109 5XX -0.00006 0.00002 0.00001 0.00001 0.00024 110 5YY -0.00009 -0.00002 0.00001 0.00001 0.00024 111 5ZZ -0.00006 -0.00001 0.00001 0.00000 0.00024 112 5XY -0.00003 -0.00002 0.00000 0.00000 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 7 Br 1S 0.70930 -0.69765 0.00000 0.00000 0.00000 116 2S 0.02331 -0.02277 -0.00001 -0.00001 0.00001 117 3S -0.03181 0.03078 0.00002 0.00002 -0.00002 118 4S -0.03208 0.03102 0.00003 0.00002 -0.00001 119 5S -0.01593 0.01608 0.00002 0.00002 0.00005 120 6S -0.02149 0.01864 0.00002 0.00002 -0.00018 121 7PX -0.00002 0.00002 0.00000 0.00000 0.00000 122 7PY -0.00001 0.00001 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00007 -0.00006 0.00000 0.00000 0.00000 125 8PY 0.00004 -0.00004 0.00000 0.00000 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX -0.00038 0.00032 -0.00001 -0.00001 -0.00001 128 9PY -0.00023 0.00019 0.00000 0.00000 0.00000 129 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 10PX 0.00113 -0.00088 0.00001 0.00001 0.00003 131 10PY 0.00067 -0.00052 -0.00001 -0.00001 -0.00002 132 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 11XX 0.03072 -0.02964 -0.00003 -0.00002 0.00002 134 11YY 0.03071 -0.02964 -0.00003 -0.00002 0.00002 135 11ZZ 0.03071 -0.02964 -0.00003 -0.00002 0.00002 136 11XY 0.00001 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00933 -0.00859 -0.00001 -0.00001 0.00005 140 12YY 0.00941 -0.00864 0.00001 0.00000 0.00005 141 12ZZ 0.00939 -0.00865 0.00000 0.00000 0.00005 142 12XY -0.00005 0.00002 0.00000 0.00000 0.00001 143 12XZ 0.00000 0.00000 -0.00001 0.00001 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.69768 0.70927 0.00000 0.00000 0.00000 146 2S 0.02293 0.02315 -0.00001 -0.00001 0.00000 147 3S -0.03130 -0.03130 0.00002 0.00002 -0.00001 148 4S -0.03156 -0.03155 0.00003 0.00002 -0.00001 149 5S -0.01566 -0.01634 0.00002 0.00002 0.00001 150 6S -0.02118 -0.01899 0.00002 0.00002 -0.00006 151 7PX 0.00002 0.00002 0.00000 0.00000 0.00000 152 7PY 0.00001 0.00001 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX -0.00007 -0.00006 0.00000 0.00000 0.00000 155 8PY -0.00004 -0.00004 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00037 0.00032 0.00001 0.00001 0.00000 158 9PY 0.00023 0.00019 0.00000 0.00000 0.00000 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX -0.00112 -0.00089 -0.00001 -0.00001 0.00001 161 10PY -0.00066 -0.00053 0.00001 0.00001 -0.00001 162 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 11XX 0.03022 0.03015 -0.00003 -0.00002 0.00001 164 11YY 0.03021 0.03014 -0.00003 -0.00002 0.00001 165 11ZZ 0.03022 0.03014 -0.00003 -0.00002 0.00001 166 11XY 0.00001 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00918 0.00874 -0.00001 -0.00001 0.00002 170 12YY 0.00927 0.00879 0.00001 0.00000 0.00001 171 12ZZ 0.00924 0.00880 0.00000 0.00000 0.00001 172 12XY -0.00005 -0.00002 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00001 -0.00001 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 7 8 9 10 O O O O O Eigenvalues -- -101.55033 -61.89140 -61.89045 -56.40781 -56.40779 1 1 Al 1S 0.00000 -0.00004 0.00002 -0.00012 -0.00017 2 2S 0.00000 0.00021 -0.00001 -0.00004 -0.00018 3 2PX 0.00000 -0.00002 -0.00014 0.00018 0.00024 4 2PY 0.00000 0.00010 -0.00002 0.00018 0.00016 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 3S 0.00001 -0.00268 0.00231 0.00444 0.00359 7 3PX -0.00002 0.00113 0.00033 0.00059 0.00002 8 3PY 0.00001 -0.00036 -0.00017 0.00002 0.00005 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 4S -0.00006 0.01937 -0.02277 0.00506 0.00872 11 4PX 0.00007 0.01154 -0.00540 0.00131 -0.00146 12 4PY 0.00004 0.01876 -0.00891 0.00334 0.00201 13 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 14 5XX 0.00001 0.00014 -0.00015 -0.00219 -0.00186 15 5YY 0.00000 0.00025 -0.00006 -0.00167 -0.00161 16 5ZZ 0.00000 0.00065 -0.00045 -0.00101 -0.00107 17 5XY 0.00000 -0.00055 0.00087 -0.00106 -0.00107 18 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 19 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 20 2 Al 1S 0.00000 -0.00004 -0.00002 -0.00011 0.00018 21 2S -0.00002 0.00021 0.00001 -0.00002 0.00018 22 2PX 0.00000 0.00002 -0.00014 -0.00016 0.00025 23 2PY 0.00000 -0.00010 -0.00002 -0.00016 0.00017 24 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 25 3S 0.00013 -0.00268 -0.00231 0.00413 -0.00394 26 3PX 0.00000 -0.00113 0.00033 -0.00059 0.00006 27 3PY 0.00008 0.00036 -0.00017 -0.00001 0.00005 28 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 29 4S -0.00017 0.01933 0.02280 0.00435 -0.00910 30 4PX 0.00000 -0.01152 -0.00542 -0.00142 -0.00135 31 4PY -0.00024 -0.01875 -0.00894 -0.00317 0.00227 32 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 33 5XX -0.00006 0.00014 0.00015 -0.00204 0.00203 34 5YY 0.00003 0.00025 0.00007 -0.00154 0.00174 35 5ZZ -0.00005 0.00065 0.00045 -0.00092 0.00115 36 5XY -0.00001 -0.00055 -0.00087 -0.00097 0.00115 37 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 38 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 39 3 Cl 1S -0.00001 0.00002 0.00000 0.00000 0.00000 40 2S 0.00000 0.00026 0.00000 0.00011 0.00000 41 2PX 0.00000 0.00000 0.00012 0.00000 0.00001 42 2PY 0.00000 0.00000 0.00006 0.00000 0.00003 43 2PZ 0.00000 0.00014 0.00000 0.00006 0.00000 44 3S -0.00001 0.00110 0.00000 0.00030 -0.00001 45 3PX -0.00001 0.00000 -0.00069 0.00000 0.00003 46 3PY 0.00000 0.00000 -0.00033 -0.00001 -0.00017 47 3PZ 0.00001 -0.00070 0.00000 -0.00030 0.00001 48 4S 0.00002 -0.00723 -0.00001 -0.00284 0.00011 49 4PX 0.00001 0.00000 0.00515 -0.00007 -0.00177 50 4PY 0.00000 0.00000 0.00137 0.00002 0.00060 51 4PZ -0.00001 -0.00010 0.00000 -0.00028 0.00001 52 5XX 0.00001 -0.00008 0.00000 0.00002 0.00000 53 5YY 0.00000 0.00058 0.00000 0.00019 -0.00001 54 5ZZ 0.00001 0.00027 0.00000 0.00011 0.00000 55 5XY 0.00000 -0.00021 0.00000 -0.00002 0.00000 56 5XZ 0.00000 0.00000 0.00030 -0.00001 -0.00015 57 5YZ 0.00000 0.00000 0.00010 0.00000 -0.00001 58 4 Cl 1S -0.00001 0.00002 0.00000 0.00000 0.00000 59 2S 0.00000 0.00026 0.00000 0.00011 0.00000 60 2PX 0.00000 0.00000 0.00012 0.00000 0.00001 61 2PY 0.00000 0.00000 0.00006 0.00000 0.00003 62 2PZ 0.00000 -0.00014 0.00000 -0.00006 0.00000 63 3S -0.00001 0.00110 0.00000 0.00030 -0.00001 64 3PX -0.00001 0.00000 -0.00069 0.00000 0.00003 65 3PY 0.00000 0.00000 -0.00033 -0.00001 -0.00017 66 3PZ -0.00001 0.00070 0.00000 0.00030 -0.00001 67 4S 0.00002 -0.00723 -0.00001 -0.00284 0.00011 68 4PX 0.00001 0.00000 0.00515 -0.00007 -0.00177 69 4PY 0.00000 0.00000 0.00137 0.00002 0.00060 70 4PZ 0.00001 0.00010 0.00000 0.00028 -0.00001 71 5XX 0.00001 -0.00008 0.00000 0.00002 0.00000 72 5YY 0.00000 0.00058 0.00000 0.00019 -0.00001 73 5ZZ 0.00001 0.00027 0.00000 0.00011 0.00000 74 5XY 0.00000 -0.00021 0.00000 -0.00002 0.00000 75 5XZ 0.00000 0.00000 -0.00030 0.00001 0.00015 76 5YZ 0.00000 0.00000 -0.00010 0.00000 0.00001 77 5 Cl 1S -0.03209 -0.00001 0.00000 0.00000 0.00000 78 2S -0.00049 -0.00023 -0.00005 0.00001 0.00008 79 2PX 0.00000 -0.00007 0.00015 0.00003 0.00001 80 2PY 0.00000 -0.00001 0.00001 0.00001 0.00001 81 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 3S 0.00067 -0.00033 -0.00028 0.00000 0.00013 83 3PX 0.00000 0.00043 -0.00082 -0.00010 -0.00005 84 3PY 0.00000 0.00009 -0.00006 -0.00001 -0.00002 85 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 86 4S -0.00001 0.00508 0.00150 -0.00017 -0.00166 87 4PX -0.00001 -0.00244 0.00251 -0.00014 0.00007 88 4PY 0.00001 -0.00088 0.00152 -0.00053 -0.00071 89 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 5XX -0.00025 -0.00046 -0.00016 0.00007 0.00019 91 5YY -0.00025 -0.00078 0.00016 -0.00004 0.00009 92 5ZZ -0.00025 -0.00049 0.00008 0.00001 0.00010 93 5XY 0.00000 -0.00022 0.00017 -0.00012 -0.00008 94 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 6 Cl 1S 0.99548 -0.00001 0.00000 0.00000 0.00000 97 2S 0.01515 -0.00023 0.00005 0.00001 -0.00008 98 2PX 0.00001 0.00007 0.00015 -0.00003 0.00002 99 2PY -0.00004 0.00001 0.00001 -0.00001 0.00001 100 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 3S -0.02105 -0.00033 0.00028 -0.00001 -0.00013 102 3PX -0.00001 -0.00042 -0.00082 0.00010 -0.00006 103 3PY 0.00006 -0.00009 -0.00006 0.00001 -0.00002 104 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4S 0.00184 0.00508 -0.00149 -0.00003 0.00167 106 4PX 0.00002 0.00244 0.00251 0.00014 0.00006 107 4PY -0.00007 0.00087 0.00152 0.00047 -0.00075 108 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 109 5XX 0.00753 -0.00046 0.00016 0.00005 -0.00020 110 5YY 0.00750 -0.00078 -0.00016 -0.00005 -0.00009 111 5ZZ 0.00753 -0.00049 -0.00008 0.00001 -0.00010 112 5XY 0.00000 -0.00022 -0.00017 -0.00011 0.00009 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 7 Br 1S 0.00000 -0.29792 0.29754 0.00009 0.00005 116 2S 0.00000 0.82805 -0.82577 0.00152 0.00129 117 3S -0.00001 -0.20454 0.20135 -0.00422 -0.00342 118 4S -0.00001 -0.28806 0.28560 -0.00288 -0.00234 119 5S 0.00001 -0.13367 0.13804 0.00388 0.00290 120 6S -0.00005 -0.18167 0.16100 -0.02165 -0.01688 121 7PX 0.00000 -0.00033 0.00032 0.57388 0.53203 122 7PY 0.00000 -0.00026 0.00026 0.43150 0.39492 123 7PZ 0.00000 0.00000 0.00000 0.00001 0.00001 124 8PX 0.00000 0.00058 -0.00051 0.03617 0.03353 125 8PY 0.00000 0.00035 -0.00029 0.02717 0.02485 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX 0.00001 -0.00319 0.00273 -0.01170 -0.01080 128 9PY 0.00000 -0.00194 0.00161 -0.00862 -0.00782 129 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 10PX -0.00001 0.00959 -0.00761 0.00717 0.00650 131 10PY 0.00001 0.00566 -0.00450 0.00487 0.00419 132 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 11XX 0.00001 0.26187 -0.25864 0.00411 0.00333 134 11YY 0.00001 0.26177 -0.25858 0.00408 0.00331 135 11ZZ 0.00001 0.26179 -0.25855 0.00409 0.00332 136 11XY 0.00000 0.00008 -0.00004 0.00001 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00001 0.07856 -0.07397 0.00572 0.00457 140 12YY 0.00001 0.07931 -0.07440 0.00593 0.00475 141 12ZZ 0.00001 0.07909 -0.07448 0.00586 0.00465 142 12XY 0.00000 -0.00045 0.00019 -0.00006 -0.00001 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00000 -0.29740 -0.29805 0.00008 -0.00006 146 2S 0.00001 0.82662 0.82720 0.00141 -0.00140 147 3S -0.00002 -0.20419 -0.20171 -0.00393 0.00375 148 4S -0.00001 -0.28757 -0.28610 -0.00268 0.00256 149 5S 0.00005 -0.13343 -0.13827 0.00363 -0.00320 150 6S -0.00018 -0.18139 -0.16131 -0.02023 0.01856 151 7PX 0.00000 0.00033 0.00032 -0.52935 0.57627 152 7PY 0.00000 0.00026 0.00026 -0.39851 0.42831 153 7PZ 0.00000 0.00000 0.00000 -0.00001 0.00001 154 8PX 0.00000 -0.00058 -0.00051 -0.03337 0.03632 155 8PY 0.00000 -0.00035 -0.00029 -0.02509 0.02695 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00002 0.00319 0.00274 0.01080 -0.01171 158 9PY 0.00000 0.00194 0.00161 0.00797 -0.00849 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX -0.00003 -0.00958 -0.00762 -0.00663 0.00705 161 10PY 0.00002 -0.00565 -0.00451 -0.00452 0.00457 162 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 11XX 0.00002 0.26142 0.25909 0.00383 -0.00365 164 11YY 0.00002 0.26132 0.25903 0.00380 -0.00363 165 11ZZ 0.00002 0.26134 0.25901 0.00381 -0.00364 166 11XY 0.00000 0.00008 0.00004 0.00001 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00004 0.07843 0.07411 0.00534 -0.00502 170 12YY 0.00005 0.07918 0.07454 0.00553 -0.00521 171 12ZZ 0.00005 0.07896 0.07461 0.00547 -0.00510 172 12XY 0.00001 -0.00045 -0.00019 -0.00005 0.00001 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 11 12 13 14 15 O O O O O Eigenvalues -- -56.40603 -56.40595 -56.40594 -56.40592 -56.16932 1 1 Al 1S 0.00002 0.00002 0.00000 0.00000 0.78055 2 2S 0.00038 -0.00005 0.00000 0.00000 0.00992 3 2PX 0.00000 -0.00003 0.00000 0.00000 -0.00005 4 2PY 0.00003 -0.00002 0.00000 0.00000 0.00002 5 2PZ 0.00000 0.00000 0.00001 -0.00003 0.00000 6 3S 0.00278 -0.00092 0.00000 0.00000 -0.02105 7 3PX -0.00013 0.00023 0.00000 0.00000 0.00010 8 3PY -0.00034 0.00025 0.00000 0.00000 0.00000 9 3PZ 0.00000 0.00000 -0.00023 0.00016 0.00000 10 4S -0.01240 0.00127 0.00000 0.00000 0.00217 11 4PX 0.00794 -0.00247 0.00000 0.00000 -0.00017 12 4PY -0.00544 0.00327 0.00000 0.00000 0.00004 13 4PZ 0.00000 0.00000 -0.00316 -0.00235 0.00000 14 5XX -0.00026 0.00007 0.00000 0.00000 0.00717 15 5YY -0.00007 0.00008 0.00000 0.00000 0.00724 16 5ZZ -0.00010 0.00050 0.00000 0.00000 0.00737 17 5XY -0.00016 0.00009 0.00000 0.00000 0.00002 18 5XZ 0.00000 0.00000 0.00010 -0.00011 0.00000 19 5YZ 0.00000 0.00000 -0.00015 -0.00015 0.00000 20 2 Al 1S -0.00002 0.00002 0.00000 0.00000 -0.61997 21 2S -0.00038 -0.00006 0.00000 0.00000 -0.00789 22 2PX 0.00000 0.00003 0.00000 0.00000 -0.00004 23 2PY 0.00003 0.00002 0.00000 0.00000 0.00002 24 2PZ 0.00000 0.00000 -0.00001 -0.00003 0.00000 25 3S -0.00276 -0.00097 0.00000 0.00000 0.01670 26 3PX -0.00012 -0.00023 0.00000 0.00000 0.00006 27 3PY -0.00033 -0.00025 0.00000 0.00000 0.00001 28 3PZ 0.00000 0.00000 0.00024 0.00013 0.00000 29 4S 0.01237 0.00151 0.00000 0.00000 -0.00174 30 4PX 0.00789 0.00262 0.00000 0.00000 -0.00020 31 4PY -0.00537 -0.00337 0.00000 0.00000 0.00004 32 4PZ 0.00000 0.00000 0.00289 -0.00268 0.00000 33 5XX 0.00026 0.00007 0.00000 0.00000 -0.00568 34 5YY 0.00006 0.00008 0.00000 0.00000 -0.00575 35 5ZZ 0.00010 0.00050 0.00000 0.00000 -0.00587 36 5XY 0.00015 0.00009 0.00000 0.00000 -0.00003 37 5XZ 0.00000 0.00000 0.00012 0.00010 0.00000 38 5YZ 0.00000 0.00000 -0.00013 0.00017 0.00000 39 3 Cl 1S 0.00000 0.00001 0.00000 0.00000 0.00000 40 2S 0.00000 0.00017 0.00000 0.00008 -0.00001 41 2PX 0.00006 0.00000 0.00000 0.00000 0.00001 42 2PY -0.00001 0.00000 0.00006 0.00000 0.00000 43 2PZ 0.00000 0.00000 0.00000 0.00005 0.00000 44 3S 0.00000 0.00040 0.00001 0.00021 0.00002 45 3PX -0.00035 0.00000 0.00006 0.00000 0.00001 46 3PY 0.00006 0.00000 -0.00033 0.00002 -0.00001 47 3PZ 0.00000 0.00003 -0.00002 -0.00029 -0.00001 48 4S 0.00004 -0.00385 -0.00011 -0.00202 0.00014 49 4PX 0.00245 0.00002 -0.00093 0.00005 0.00051 50 4PY -0.00028 0.00000 0.00095 -0.00005 -0.00018 51 4PZ 0.00001 -0.00101 0.00003 0.00061 0.00009 52 5XX 0.00000 0.00029 0.00000 0.00009 -0.00002 53 5YY 0.00000 0.00029 0.00000 0.00008 -0.00002 54 5ZZ 0.00000 0.00021 0.00001 0.00018 -0.00002 55 5XY 0.00000 -0.00007 0.00000 0.00004 0.00000 56 5XZ 0.00010 0.00000 -0.00003 0.00000 -0.00008 57 5YZ 0.00001 0.00000 0.00003 0.00000 0.00003 58 4 Cl 1S 0.00000 0.00001 0.00000 0.00000 0.00000 59 2S 0.00000 0.00017 0.00000 -0.00008 -0.00001 60 2PX 0.00006 0.00000 0.00000 0.00000 0.00001 61 2PY -0.00001 0.00000 -0.00006 0.00000 0.00000 62 2PZ 0.00000 0.00000 0.00000 0.00005 0.00000 63 3S 0.00000 0.00040 -0.00001 -0.00021 0.00002 64 3PX -0.00035 0.00000 -0.00006 0.00000 0.00001 65 3PY 0.00006 0.00000 0.00033 -0.00002 -0.00001 66 3PZ 0.00000 -0.00003 -0.00002 -0.00029 0.00001 67 4S 0.00004 -0.00385 0.00011 0.00202 0.00014 68 4PX 0.00245 0.00002 0.00093 -0.00005 0.00051 69 4PY -0.00028 0.00000 -0.00095 0.00005 -0.00018 70 4PZ -0.00001 0.00101 0.00003 0.00061 -0.00009 71 5XX 0.00000 0.00029 0.00000 -0.00009 -0.00002 72 5YY 0.00000 0.00029 0.00000 -0.00008 -0.00002 73 5ZZ 0.00000 0.00021 -0.00001 -0.00018 -0.00002 74 5XY 0.00000 -0.00007 0.00000 -0.00004 0.00000 75 5XZ -0.00010 0.00000 -0.00003 0.00000 0.00008 76 5YZ -0.00001 0.00000 0.00003 0.00000 -0.00003 77 5 Cl 1S 0.00001 0.00000 0.00000 0.00000 0.00000 78 2S 0.00007 -0.00008 0.00000 0.00000 -0.00003 79 2PX -0.00005 0.00005 0.00000 0.00000 0.00000 80 2PY 0.00003 -0.00003 0.00000 0.00000 0.00004 81 2PZ 0.00000 0.00000 0.00006 0.00006 0.00000 82 3S 0.00019 -0.00020 0.00000 0.00000 0.00014 83 3PX 0.00029 -0.00027 0.00000 0.00000 0.00001 84 3PY -0.00013 0.00013 0.00000 0.00000 -0.00017 85 3PZ 0.00000 0.00000 -0.00030 -0.00031 0.00000 86 4S -0.00136 0.00193 0.00000 0.00000 0.00078 87 4PX -0.00129 0.00087 0.00000 0.00000 -0.00006 88 4PY 0.00010 0.00012 0.00000 0.00000 0.00068 89 4PZ 0.00000 0.00000 0.00099 0.00089 0.00000 90 5XX 0.00014 -0.00017 0.00000 0.00000 -0.00008 91 5YY 0.00009 -0.00010 0.00000 0.00000 -0.00026 92 5ZZ 0.00018 -0.00011 0.00000 0.00000 -0.00008 93 5XY -0.00009 0.00006 0.00000 0.00000 0.00002 94 5XZ 0.00000 0.00000 0.00001 -0.00001 0.00000 95 5YZ 0.00000 0.00000 0.00007 0.00005 0.00000 96 6 Cl 1S -0.00001 0.00000 0.00000 0.00000 0.00000 97 2S -0.00007 -0.00008 0.00000 0.00000 0.00002 98 2PX -0.00005 -0.00005 0.00000 0.00000 0.00000 99 2PY 0.00003 0.00003 0.00000 0.00000 0.00003 100 2PZ 0.00000 0.00000 -0.00005 0.00006 0.00000 101 3S -0.00019 -0.00021 0.00000 0.00000 -0.00011 102 3PX 0.00028 0.00028 0.00000 0.00000 0.00001 103 3PY -0.00013 -0.00014 0.00000 0.00000 -0.00014 104 3PZ 0.00000 0.00000 0.00027 -0.00034 0.00000 105 4S 0.00132 0.00196 0.00000 0.00000 -0.00066 106 4PX -0.00128 -0.00089 0.00000 0.00000 -0.00005 107 4PY 0.00010 -0.00012 0.00000 0.00000 0.00056 108 4PZ 0.00000 0.00000 -0.00088 0.00100 0.00000 109 5XX -0.00014 -0.00017 0.00000 0.00000 0.00007 110 5YY -0.00009 -0.00011 0.00000 0.00000 0.00021 111 5ZZ -0.00017 -0.00012 0.00000 0.00000 0.00008 112 5XY 0.00009 0.00006 0.00000 0.00000 -0.00002 113 5XZ 0.00000 0.00000 0.00001 0.00001 0.00000 114 5YZ 0.00000 0.00000 0.00006 -0.00006 0.00000 115 7 Br 1S -0.00003 0.00003 0.00000 0.00000 0.00001 116 2S -0.00007 0.00007 0.00000 0.00000 0.00002 117 3S 0.00037 -0.00034 0.00000 0.00000 -0.00009 118 4S 0.00021 -0.00021 0.00000 0.00000 -0.00012 119 5S -0.00137 0.00073 0.00000 0.00000 -0.00052 120 6S 0.00467 -0.00279 0.00000 0.00000 0.00145 121 7PX -0.41595 0.41129 0.00025 0.00005 0.00020 122 7PY 0.56002 -0.54670 -0.00035 -0.00008 0.00015 123 7PZ 0.00009 -0.00047 0.72761 0.65217 0.00000 124 8PX -0.02615 0.02583 0.00002 0.00000 -0.00003 125 8PY 0.03516 -0.03429 -0.00002 -0.00001 -0.00002 126 8PZ 0.00001 -0.00003 0.04561 0.04087 0.00000 127 9PX 0.00832 -0.00803 0.00000 0.00000 0.00012 128 9PY -0.01083 0.01041 0.00001 0.00000 0.00009 129 9PZ 0.00000 0.00001 -0.01376 -0.01229 0.00000 130 10PX -0.00567 0.00463 0.00000 0.00000 -0.00054 131 10PY 0.00565 -0.00520 0.00000 0.00000 -0.00042 132 10PZ 0.00000 0.00000 0.00680 0.00599 0.00000 133 11XX -0.00039 0.00037 0.00000 0.00000 0.00010 134 11YY -0.00029 0.00029 0.00000 0.00000 0.00010 135 11ZZ -0.00034 0.00032 0.00000 0.00000 0.00011 136 11XY 0.00000 0.00000 0.00000 0.00000 -0.00001 137 11XZ 0.00000 0.00000 0.00002 0.00002 0.00000 138 11YZ 0.00000 0.00000 0.00002 0.00001 0.00000 139 12XX -0.00038 0.00023 0.00000 0.00000 -0.00024 140 12YY -0.00140 0.00099 0.00000 0.00000 -0.00023 141 12ZZ -0.00089 0.00069 0.00000 0.00000 -0.00022 142 12XY 0.00003 0.00003 0.00000 0.00000 -0.00004 143 12XZ 0.00000 0.00000 -0.00024 -0.00023 0.00000 144 12YZ 0.00000 0.00000 -0.00022 -0.00017 0.00000 145 8 Br 1S 0.00003 0.00003 0.00000 0.00000 0.00000 146 2S 0.00007 0.00007 0.00000 0.00000 -0.00001 147 3S -0.00036 -0.00035 0.00000 0.00000 0.00003 148 4S -0.00020 -0.00021 0.00000 0.00000 0.00007 149 5S 0.00135 0.00076 0.00000 0.00000 0.00047 150 6S -0.00462 -0.00288 0.00000 0.00000 -0.00140 151 7PX -0.40792 -0.41939 -0.00023 0.00002 0.00017 152 7PY 0.54921 0.55746 0.00033 -0.00005 0.00012 153 7PZ 0.00006 0.00037 -0.65216 0.72761 0.00000 154 8PX -0.02565 -0.02633 -0.00001 0.00000 -0.00002 155 8PY 0.03448 0.03496 0.00002 0.00000 -0.00002 156 8PZ 0.00000 0.00002 -0.04088 0.04560 0.00000 157 9PX 0.00817 0.00819 0.00000 0.00000 0.00011 158 9PY -0.01063 -0.01062 -0.00001 0.00000 0.00008 159 9PZ 0.00000 -0.00001 0.01233 -0.01372 0.00000 160 10PX -0.00558 -0.00474 0.00000 0.00000 -0.00046 161 10PY 0.00555 0.00530 0.00000 0.00000 -0.00036 162 10PZ 0.00000 0.00000 -0.00611 0.00670 0.00000 163 11XX 0.00039 0.00037 0.00000 0.00000 -0.00004 164 11YY 0.00028 0.00029 0.00000 0.00000 -0.00004 165 11ZZ 0.00034 0.00032 0.00000 0.00000 -0.00005 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00001 167 11XZ 0.00000 0.00000 0.00002 -0.00002 0.00000 168 11YZ 0.00000 0.00000 0.00002 -0.00002 0.00000 169 12XX 0.00037 0.00024 0.00000 0.00000 0.00025 170 12YY 0.00138 0.00102 0.00000 0.00000 0.00024 171 12ZZ 0.00088 0.00071 0.00000 0.00000 0.00025 172 12XY -0.00003 0.00003 0.00000 0.00000 0.00003 173 12XZ 0.00000 0.00000 -0.00022 0.00025 0.00000 174 12YZ 0.00000 0.00000 -0.00020 0.00019 0.00000 16 17 18 19 20 O O O O O Eigenvalues -- -56.16932 -9.52438 -9.52435 -9.46895 -9.46894 1 1 Al 1S 0.61997 0.00002 0.00000 0.00000 0.00000 2 2S 0.00784 -0.00007 0.00000 0.00001 0.00010 3 2PX -0.00003 0.00003 0.00000 -0.00002 -0.00003 4 2PY 0.00001 -0.00001 0.00000 -0.00005 0.00006 5 2PZ 0.00000 0.00000 0.00006 0.00000 0.00000 6 3S -0.01683 0.00081 0.00005 0.00037 0.00001 7 3PX 0.00019 -0.00122 -0.00007 0.00027 0.00003 8 3PY -0.00003 0.00052 0.00003 -0.00046 0.00033 9 3PZ 0.00000 -0.00004 0.00060 0.00000 0.00000 10 4S 0.00162 0.00628 0.00037 0.00436 -0.00778 11 4PX 0.00019 -0.00234 -0.00014 -0.00169 0.00184 12 4PY 0.00000 0.00123 0.00007 -0.00523 0.00177 13 4PZ 0.00000 -0.00013 0.00225 0.00000 0.00000 14 5XX 0.00577 0.00011 0.00001 -0.00005 -0.00002 15 5YY 0.00576 0.00000 0.00000 -0.00033 0.00039 16 5ZZ 0.00576 -0.00013 -0.00001 -0.00009 0.00015 17 5XY -0.00002 -0.00004 0.00000 0.00001 0.00000 18 5XZ 0.00000 0.00000 -0.00005 0.00000 0.00000 19 5YZ 0.00000 0.00000 0.00002 0.00000 0.00000 20 2 Al 1S 0.78055 0.00002 0.00000 0.00000 0.00000 21 2S 0.00988 -0.00007 0.00000 0.00002 -0.00010 22 2PX 0.00004 -0.00003 0.00000 0.00002 -0.00002 23 2PY -0.00002 0.00001 0.00000 0.00005 0.00006 24 2PZ 0.00000 0.00000 0.00006 0.00000 0.00000 25 3S -0.02116 0.00081 0.00005 0.00037 0.00002 26 3PX -0.00021 0.00122 0.00007 -0.00027 0.00001 27 3PY 0.00003 -0.00052 -0.00003 0.00043 0.00036 28 3PZ 0.00000 -0.00004 0.00060 0.00000 0.00000 29 4S 0.00207 0.00628 0.00038 0.00375 0.00809 30 4PX -0.00015 0.00234 0.00014 0.00155 0.00197 31 4PY -0.00001 -0.00123 -0.00007 0.00507 0.00217 32 4PZ 0.00000 -0.00013 0.00225 0.00000 0.00000 33 5XX 0.00724 0.00011 0.00001 -0.00006 0.00002 34 5YY 0.00724 0.00000 0.00000 -0.00030 -0.00041 35 5ZZ 0.00728 -0.00013 -0.00001 -0.00008 -0.00016 36 5XY -0.00001 -0.00004 0.00000 0.00001 0.00000 37 5XZ 0.00000 0.00000 0.00005 0.00000 0.00000 38 5YZ 0.00000 0.00000 -0.00002 0.00000 0.00000 39 3 Cl 1S 0.00000 -0.21285 0.18891 0.00002 0.00000 40 2S -0.00005 0.76489 -0.67861 0.00003 0.00000 41 2PX 0.00000 0.00000 0.00000 0.00000 0.00002 42 2PY 0.00000 0.00000 0.00000 0.00000 -0.00003 43 2PZ 0.00003 0.00272 -0.00244 0.00003 0.00000 44 3S 0.00015 0.05733 -0.05023 0.00026 0.00001 45 3PX 0.00000 0.00000 0.00000 0.00001 -0.00016 46 3PY 0.00000 0.00000 0.00000 -0.00001 0.00022 47 3PZ -0.00007 0.00096 -0.00070 -0.00016 -0.00001 48 4S 0.00122 -0.01843 0.01190 -0.00192 -0.00007 49 4PX -0.00006 0.00000 0.00000 -0.00005 0.00122 50 4PY 0.00002 0.00000 0.00000 0.00005 -0.00140 51 4PZ 0.00081 -0.00343 0.00132 -0.00012 0.00000 52 5XX -0.00018 -0.01167 0.01066 0.00014 0.00001 53 5YY -0.00014 -0.01170 0.01068 0.00003 0.00000 54 5ZZ -0.00020 -0.01172 0.01068 0.00009 0.00000 55 5XY 0.00002 -0.00003 0.00001 0.00011 0.00000 56 5XZ 0.00001 0.00000 0.00000 0.00000 0.00005 57 5YZ 0.00000 0.00000 0.00000 0.00000 -0.00009 58 4 Cl 1S 0.00000 -0.18890 -0.21287 0.00002 0.00000 59 2S -0.00005 0.67882 0.76470 0.00003 0.00000 60 2PX 0.00000 0.00000 0.00000 0.00000 0.00002 61 2PY 0.00000 0.00000 0.00000 0.00000 -0.00003 62 2PZ -0.00003 -0.00241 -0.00274 -0.00003 0.00000 63 3S 0.00015 0.05095 0.05669 0.00026 0.00001 64 3PX 0.00000 0.00000 0.00000 0.00001 -0.00016 65 3PY 0.00000 0.00000 0.00000 -0.00001 0.00022 66 3PZ 0.00007 -0.00087 -0.00081 0.00016 0.00001 67 4S 0.00122 -0.01688 -0.01400 -0.00192 -0.00007 68 4PX -0.00006 0.00000 0.00000 -0.00005 0.00122 69 4PY 0.00002 0.00000 0.00000 0.00005 -0.00140 70 4PZ -0.00081 0.00325 0.00172 0.00012 0.00000 71 5XX -0.00018 -0.01032 -0.01197 0.00014 0.00001 72 5YY -0.00014 -0.01035 -0.01200 0.00003 0.00000 73 5ZZ -0.00020 -0.01036 -0.01200 0.00009 0.00000 74 5XY 0.00002 -0.00003 -0.00001 0.00011 0.00000 75 5XZ -0.00001 0.00000 0.00000 0.00000 -0.00005 76 5YZ 0.00000 0.00000 0.00000 0.00000 0.00009 77 5 Cl 1S 0.00000 -0.00001 0.00000 -0.20884 0.19337 78 2S -0.00001 0.00012 0.00001 0.75031 -0.69468 79 2PX 0.00000 0.00002 0.00000 -0.00033 0.00030 80 2PY 0.00002 0.00002 0.00000 0.00276 -0.00256 81 2PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 82 3S 0.00014 0.00024 0.00001 0.05563 -0.05134 83 3PX -0.00001 -0.00013 -0.00001 -0.00021 0.00023 84 3PY -0.00011 -0.00008 0.00000 0.00092 -0.00084 85 3PZ 0.00000 0.00000 0.00008 0.00000 0.00000 86 4S 0.00043 -0.00150 -0.00009 -0.01586 0.01356 87 4PX -0.00004 0.00076 0.00005 0.00071 -0.00072 88 4PY 0.00045 -0.00041 -0.00002 -0.00248 0.00221 89 4PZ 0.00000 0.00003 -0.00048 0.00000 0.00000 90 5XX -0.00003 0.00007 0.00000 -0.01164 0.01089 91 5YY -0.00017 0.00006 0.00000 -0.01146 0.01070 92 5ZZ -0.00002 0.00012 0.00001 -0.01165 0.01088 93 5XY 0.00001 0.00008 0.00000 0.00001 0.00000 94 5XZ 0.00000 0.00000 -0.00003 0.00000 0.00000 95 5YZ 0.00000 0.00000 -0.00004 0.00000 0.00000 96 6 Cl 1S 0.00000 -0.00001 0.00000 -0.19337 -0.20884 97 2S -0.00001 0.00012 0.00001 0.69473 0.75026 98 2PX 0.00000 -0.00002 0.00000 0.00030 0.00032 99 2PY -0.00003 -0.00002 0.00000 -0.00256 -0.00276 100 2PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 101 3S 0.00017 0.00024 0.00001 0.05152 0.05546 102 3PX 0.00000 0.00013 0.00001 0.00019 0.00025 103 3PY 0.00014 0.00008 0.00000 -0.00085 -0.00091 104 3PZ 0.00000 0.00000 0.00008 0.00000 0.00000 105 4S 0.00059 -0.00150 -0.00009 -0.01477 -0.01473 106 4PX 0.00005 -0.00076 -0.00005 -0.00065 -0.00077 107 4PY -0.00059 0.00041 0.00002 0.00230 0.00239 108 4PZ 0.00000 0.00003 -0.00048 0.00000 0.00000 109 5XX -0.00005 0.00007 0.00000 -0.01077 -0.01175 110 5YY -0.00023 0.00006 0.00000 -0.01061 -0.01155 111 5ZZ -0.00004 0.00012 0.00001 -0.01078 -0.01174 112 5XY 0.00002 0.00008 0.00000 0.00001 0.00000 113 5XZ 0.00000 0.00000 0.00003 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00004 0.00000 0.00000 115 7 Br 1S 0.00002 0.00000 0.00000 0.00000 0.00000 116 2S 0.00006 0.00007 0.00000 -0.00012 0.00001 117 3S -0.00024 -0.00020 -0.00001 0.00035 -0.00002 118 4S -0.00021 -0.00004 0.00000 0.00005 -0.00002 119 5S -0.00017 0.00132 0.00008 -0.00107 -0.00056 120 6S 0.00008 -0.00404 -0.00024 0.00408 0.00143 121 7PX 0.00010 -0.00001 0.00000 0.00001 0.00000 122 7PY 0.00011 0.00001 0.00000 0.00000 0.00001 123 7PZ 0.00000 0.00000 0.00001 0.00000 0.00000 124 8PX -0.00001 0.00002 0.00000 -0.00002 0.00001 125 8PY -0.00001 -0.00003 0.00000 0.00001 -0.00003 126 8PZ 0.00000 0.00000 -0.00002 0.00000 0.00000 127 9PX 0.00004 -0.00018 -0.00001 0.00012 -0.00004 128 9PY 0.00005 0.00013 0.00001 -0.00010 0.00018 129 9PZ 0.00000 -0.00001 0.00012 0.00000 0.00000 130 10PX -0.00029 0.00113 0.00007 -0.00046 -0.00020 131 10PY -0.00025 -0.00014 -0.00001 0.00049 -0.00072 132 10PZ 0.00000 0.00003 -0.00053 0.00000 0.00000 133 11XX 0.00024 0.00017 0.00001 -0.00026 0.00003 134 11YY 0.00025 0.00013 0.00001 -0.00023 0.00001 135 11ZZ 0.00025 0.00013 0.00001 -0.00025 0.00001 136 11XY -0.00001 0.00000 0.00000 0.00001 -0.00002 137 11XZ 0.00000 0.00000 0.00001 0.00000 0.00000 138 11YZ 0.00000 0.00000 -0.00002 0.00000 0.00000 139 12XX 0.00007 0.00050 0.00003 -0.00075 -0.00028 140 12YY 0.00008 0.00084 0.00005 -0.00103 -0.00012 141 12ZZ 0.00013 0.00081 0.00005 -0.00082 -0.00015 142 12XY -0.00004 -0.00001 0.00000 -0.00011 0.00015 143 12XZ 0.00000 0.00000 -0.00001 0.00000 0.00000 144 12YZ 0.00000 -0.00001 0.00014 0.00000 0.00000 145 8 Br 1S 0.00002 0.00000 0.00000 0.00000 0.00000 146 2S 0.00007 0.00007 0.00000 -0.00012 -0.00002 147 3S -0.00026 -0.00020 -0.00001 0.00035 0.00004 148 4S -0.00023 -0.00004 0.00000 0.00005 0.00002 149 5S -0.00028 0.00132 0.00008 -0.00111 0.00048 150 6S 0.00040 -0.00404 -0.00024 0.00418 -0.00111 151 7PX -0.00014 0.00001 0.00000 -0.00001 0.00000 152 7PY -0.00014 -0.00001 0.00000 0.00000 0.00001 153 7PZ 0.00000 0.00000 0.00001 0.00000 0.00000 154 8PX 0.00002 -0.00002 0.00000 0.00002 0.00001 155 8PY 0.00002 0.00003 0.00000 -0.00001 -0.00003 156 8PZ 0.00000 0.00000 -0.00002 0.00000 0.00000 157 9PX -0.00006 0.00018 0.00001 -0.00012 -0.00005 158 9PY -0.00007 -0.00013 -0.00001 0.00009 0.00019 159 9PZ 0.00000 -0.00001 0.00012 0.00000 0.00000 160 10PX 0.00040 -0.00113 -0.00007 0.00047 -0.00016 161 10PY 0.00034 0.00014 0.00001 -0.00043 -0.00076 162 10PZ 0.00000 0.00003 -0.00053 0.00000 0.00000 163 11XX 0.00026 0.00017 0.00001 -0.00026 -0.00005 164 11YY 0.00026 0.00013 0.00001 -0.00023 -0.00003 165 11ZZ 0.00027 0.00013 0.00001 -0.00025 -0.00003 166 11XY -0.00001 0.00000 0.00000 0.00001 0.00002 167 11XZ 0.00000 0.00000 -0.00001 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00002 0.00000 0.00000 169 12XX 0.00001 0.00050 0.00003 -0.00077 0.00023 170 12YY 0.00003 0.00084 0.00005 -0.00104 0.00004 171 12ZZ 0.00008 0.00081 0.00005 -0.00082 0.00008 172 12XY -0.00004 -0.00001 0.00000 -0.00009 -0.00016 173 12XZ 0.00000 0.00000 0.00001 0.00000 0.00000 174 12YZ 0.00000 0.00001 -0.00014 0.00000 0.00000 21 22 23 24 25 O O O O O Eigenvalues -- -8.60039 -8.60010 -7.28311 -7.28308 -7.28237 1 1 Al 1S 0.00007 -0.00003 -0.00001 0.00000 0.00001 2 2S -0.00025 -0.00006 -0.00046 -0.00003 0.00005 3 2PX 0.00000 0.00021 -0.00021 -0.00001 -0.00004 4 2PY -0.00015 0.00003 0.00008 0.00000 0.00001 5 2PZ 0.00000 0.00000 -0.00001 0.00015 -0.00009 6 3S 0.00341 -0.00308 -0.00093 -0.00005 0.00129 7 3PX -0.00160 -0.00038 0.00058 0.00003 -0.00015 8 3PY 0.00047 0.00030 -0.00016 -0.00001 0.00007 9 3PZ 0.00000 0.00000 -0.00003 0.00051 -0.00069 10 4S -0.02795 0.03385 0.02253 0.00127 -0.00028 11 4PX -0.01673 0.00750 -0.00880 -0.00050 -0.00027 12 4PY -0.02708 0.01307 0.00371 0.00021 -0.00005 13 4PZ 0.00000 0.00000 -0.00021 0.00376 0.00160 14 5XX -0.00010 0.00006 -0.00107 -0.00006 -0.00037 15 5YY -0.00018 -0.00005 -0.00016 -0.00001 -0.00021 16 5ZZ -0.00075 0.00046 -0.00089 -0.00005 -0.00050 17 5XY 0.00074 -0.00121 0.00058 0.00003 0.00009 18 5XZ 0.00000 0.00000 -0.00004 0.00066 -0.00073 19 5YZ 0.00000 0.00000 0.00001 -0.00026 0.00029 20 2 Al 1S 0.00007 0.00003 0.00001 0.00000 0.00001 21 2S -0.00025 0.00006 0.00046 0.00003 0.00005 22 2PX 0.00000 0.00021 -0.00021 -0.00001 0.00004 23 2PY 0.00015 0.00004 0.00008 0.00000 -0.00001 24 2PZ 0.00000 0.00000 0.00001 -0.00015 -0.00009 25 3S 0.00340 0.00310 0.00093 0.00005 0.00129 26 3PX 0.00160 -0.00037 0.00058 0.00003 0.00015 27 3PY -0.00047 0.00029 -0.00016 -0.00001 -0.00007 28 3PZ 0.00000 0.00000 0.00003 -0.00051 -0.00069 29 4S -0.02776 -0.03401 -0.02253 -0.00127 -0.00027 30 4PX 0.01668 0.00759 -0.00880 -0.00050 0.00028 31 4PY 0.02701 0.01323 0.00371 0.00021 0.00004 32 4PZ 0.00000 0.00000 0.00021 -0.00376 0.00160 33 5XX -0.00010 -0.00006 0.00108 0.00006 -0.00037 34 5YY -0.00018 0.00005 0.00016 0.00001 -0.00021 35 5ZZ -0.00075 -0.00047 0.00089 0.00005 -0.00050 36 5XY 0.00074 0.00122 -0.00058 -0.00003 0.00009 37 5XZ 0.00000 0.00000 -0.00004 0.00066 0.00073 38 5YZ 0.00000 0.00000 0.00001 -0.00026 -0.00029 39 3 Cl 1S -0.00004 0.00000 0.00000 0.00000 0.00100 40 2S -0.00034 0.00000 0.00000 0.00000 -0.00357 41 2PX 0.00000 -0.00014 0.68688 -0.61363 -0.00019 42 2PY 0.00000 -0.00007 -0.27166 0.24277 0.00002 43 2PZ -0.00016 0.00000 0.00015 -0.00014 0.86934 44 3S -0.00166 0.00000 0.00000 0.00000 0.00032 45 3PX 0.00000 0.00102 0.02174 -0.01889 -0.00001 46 3PY 0.00000 0.00046 -0.00858 0.00747 0.00000 47 3PZ 0.00095 0.00000 0.00000 0.00000 0.02623 48 4S 0.01046 0.00003 0.00000 0.00000 -0.00048 49 4PX 0.00002 -0.00768 -0.01165 0.00736 0.00000 50 4PY 0.00001 -0.00199 0.00450 -0.00291 0.00000 51 4PZ 0.00024 0.00000 0.00000 0.00000 -0.00894 52 5XX 0.00012 0.00000 0.00000 0.00000 0.00025 53 5YY -0.00079 0.00000 0.00000 0.00000 0.00015 54 5ZZ -0.00037 0.00000 0.00000 0.00000 0.00045 55 5XY 0.00029 0.00000 0.00000 0.00000 -0.00005 56 5XZ 0.00000 -0.00042 0.00014 -0.00026 0.00000 57 5YZ 0.00000 -0.00015 -0.00007 0.00010 0.00000 58 4 Cl 1S -0.00004 0.00000 0.00000 0.00000 -0.00054 59 2S -0.00034 0.00000 0.00000 0.00000 0.00194 60 2PX 0.00000 -0.00014 0.61356 0.68694 -0.00008 61 2PY 0.00000 -0.00007 -0.24266 -0.27176 0.00006 62 2PZ 0.00016 0.00000 0.00013 0.00015 0.47509 63 3S -0.00166 0.00000 0.00000 0.00000 -0.00012 64 3PX 0.00000 0.00102 0.01948 0.02122 0.00000 65 3PY 0.00000 0.00046 -0.00768 -0.00839 0.00000 66 3PZ -0.00095 0.00000 0.00000 0.00000 0.01451 67 4S 0.01046 0.00003 0.00000 0.00000 -0.00016 68 4PX 0.00002 -0.00768 -0.01075 -0.00862 0.00000 69 4PY 0.00000 -0.00199 0.00415 0.00339 0.00000 70 4PZ -0.00024 0.00000 0.00000 0.00000 -0.00540 71 5XX 0.00012 0.00000 0.00000 0.00000 -0.00023 72 5YY -0.00079 0.00000 0.00000 0.00000 -0.00017 73 5ZZ -0.00037 0.00000 0.00000 0.00000 -0.00016 74 5XY 0.00029 0.00000 0.00000 0.00000 0.00003 75 5XZ 0.00000 0.00042 -0.00011 -0.00027 0.00000 76 5YZ 0.00000 0.00015 0.00005 0.00011 0.00000 77 5 Cl 1S 0.00004 0.00000 0.00001 0.00000 0.00000 78 2S 0.00023 0.00010 0.00016 0.00001 -0.00001 79 2PX 0.00009 -0.00018 -0.00005 0.00000 0.00001 80 2PY 0.00002 -0.00001 -0.00011 -0.00001 -0.00003 81 2PZ 0.00000 0.00000 0.00000 0.00004 0.00010 82 3S 0.00077 0.00039 0.00056 0.00003 -0.00003 83 3PX -0.00062 0.00113 -0.00017 -0.00001 0.00002 84 3PY -0.00014 0.00011 -0.00011 -0.00001 -0.00007 85 3PZ 0.00000 0.00000 0.00000 0.00009 0.00024 86 4S -0.00720 -0.00238 -0.00404 -0.00023 0.00015 87 4PX 0.00356 -0.00356 0.00127 0.00007 0.00003 88 4PY 0.00129 -0.00229 -0.00131 -0.00007 0.00009 89 4PZ 0.00000 0.00000 0.00004 -0.00064 -0.00063 90 5XX 0.00050 0.00025 0.00025 0.00001 -0.00003 91 5YY 0.00092 -0.00017 0.00012 0.00001 -0.00004 92 5ZZ 0.00053 -0.00004 0.00022 0.00001 -0.00003 93 5XY 0.00030 -0.00024 0.00009 0.00000 0.00001 94 5XZ 0.00000 0.00000 0.00000 -0.00006 0.00004 95 5YZ 0.00000 0.00000 0.00000 -0.00006 -0.00001 96 6 Cl 1S 0.00004 0.00000 -0.00001 0.00000 0.00000 97 2S 0.00023 -0.00010 -0.00016 -0.00001 -0.00001 98 2PX -0.00009 -0.00018 -0.00005 0.00000 -0.00001 99 2PY -0.00002 -0.00001 -0.00011 -0.00001 0.00003 100 2PZ 0.00000 0.00000 0.00000 -0.00004 0.00010 101 3S 0.00077 -0.00038 -0.00056 -0.00003 -0.00003 102 3PX 0.00061 0.00114 -0.00017 -0.00001 -0.00002 103 3PY 0.00014 0.00011 -0.00011 -0.00001 0.00007 104 3PZ 0.00000 0.00000 0.00001 -0.00009 0.00024 105 4S -0.00721 0.00234 0.00404 0.00023 0.00014 106 4PX -0.00354 -0.00358 0.00127 0.00007 -0.00003 107 4PY -0.00128 -0.00230 -0.00131 -0.00007 -0.00009 108 4PZ 0.00000 0.00000 -0.00004 0.00064 -0.00063 109 5XX 0.00050 -0.00025 -0.00025 -0.00001 -0.00003 110 5YY 0.00092 0.00017 -0.00012 -0.00001 -0.00004 111 5ZZ 0.00053 0.00005 -0.00022 -0.00001 -0.00003 112 5XY 0.00030 0.00024 -0.00009 0.00000 0.00001 113 5XZ 0.00000 0.00000 0.00000 -0.00006 -0.00004 114 5YZ 0.00000 0.00000 0.00000 -0.00006 0.00001 115 7 Br 1S 0.11885 -0.11824 0.00001 0.00000 0.00000 116 2S -0.66779 0.66358 0.00004 0.00000 -0.00002 117 3S 0.61847 -0.61326 -0.00021 -0.00001 0.00009 118 4S 0.88280 -0.87790 0.00005 0.00000 -0.00003 119 5S 0.18789 -0.19463 0.00275 0.00016 -0.00034 120 6S 0.25781 -0.22992 -0.00834 -0.00047 0.00115 121 7PX 0.00112 -0.00109 -0.00001 0.00000 0.00000 122 7PY 0.00084 -0.00082 0.00001 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00001 124 8PX -0.00294 0.00285 0.00002 0.00000 -0.00001 125 8PY -0.00219 0.00211 -0.00003 0.00000 -0.00001 126 8PZ 0.00000 0.00000 0.00000 -0.00002 -0.00004 127 9PX 0.00424 -0.00366 -0.00028 -0.00002 0.00008 128 9PY 0.00256 -0.00211 0.00016 0.00001 0.00005 129 9PZ 0.00000 0.00000 -0.00001 0.00013 0.00026 130 10PX -0.01363 0.01100 0.00239 0.00013 -0.00010 131 10PY -0.00806 0.00645 0.00019 0.00001 -0.00011 132 10PZ 0.00000 0.00000 0.00004 -0.00070 -0.00063 133 11XX -0.31428 0.31125 0.00018 0.00001 -0.00006 134 11YY -0.31437 0.31139 0.00014 0.00001 -0.00007 135 11ZZ -0.31473 0.31169 0.00014 0.00001 -0.00006 136 11XY 0.00044 -0.00048 0.00002 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00002 -0.00002 138 11YZ 0.00000 0.00000 0.00000 -0.00003 0.00000 139 12XX -0.11026 0.10432 0.00102 0.00006 -0.00031 140 12YY -0.11130 0.10497 0.00144 0.00008 -0.00028 141 12ZZ -0.11106 0.10511 0.00138 0.00008 -0.00029 142 12XY 0.00068 -0.00033 -0.00022 -0.00001 -0.00001 143 12XZ 0.00000 0.00000 0.00000 -0.00006 0.00014 144 12YZ 0.00000 0.00000 -0.00001 0.00023 -0.00002 145 8 Br 1S 0.11818 0.11891 -0.00001 0.00000 0.00000 146 2S -0.66402 -0.66734 -0.00004 0.00000 -0.00002 147 3S 0.61499 0.61675 0.00021 0.00001 0.00009 148 4S 0.87782 0.88287 -0.00005 0.00000 -0.00003 149 5S 0.18679 0.19569 -0.00275 -0.00015 -0.00034 150 6S 0.25650 0.23138 0.00834 0.00047 0.00114 151 7PX -0.00112 -0.00110 -0.00001 0.00000 0.00000 152 7PY -0.00084 -0.00082 0.00001 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00001 154 8PX 0.00293 0.00287 0.00002 0.00000 0.00001 155 8PY 0.00218 0.00212 -0.00003 0.00000 0.00001 156 8PZ 0.00000 0.00000 0.00000 0.00002 -0.00004 157 9PX -0.00422 -0.00368 -0.00028 -0.00002 -0.00008 158 9PY -0.00254 -0.00212 0.00016 0.00001 -0.00005 159 9PZ 0.00000 0.00000 0.00001 -0.00013 0.00026 160 10PX 0.01357 0.01107 0.00239 0.00013 0.00010 161 10PY 0.00802 0.00649 0.00019 0.00001 0.00011 162 10PZ 0.00000 0.00000 -0.00004 0.00070 -0.00063 163 11XX -0.31252 -0.31303 -0.00018 -0.00001 -0.00006 164 11YY -0.31260 -0.31316 -0.00014 -0.00001 -0.00007 165 11ZZ -0.31297 -0.31347 -0.00014 -0.00001 -0.00006 166 11XY 0.00044 0.00048 -0.00002 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00002 0.00002 168 11YZ 0.00000 0.00000 0.00000 -0.00003 0.00000 169 12XX -0.10967 -0.10494 -0.00102 -0.00006 -0.00031 170 12YY -0.11071 -0.10560 -0.00144 -0.00008 -0.00028 171 12ZZ -0.11046 -0.10573 -0.00138 -0.00008 -0.00029 172 12XY 0.00068 0.00034 0.00022 0.00001 -0.00001 173 12XZ 0.00000 0.00000 0.00000 -0.00006 -0.00014 174 12YZ 0.00000 0.00000 -0.00001 0.00023 0.00002 26 27 28 29 30 O O O O O Eigenvalues -- -7.28236 -7.27887 -7.27883 -7.22932 -7.22932 1 1 Al 1S -0.00004 0.00000 0.00000 0.00003 -0.00002 2 2S -0.00016 -0.00001 0.00000 0.00011 -0.00010 3 2PX 0.00014 0.00000 0.00000 0.00003 0.00002 4 2PY -0.00005 -0.00002 0.00000 -0.00032 0.00017 5 2PZ -0.00003 0.00000 0.00000 0.00000 0.00000 6 3S -0.00439 0.00004 0.00000 0.00377 -0.00257 7 3PX 0.00053 0.00011 0.00000 0.00005 -0.00026 8 3PY -0.00024 0.00031 0.00001 0.00114 -0.00051 9 3PZ -0.00020 0.00000 -0.00001 0.00000 0.00000 10 4S 0.00094 0.00048 0.00002 0.00268 -0.00068 11 4PX 0.00093 0.00165 0.00007 -0.00060 -0.00008 12 4PY 0.00015 0.00390 0.00016 0.00067 -0.00023 13 4PZ 0.00047 0.00000 0.00005 0.00000 0.00000 14 5XX 0.00126 -0.00007 0.00000 -0.00042 0.00041 15 5YY 0.00071 -0.00004 0.00000 -0.00337 0.00219 16 5ZZ 0.00170 -0.00003 0.00000 -0.00065 0.00039 17 5XY -0.00031 -0.00008 0.00000 0.00035 -0.00035 18 5XZ -0.00021 0.00000 0.00004 0.00000 0.00000 19 5YZ 0.00009 -0.00001 0.00013 0.00000 0.00000 20 2 Al 1S -0.00004 0.00000 0.00000 -0.00002 -0.00003 21 2S -0.00016 0.00001 0.00000 -0.00006 -0.00014 22 2PX -0.00014 0.00000 0.00000 0.00003 0.00000 23 2PY 0.00005 -0.00002 0.00000 -0.00022 -0.00029 24 2PZ -0.00003 0.00000 0.00000 0.00000 0.00000 25 3S -0.00439 -0.00004 0.00000 -0.00229 -0.00394 26 3PX -0.00053 0.00011 0.00000 -0.00007 0.00026 27 3PY 0.00024 0.00031 0.00001 0.00081 0.00095 28 3PZ -0.00020 0.00000 0.00001 0.00000 0.00000 29 4S 0.00094 -0.00048 -0.00002 -0.00213 -0.00177 30 4PX -0.00093 0.00165 0.00007 -0.00058 -0.00018 31 4PY -0.00015 0.00390 0.00016 0.00050 0.00050 32 4PZ 0.00047 0.00000 -0.00005 0.00000 0.00000 33 5XX 0.00126 0.00007 0.00000 0.00020 0.00055 34 5YY 0.00071 0.00004 0.00000 0.00210 0.00343 35 5ZZ 0.00170 0.00003 0.00000 0.00042 0.00063 36 5XY -0.00031 0.00008 0.00000 -0.00017 -0.00047 37 5XZ 0.00021 0.00000 0.00004 0.00000 0.00000 38 5YZ -0.00009 -0.00001 0.00013 0.00000 0.00000 39 3 Cl 1S -0.00055 0.00000 0.00000 0.00000 0.00000 40 2S 0.00198 0.00000 0.00000 0.00000 -0.00001 41 2PX 0.00010 0.26783 -0.24721 0.00006 0.00001 42 2PY -0.00001 0.67721 -0.62485 -0.00028 -0.00006 43 2PZ -0.47515 0.00004 -0.00004 0.00004 -0.00020 44 3S -0.00028 0.00000 0.00000 0.00001 -0.00006 45 3PX 0.00000 0.00802 -0.00715 -0.00004 -0.00001 46 3PY 0.00000 0.02022 -0.01807 0.00031 0.00007 47 3PZ -0.01402 0.00000 0.00000 -0.00005 0.00021 48 4S 0.00104 0.00000 0.00000 -0.00017 0.00075 49 4PX 0.00000 -0.00319 0.00206 -0.00061 -0.00014 50 4PY 0.00000 -0.00772 0.00517 -0.00055 -0.00012 51 4PZ 0.00394 0.00000 0.00000 -0.00001 0.00002 52 5XX 0.00003 0.00000 0.00000 -0.00003 0.00011 53 5YY 0.00008 0.00000 0.00000 0.00000 0.00000 54 5ZZ -0.00040 0.00000 0.00000 -0.00002 0.00009 55 5XY 0.00001 0.00000 0.00000 0.00000 0.00002 56 5XZ 0.00000 0.00002 -0.00006 -0.00009 -0.00002 57 5YZ 0.00000 0.00008 -0.00015 0.00000 0.00000 58 4 Cl 1S -0.00100 0.00000 0.00000 0.00000 0.00000 59 2S 0.00359 0.00000 0.00000 0.00000 -0.00001 60 2PX -0.00015 0.24708 0.26795 0.00006 0.00001 61 2PY 0.00012 0.62476 0.67729 -0.00028 -0.00006 62 2PZ 0.86937 -0.00004 -0.00005 -0.00004 0.00020 63 3S -0.00040 0.00000 0.00000 0.00001 -0.00006 64 3PX 0.00000 0.00742 0.00777 -0.00004 -0.00001 65 3PY 0.00000 0.01870 0.01963 0.00031 0.00007 66 3PZ 0.02597 0.00000 0.00000 0.00005 -0.00021 67 4S 0.00114 0.00000 0.00000 -0.00017 0.00075 68 4PX 0.00000 -0.00301 -0.00231 -0.00061 -0.00014 69 4PY 0.00000 -0.00728 -0.00578 -0.00055 -0.00012 70 4PZ -0.00815 0.00000 0.00000 0.00001 -0.00002 71 5XX -0.00011 0.00000 0.00000 -0.00003 0.00011 72 5YY -0.00001 0.00000 0.00000 0.00000 0.00000 73 5ZZ -0.00058 0.00000 0.00000 -0.00002 0.00009 74 5XY 0.00004 0.00000 0.00000 0.00000 0.00002 75 5XZ 0.00000 -0.00002 -0.00006 0.00009 0.00002 76 5YZ 0.00000 -0.00007 -0.00015 0.00000 0.00000 77 5 Cl 1S 0.00001 -0.00001 0.00000 0.00100 -0.00063 78 2S 0.00004 -0.00007 0.00000 -0.00361 0.00228 79 2PX -0.00003 -0.00001 0.00000 -0.08860 0.05589 80 2PY 0.00011 0.00014 0.00001 0.83330 -0.52531 81 2PZ 0.00003 -0.00001 0.00013 -0.00002 0.00002 82 3S 0.00012 -0.00029 -0.00001 0.00009 -0.00005 83 3PX -0.00005 -0.00002 0.00000 -0.00272 0.00172 84 3PY 0.00023 0.00026 0.00001 0.02531 -0.01593 85 3PZ 0.00007 -0.00001 0.00028 0.00000 0.00000 86 4S -0.00049 0.00226 0.00009 -0.00051 0.00030 87 4PX -0.00010 -0.00028 -0.00001 0.00086 -0.00051 88 4PY -0.00031 -0.00018 -0.00001 -0.00708 0.00445 89 4PZ -0.00019 0.00002 -0.00059 0.00000 0.00000 90 5XX 0.00011 -0.00006 0.00000 -0.00001 0.00002 91 5YY 0.00014 -0.00011 0.00000 0.00113 -0.00071 92 5ZZ 0.00011 -0.00008 0.00000 -0.00003 0.00002 93 5XY -0.00004 -0.00001 0.00000 -0.00014 0.00009 94 5XZ 0.00001 0.00000 0.00004 0.00000 0.00000 95 5YZ 0.00000 0.00000 -0.00004 0.00000 0.00000 96 6 Cl 1S 0.00001 0.00001 0.00000 -0.00063 -0.00100 97 2S 0.00004 0.00007 0.00000 0.00227 0.00361 98 2PX 0.00003 -0.00001 0.00000 -0.05590 -0.08873 99 2PY -0.00011 0.00014 0.00001 0.52530 0.83329 100 2PZ 0.00003 0.00001 -0.00013 -0.00001 -0.00002 101 3S 0.00012 0.00029 0.00001 -0.00006 -0.00008 102 3PX 0.00005 -0.00002 0.00000 -0.00172 -0.00273 103 3PY -0.00023 0.00026 0.00001 0.01596 0.02529 104 3PZ 0.00007 0.00001 -0.00028 0.00000 0.00000 105 4S -0.00049 -0.00226 -0.00009 0.00033 0.00049 106 4PX 0.00010 -0.00028 -0.00001 0.00055 0.00083 107 4PY 0.00031 -0.00018 -0.00001 -0.00447 -0.00707 108 4PZ -0.00019 -0.00002 0.00059 0.00000 0.00000 109 5XX 0.00011 0.00006 0.00000 0.00001 0.00002 110 5YY 0.00014 0.00011 0.00000 -0.00072 -0.00112 111 5ZZ 0.00011 0.00008 0.00000 0.00002 0.00003 112 5XY -0.00004 0.00001 0.00000 0.00009 0.00014 113 5XZ -0.00001 0.00000 0.00004 0.00000 0.00000 114 5YZ 0.00000 0.00000 -0.00004 0.00000 0.00000 115 7 Br 1S 0.00001 0.00001 0.00000 0.00000 0.00000 116 2S 0.00006 0.00004 0.00000 0.00000 -0.00001 117 3S -0.00031 -0.00023 -0.00001 0.00001 0.00003 118 4S 0.00009 0.00004 0.00000 0.00000 -0.00001 119 5S 0.00117 0.00161 0.00006 0.00073 -0.00052 120 6S -0.00391 -0.00552 -0.00022 -0.00211 0.00157 121 7PX -0.00001 0.00001 0.00000 0.00000 0.00000 122 7PY -0.00001 0.00001 0.00000 0.00001 -0.00001 123 7PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 124 8PX 0.00004 -0.00002 0.00000 0.00001 -0.00001 125 8PY 0.00003 -0.00002 0.00000 -0.00004 0.00002 126 8PZ -0.00001 0.00000 0.00005 0.00000 0.00000 127 9PX -0.00026 0.00012 0.00000 -0.00006 0.00006 128 9PY -0.00017 0.00013 0.00001 0.00019 -0.00010 129 9PZ 0.00008 0.00001 -0.00029 0.00000 0.00000 130 10PX 0.00034 0.00039 0.00002 0.00062 -0.00040 131 10PY 0.00036 -0.00011 0.00000 0.00006 -0.00010 132 10PZ -0.00018 -0.00002 0.00053 0.00000 0.00000 133 11XX 0.00022 0.00016 0.00001 -0.00002 -0.00002 134 11YY 0.00023 0.00018 0.00001 -0.00001 -0.00003 135 11ZZ 0.00022 0.00017 0.00001 0.00000 -0.00003 136 11XY 0.00000 -0.00002 0.00000 0.00002 -0.00001 137 11XZ -0.00001 0.00000 0.00003 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00105 0.00094 0.00004 0.00026 -0.00026 140 12YY 0.00096 0.00090 0.00004 0.00022 -0.00021 141 12ZZ 0.00100 0.00089 0.00004 0.00019 -0.00022 142 12XY 0.00003 0.00011 0.00000 -0.00015 0.00011 143 12XZ 0.00004 0.00001 -0.00021 0.00000 0.00000 144 12YZ -0.00001 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00001 -0.00001 0.00000 0.00000 0.00000 146 2S 0.00006 -0.00004 0.00000 0.00001 0.00000 147 3S -0.00031 0.00023 0.00001 -0.00003 0.00002 148 4S 0.00009 -0.00004 0.00000 0.00000 0.00000 149 5S 0.00117 -0.00161 -0.00007 -0.00044 -0.00078 150 6S -0.00391 0.00553 0.00022 0.00123 0.00233 151 7PX 0.00001 0.00001 0.00000 0.00000 0.00000 152 7PY 0.00001 0.00001 0.00000 0.00001 0.00001 153 7PZ 0.00000 0.00000 0.00001 0.00000 0.00000 154 8PX -0.00004 -0.00002 0.00000 0.00000 0.00001 155 8PY -0.00003 -0.00002 0.00000 -0.00002 -0.00003 156 8PZ -0.00001 0.00000 -0.00005 0.00000 0.00000 157 9PX 0.00026 0.00012 0.00000 -0.00003 -0.00008 158 9PY 0.00017 0.00013 0.00001 0.00013 0.00017 159 9PZ 0.00008 -0.00001 0.00029 0.00000 0.00000 160 10PX -0.00034 0.00039 0.00002 0.00039 0.00063 161 10PY -0.00036 -0.00011 0.00000 0.00001 0.00012 162 10PZ -0.00018 0.00002 -0.00053 0.00000 0.00000 163 11XX 0.00022 -0.00016 -0.00001 0.00002 -0.00001 164 11YY 0.00023 -0.00018 -0.00001 0.00002 -0.00002 165 11ZZ 0.00022 -0.00017 -0.00001 0.00001 -0.00003 166 11XY 0.00000 0.00002 0.00000 -0.00001 -0.00002 167 11XZ 0.00001 0.00000 0.00003 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00105 -0.00094 -0.00004 -0.00012 -0.00034 170 12YY 0.00096 -0.00090 -0.00004 -0.00010 -0.00029 171 12ZZ 0.00100 -0.00089 -0.00004 -0.00008 -0.00028 172 12XY 0.00003 -0.00011 0.00000 0.00009 0.00016 173 12XZ -0.00004 0.00001 -0.00021 0.00000 0.00000 174 12YZ 0.00001 0.00000 0.00000 0.00000 0.00000 31 32 33 34 35 O O O O O Eigenvalues -- -7.22470 -7.22469 -7.22450 -7.22449 -6.54925 1 1 Al 1S 0.00000 0.00000 0.00002 -0.00001 -0.00003 2 2S 0.00000 0.00000 0.00028 -0.00004 -0.00002 3 2PX 0.00000 0.00000 0.00001 -0.00005 -0.00020 4 2PY 0.00000 0.00000 -0.00001 0.00003 -0.00017 5 2PZ 0.00003 0.00005 0.00000 0.00000 0.00000 6 3S 0.00000 0.00000 0.00208 -0.00060 -0.00335 7 3PX 0.00000 0.00000 0.00009 0.00022 -0.00023 8 3PY 0.00000 0.00000 0.00032 -0.00034 0.00010 9 3PZ 0.00005 -0.00026 0.00000 0.00000 0.00000 10 4S 0.00000 0.00000 -0.00879 0.00030 -0.00587 11 4PX 0.00000 0.00000 0.00839 -0.00355 -0.00046 12 4PY 0.00000 0.00000 -0.00089 -0.00046 -0.00255 13 4PZ 0.00307 0.00195 0.00000 0.00000 0.00000 14 5XX 0.00000 0.00000 -0.00004 -0.00005 0.00180 15 5YY 0.00000 0.00000 -0.00014 -0.00003 0.00134 16 5ZZ 0.00000 0.00000 -0.00008 0.00035 0.00071 17 5XY 0.00000 0.00000 0.00031 -0.00013 0.00110 18 5XZ -0.00012 0.00001 0.00000 0.00000 0.00000 19 5YZ 0.00019 -0.00001 0.00000 0.00000 0.00000 20 2 Al 1S 0.00000 0.00000 -0.00002 -0.00001 -0.00001 21 2S 0.00000 0.00000 -0.00028 -0.00007 -0.00007 22 2PX 0.00000 0.00000 0.00001 0.00005 0.00002 23 2PY 0.00000 0.00000 -0.00001 -0.00003 0.00005 24 2PZ -0.00001 0.00005 0.00000 0.00000 0.00000 25 3S 0.00000 0.00000 -0.00202 -0.00079 -0.00109 26 3PX 0.00000 0.00000 0.00011 -0.00021 0.00030 27 3PY 0.00000 0.00000 0.00029 0.00037 -0.00004 28 3PZ -0.00012 -0.00023 0.00000 0.00000 0.00000 29 4S 0.00000 0.00000 0.00873 0.00109 0.00015 30 4PX 0.00000 0.00000 0.00804 0.00429 0.00124 31 4PY 0.00000 0.00000 -0.00093 0.00037 0.00117 32 4PZ -0.00245 0.00269 0.00000 0.00000 0.00000 33 5XX 0.00000 0.00000 0.00004 -0.00005 0.00055 34 5YY 0.00000 0.00000 0.00014 -0.00002 0.00033 35 5ZZ 0.00000 0.00000 0.00005 0.00036 0.00013 36 5XY 0.00000 0.00000 -0.00030 -0.00016 0.00025 37 5XZ -0.00012 0.00002 0.00000 0.00000 0.00000 38 5YZ 0.00019 -0.00005 0.00000 0.00000 0.00000 39 3 Cl 1S 0.00000 -0.00001 0.00000 0.00001 0.00000 40 2S -0.00001 -0.00004 0.00000 0.00010 -0.00006 41 2PX 0.00015 -0.00002 0.00011 0.00000 -0.00001 42 2PY 0.00020 -0.00003 -0.00005 0.00000 -0.00001 43 2PZ -0.00003 -0.00019 0.00000 0.00003 -0.00005 44 3S -0.00003 -0.00020 -0.00002 0.00035 -0.00019 45 3PX -0.00021 0.00003 -0.00015 -0.00001 0.00001 46 3PY -0.00023 0.00003 0.00008 0.00000 0.00006 47 3PZ 0.00003 0.00025 0.00000 -0.00001 0.00018 48 4S 0.00022 0.00162 0.00013 -0.00292 0.00162 49 4PX 0.00110 -0.00015 0.00120 0.00005 0.00056 50 4PY 0.00027 -0.00004 -0.00100 -0.00005 -0.00022 51 4PZ -0.00008 -0.00060 0.00003 -0.00070 0.00015 52 5XX 0.00000 0.00001 -0.00001 0.00018 0.00000 53 5YY -0.00001 -0.00006 0.00000 0.00011 -0.00009 54 5ZZ -0.00001 -0.00009 0.00000 0.00007 -0.00004 55 5XY 0.00001 0.00004 0.00000 -0.00003 0.00000 56 5XZ 0.00003 0.00000 0.00004 0.00000 0.00005 57 5YZ 0.00003 0.00000 -0.00004 0.00000 0.00000 58 4 Cl 1S 0.00000 0.00001 0.00000 0.00001 0.00000 59 2S 0.00001 0.00004 0.00000 0.00010 -0.00006 60 2PX -0.00015 0.00002 0.00011 0.00000 -0.00001 61 2PY -0.00020 0.00003 -0.00005 0.00000 -0.00001 62 2PZ -0.00003 -0.00019 0.00000 -0.00003 0.00005 63 3S 0.00003 0.00020 -0.00002 0.00035 -0.00019 64 3PX 0.00021 -0.00003 -0.00015 -0.00001 0.00001 65 3PY 0.00023 -0.00003 0.00008 0.00000 0.00006 66 3PZ 0.00003 0.00025 0.00000 0.00001 -0.00018 67 4S -0.00022 -0.00162 0.00013 -0.00292 0.00162 68 4PX -0.00110 0.00015 0.00120 0.00005 0.00056 69 4PY -0.00027 0.00004 -0.00100 -0.00005 -0.00022 70 4PZ -0.00008 -0.00060 -0.00003 0.00070 -0.00015 71 5XX 0.00000 -0.00001 -0.00001 0.00018 0.00000 72 5YY 0.00001 0.00006 0.00000 0.00011 -0.00009 73 5ZZ 0.00001 0.00009 0.00000 0.00007 -0.00004 74 5XY -0.00001 -0.00004 0.00000 -0.00003 0.00000 75 5XZ 0.00003 0.00000 -0.00004 0.00000 -0.00005 76 5YZ 0.00003 0.00000 0.00004 0.00000 0.00000 77 5 Cl 1S 0.00000 0.00000 -0.00002 0.00002 0.00000 78 2S 0.00000 0.00000 -0.00001 -0.00002 -0.00004 79 2PX -0.00011 -0.00009 0.72745 -0.66460 -0.00003 80 2PY 0.00001 0.00001 0.07735 -0.07072 -0.00002 81 2PZ 0.78747 0.60157 0.00011 -0.00009 0.00000 82 3S 0.00000 0.00000 -0.00025 0.00011 -0.00007 83 3PX 0.00000 0.00000 0.02155 -0.01953 0.00007 84 3PY 0.00000 0.00000 0.00222 -0.00202 0.00004 85 3PZ 0.02296 0.01751 0.00000 0.00000 0.00000 86 4S 0.00000 0.00000 0.00162 -0.00059 0.00073 87 4PX 0.00000 0.00000 -0.00801 0.00664 0.00006 88 4PY 0.00000 0.00000 -0.00020 0.00044 0.00055 89 4PZ -0.00727 -0.00545 0.00000 0.00000 0.00000 90 5XX 0.00000 0.00000 -0.00017 0.00009 -0.00009 91 5YY 0.00000 0.00000 -0.00007 0.00003 0.00001 92 5ZZ 0.00000 0.00000 -0.00011 0.00007 -0.00004 93 5XY 0.00000 0.00000 0.00007 -0.00010 0.00009 94 5XZ -0.00003 -0.00001 0.00000 0.00000 0.00000 95 5YZ 0.00016 0.00012 0.00000 0.00000 0.00000 96 6 Cl 1S 0.00000 0.00000 0.00002 0.00002 0.00000 97 2S 0.00000 0.00000 0.00001 -0.00002 0.00001 98 2PX 0.00008 -0.00011 0.66457 0.72747 0.00001 99 2PY -0.00001 0.00001 0.07074 0.07749 0.00000 100 2PZ -0.60156 0.78748 0.00010 0.00010 0.00000 101 3S 0.00000 0.00000 0.00024 0.00013 0.00006 102 3PX 0.00000 0.00000 0.01970 0.02139 -0.00004 103 3PY 0.00000 0.00000 0.00203 0.00222 0.00000 104 3PZ -0.01755 0.02293 0.00000 0.00000 0.00000 105 4S 0.00000 0.00000 -0.00156 -0.00073 -0.00046 106 4PX 0.00000 0.00000 -0.00738 -0.00733 -0.00010 107 4PY 0.00000 0.00000 -0.00016 -0.00045 -0.00005 108 4PZ 0.00558 -0.00717 0.00000 0.00000 0.00000 109 5XX 0.00000 0.00000 0.00016 0.00011 0.00002 110 5YY 0.00000 0.00000 0.00007 0.00003 0.00005 111 5ZZ 0.00000 0.00000 0.00011 0.00008 0.00002 112 5XY 0.00000 0.00000 -0.00006 -0.00011 0.00003 113 5XZ -0.00002 0.00002 0.00000 0.00000 0.00000 114 5YZ 0.00013 -0.00016 0.00000 0.00000 0.00000 115 7 Br 1S 0.00000 0.00000 0.00002 -0.00001 0.00060 116 2S 0.00000 0.00000 0.00006 -0.00002 -0.00414 117 3S 0.00000 0.00000 -0.00034 0.00012 0.00548 118 4S 0.00000 0.00000 0.00005 -0.00002 0.00431 119 5S 0.00000 0.00000 0.00170 -0.00109 -0.00385 120 6S 0.00000 0.00000 -0.00570 0.00362 0.01794 121 7PX 0.00000 0.00000 0.00001 -0.00001 -0.32770 122 7PY 0.00000 0.00000 0.00000 0.00000 -0.25828 123 7PZ 0.00001 0.00001 0.00000 0.00000 -0.00001 124 8PX 0.00000 0.00000 -0.00003 0.00004 0.80417 125 8PY 0.00000 0.00000 0.00002 -0.00001 0.63381 126 8PZ -0.00005 -0.00004 0.00000 0.00000 0.00002 127 9PX 0.00000 0.00000 0.00020 -0.00024 0.02171 128 9PY 0.00000 0.00000 -0.00017 0.00011 0.01693 129 9PZ 0.00033 0.00029 0.00000 0.00000 0.00000 130 10PX 0.00000 0.00000 -0.00040 0.00028 -0.00716 131 10PY 0.00000 0.00000 0.00098 -0.00066 -0.00511 132 10PZ -0.00097 -0.00075 0.00000 0.00000 0.00000 133 11XX 0.00000 0.00000 0.00024 -0.00008 -0.00364 134 11YY 0.00000 0.00000 0.00026 -0.00009 -0.00300 135 11ZZ 0.00000 0.00000 0.00025 -0.00010 -0.00199 136 11XY 0.00000 0.00000 0.00000 -0.00001 -0.00149 137 11XZ -0.00002 -0.00002 0.00000 0.00000 0.00000 138 11YZ -0.00002 -0.00001 0.00000 0.00000 0.00000 139 12XX 0.00000 0.00000 0.00122 -0.00066 -0.00482 140 12YY 0.00000 0.00000 0.00102 -0.00053 -0.00488 141 12ZZ 0.00000 0.00000 0.00120 -0.00048 -0.00468 142 12XY 0.00000 0.00000 -0.00005 0.00007 -0.00018 143 12XZ 0.00015 0.00013 0.00000 0.00000 0.00000 144 12YZ 0.00013 0.00006 0.00000 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 -0.00002 -0.00001 0.00016 146 2S 0.00000 0.00000 -0.00006 -0.00003 -0.00111 147 3S 0.00000 0.00000 0.00032 0.00015 0.00152 148 4S 0.00000 0.00000 -0.00005 -0.00002 0.00112 149 5S 0.00000 0.00000 -0.00159 -0.00124 -0.00139 150 6S 0.00000 0.00000 0.00535 0.00412 0.00597 151 7PX 0.00000 0.00000 0.00001 0.00001 0.08650 152 7PY 0.00000 0.00000 0.00000 0.00000 0.06821 153 7PZ -0.00001 0.00001 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 -0.00003 -0.00004 -0.21227 155 8PY 0.00000 0.00000 0.00002 0.00001 -0.16739 156 8PZ 0.00004 -0.00005 0.00000 0.00000 -0.00001 157 9PX 0.00000 0.00000 0.00018 0.00026 -0.00574 158 9PY 0.00000 0.00000 -0.00016 -0.00012 -0.00450 159 9PZ -0.00024 0.00036 0.00000 0.00000 0.00000 160 10PX 0.00000 0.00000 -0.00037 -0.00032 0.00195 161 10PY 0.00000 0.00000 0.00092 0.00075 0.00146 162 10PZ 0.00074 -0.00097 0.00000 0.00000 0.00000 163 11XX 0.00000 0.00000 -0.00024 -0.00010 -0.00101 164 11YY 0.00000 0.00000 -0.00026 -0.00011 -0.00084 165 11ZZ 0.00000 0.00000 -0.00024 -0.00013 -0.00058 166 11XY 0.00000 0.00000 0.00000 -0.00001 -0.00040 167 11XZ -0.00001 0.00002 0.00000 0.00000 0.00000 168 11YZ -0.00001 0.00001 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 -0.00115 -0.00076 -0.00152 170 12YY 0.00000 0.00000 -0.00097 -0.00062 -0.00155 171 12ZZ 0.00000 0.00000 -0.00116 -0.00059 -0.00151 172 12XY 0.00000 0.00000 0.00004 0.00007 -0.00003 173 12XZ 0.00011 -0.00017 0.00000 0.00000 0.00000 174 12YZ 0.00011 -0.00010 0.00000 0.00000 0.00000 36 37 38 39 40 O O O O O Eigenvalues -- -6.54925 -6.54263 -6.54263 -6.54238 -6.54238 1 1 Al 1S -0.00001 0.00000 0.00000 -0.00002 0.00000 2 2S 0.00006 0.00000 0.00000 -0.00028 0.00001 3 2PX -0.00009 0.00000 0.00000 0.00000 0.00003 4 2PY -0.00004 0.00000 0.00000 -0.00001 0.00000 5 2PZ 0.00000 0.00001 0.00002 0.00000 0.00000 6 3S -0.00065 0.00000 0.00000 -0.00198 0.00031 7 3PX 0.00021 0.00000 0.00000 0.00013 -0.00019 8 3PY 0.00001 0.00000 0.00000 0.00023 -0.00012 9 3PZ 0.00000 0.00007 -0.00017 0.00000 0.00000 10 4S -0.00350 0.00000 0.00000 0.00904 0.00030 11 4PX 0.00117 0.00000 0.00000 -0.00597 0.00103 12 4PY -0.00010 0.00000 0.00000 0.00428 -0.00185 13 4PZ 0.00000 0.00288 0.00057 0.00000 0.00000 14 5XX 0.00039 0.00000 0.00000 0.00017 0.00001 15 5YY 0.00038 0.00000 0.00000 0.00000 -0.00001 16 5ZZ 0.00025 0.00000 0.00000 0.00010 -0.00031 17 5XY 0.00034 0.00000 0.00000 0.00009 -0.00003 18 5XZ 0.00000 -0.00005 0.00010 0.00000 0.00000 19 5YZ 0.00000 0.00013 0.00005 0.00000 0.00000 20 2 Al 1S 0.00003 0.00000 0.00000 0.00001 0.00001 21 2S -0.00001 0.00000 0.00000 0.00027 0.00008 22 2PX -0.00021 0.00000 0.00000 0.00001 -0.00003 23 2PY -0.00017 0.00000 0.00000 -0.00001 -0.00001 24 2PZ 0.00000 0.00001 0.00002 0.00000 0.00000 25 3S 0.00323 0.00000 0.00000 0.00181 0.00086 26 3PX -0.00010 0.00000 0.00000 0.00007 0.00022 27 3PY 0.00010 0.00000 0.00000 0.00019 0.00018 28 3PZ 0.00000 -0.00019 -0.00004 0.00000 0.00000 29 4S 0.00684 0.00000 0.00000 -0.00875 -0.00229 30 4PX 0.00018 0.00000 0.00000 -0.00543 -0.00269 31 4PY -0.00226 0.00000 0.00000 0.00357 0.00299 32 4PZ 0.00000 -0.00109 0.00273 0.00000 0.00000 33 5XX -0.00175 0.00000 0.00000 -0.00016 -0.00004 34 5YY -0.00136 0.00000 0.00000 0.00000 -0.00001 35 5ZZ -0.00074 0.00000 0.00000 0.00000 -0.00033 36 5XY -0.00112 0.00000 0.00000 -0.00007 -0.00005 37 5XZ 0.00000 -0.00011 -0.00001 0.00000 0.00000 38 5YZ 0.00000 0.00003 -0.00013 0.00000 0.00000 39 3 Cl 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 40 2S 0.00003 -0.00002 -0.00004 0.00002 -0.00010 41 2PX -0.00001 0.00000 0.00000 -0.00004 -0.00001 42 2PY -0.00003 -0.00005 0.00003 0.00001 0.00000 43 2PZ 0.00003 -0.00002 -0.00004 0.00000 0.00000 44 3S 0.00011 -0.00009 -0.00016 0.00005 -0.00034 45 3PX 0.00001 -0.00003 0.00002 0.00023 0.00003 46 3PY 0.00010 0.00021 -0.00011 -0.00005 -0.00001 47 3PZ -0.00010 0.00010 0.00018 0.00000 -0.00002 48 4S -0.00094 0.00070 0.00129 -0.00039 0.00271 49 4PX 0.00096 0.00058 -0.00031 -0.00172 -0.00025 50 4PY -0.00038 -0.00061 0.00033 0.00020 0.00003 51 4PZ -0.00009 -0.00021 -0.00039 -0.00010 0.00070 52 5XX 0.00000 -0.00002 -0.00004 0.00002 -0.00016 53 5YY 0.00005 -0.00002 -0.00003 0.00002 -0.00016 54 5ZZ 0.00002 -0.00005 -0.00009 0.00002 -0.00011 55 5XY 0.00000 -0.00001 -0.00002 -0.00001 0.00004 56 5XZ 0.00008 0.00001 -0.00001 -0.00007 -0.00001 57 5YZ 0.00000 -0.00001 0.00001 -0.00001 0.00000 58 4 Cl 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 59 2S 0.00003 0.00002 0.00004 0.00001 -0.00010 60 2PX -0.00001 0.00000 0.00000 -0.00004 -0.00001 61 2PY -0.00003 0.00005 -0.00003 0.00001 0.00000 62 2PZ -0.00003 -0.00002 -0.00004 0.00000 0.00000 63 3S 0.00011 0.00009 0.00016 0.00005 -0.00034 64 3PX 0.00001 0.00003 -0.00002 0.00023 0.00003 65 3PY 0.00010 -0.00021 0.00011 -0.00005 -0.00001 66 3PZ 0.00010 0.00010 0.00018 0.00000 0.00002 67 4S -0.00094 -0.00070 -0.00129 -0.00039 0.00271 68 4PX 0.00096 -0.00058 0.00031 -0.00172 -0.00025 69 4PY -0.00038 0.00061 -0.00033 0.00020 0.00003 70 4PZ 0.00009 -0.00021 -0.00039 0.00010 -0.00070 71 5XX 0.00000 0.00002 0.00004 0.00002 -0.00016 72 5YY 0.00005 0.00002 0.00003 0.00002 -0.00016 73 5ZZ 0.00002 0.00005 0.00009 0.00002 -0.00011 74 5XY 0.00000 0.00001 0.00002 -0.00001 0.00004 75 5XZ -0.00008 0.00001 -0.00001 0.00007 0.00001 76 5YZ 0.00000 -0.00002 0.00001 0.00001 0.00000 77 5 Cl 1S 0.00000 0.00000 0.00000 -0.00001 0.00000 78 2S -0.00004 0.00000 0.00000 -0.00005 0.00004 79 2PX 0.00000 0.00000 0.00000 0.00005 -0.00004 80 2PY -0.00001 0.00000 0.00000 -0.00003 0.00002 81 2PZ 0.00000 -0.00007 -0.00003 0.00000 0.00000 82 3S -0.00011 0.00000 0.00000 -0.00020 0.00015 83 3PX 0.00000 0.00000 0.00000 -0.00022 0.00016 84 3PY 0.00002 0.00000 0.00000 0.00011 -0.00008 85 3PZ 0.00000 0.00028 0.00010 0.00000 0.00000 86 4S 0.00095 0.00000 0.00000 0.00114 -0.00124 87 4PX -0.00008 0.00000 0.00000 0.00099 -0.00049 88 4PY 0.00025 0.00000 0.00000 -0.00008 -0.00008 89 4PZ 0.00000 -0.00093 -0.00028 0.00000 0.00000 90 5XX -0.00008 0.00000 0.00000 -0.00009 0.00008 91 5YY -0.00005 0.00000 0.00000 -0.00006 0.00005 92 5ZZ -0.00004 0.00000 0.00000 -0.00011 0.00005 93 5XY 0.00001 0.00000 0.00000 0.00006 -0.00003 94 5XZ 0.00000 0.00000 0.00001 0.00000 0.00000 95 5YZ 0.00000 -0.00005 -0.00001 0.00000 0.00000 96 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00001 97 2S 0.00005 0.00000 0.00000 0.00003 0.00005 98 2PX -0.00002 0.00000 0.00000 0.00004 0.00005 99 2PY -0.00002 0.00000 0.00000 -0.00002 -0.00003 100 2PZ 0.00000 0.00001 -0.00007 0.00000 0.00000 101 3S 0.00012 0.00000 0.00000 0.00014 0.00020 102 3PX 0.00006 0.00000 0.00000 -0.00017 -0.00022 103 3PY 0.00004 0.00000 0.00000 0.00008 0.00011 104 3PZ 0.00000 -0.00007 0.00029 0.00000 0.00000 105 4S -0.00110 0.00000 0.00000 -0.00074 -0.00151 106 4PX 0.00001 0.00000 0.00000 0.00081 0.00075 107 4PY 0.00060 0.00000 0.00000 -0.00010 0.00005 108 4PZ 0.00000 0.00027 -0.00093 0.00000 0.00000 109 5XX 0.00012 0.00000 0.00000 0.00006 0.00010 110 5YY 0.00002 0.00000 0.00000 0.00004 0.00006 111 5ZZ 0.00005 0.00000 0.00000 0.00009 0.00008 112 5XY -0.00008 0.00000 0.00000 -0.00005 -0.00004 113 5XZ 0.00000 -0.00001 0.00000 0.00000 0.00000 114 5YZ 0.00000 -0.00002 0.00005 0.00000 0.00000 115 7 Br 1S 0.00016 0.00000 0.00000 0.00000 0.00000 116 2S -0.00107 0.00000 0.00000 0.00004 -0.00003 117 3S 0.00136 0.00000 0.00000 -0.00016 0.00010 118 4S 0.00116 0.00000 0.00000 0.00004 -0.00002 119 5S -0.00059 0.00000 0.00000 0.00121 -0.00049 120 6S 0.00332 0.00000 0.00000 -0.00368 0.00152 121 7PX -0.08653 0.00005 0.00002 0.21413 -0.15980 122 7PY -0.06817 -0.00005 -0.00002 -0.27174 0.20275 123 7PZ 0.00000 -0.41394 -0.12249 0.00006 -0.00005 124 8PX 0.21235 -0.00013 -0.00004 -0.52552 0.39219 125 8PY 0.16730 0.00013 0.00004 0.66692 -0.49760 126 8PZ 0.00000 1.01593 0.30064 -0.00015 0.00011 127 9PX 0.00572 0.00000 0.00000 -0.01371 0.01010 128 9PY 0.00444 0.00000 0.00000 0.01712 -0.01267 129 9PZ 0.00000 0.02584 0.00762 0.00000 0.00000 130 10PX -0.00182 0.00000 0.00000 0.00502 -0.00312 131 10PY -0.00122 0.00000 0.00000 -0.00496 0.00350 132 10PZ 0.00000 -0.00708 -0.00203 0.00000 0.00000 133 11XX -0.00090 0.00000 0.00000 0.00119 -0.00087 134 11YY -0.00073 0.00000 0.00000 -0.00098 0.00073 135 11ZZ -0.00047 0.00000 0.00000 0.00011 -0.00007 136 11XY -0.00039 0.00000 0.00000 -0.00029 0.00022 137 11XZ 0.00000 -0.00118 -0.00035 0.00000 0.00000 138 11YZ 0.00000 -0.00092 -0.00027 0.00000 0.00000 139 12XX -0.00099 0.00000 0.00000 0.00034 -0.00014 140 12YY -0.00099 0.00000 0.00000 0.00103 -0.00051 141 12ZZ -0.00092 0.00000 0.00000 0.00070 -0.00038 142 12XY -0.00007 0.00000 0.00000 -0.00003 -0.00002 143 12XZ 0.00000 0.00017 0.00006 0.00000 0.00000 144 12YZ 0.00000 0.00015 0.00003 0.00000 0.00000 145 8 Br 1S -0.00060 0.00000 0.00000 0.00000 0.00000 146 2S 0.00413 0.00000 0.00000 -0.00003 -0.00004 147 3S -0.00544 0.00000 0.00000 0.00012 0.00014 148 4S -0.00432 0.00000 0.00000 -0.00003 -0.00003 149 5S 0.00364 0.00000 0.00000 -0.00102 -0.00081 150 6S -0.01724 0.00000 0.00000 0.00310 0.00250 151 7PX -0.32768 -0.00001 0.00005 0.15979 0.21418 152 7PY -0.25831 0.00001 -0.00004 -0.20274 -0.27170 153 7PZ -0.00001 0.12249 -0.41394 0.00004 0.00005 154 8PX 0.80411 0.00003 -0.00011 -0.39216 -0.52567 155 8PY 0.63389 -0.00003 0.00011 0.49758 0.66684 156 8PZ 0.00002 -0.30063 1.01593 -0.00010 -0.00013 157 9PX 0.02170 0.00000 0.00000 -0.01027 -0.01359 158 9PY 0.01691 0.00000 0.00000 0.01280 0.01702 159 9PZ 0.00000 -0.00766 0.02582 0.00000 0.00000 160 10PX -0.00713 0.00000 0.00000 0.00392 0.00442 161 10PY -0.00505 0.00000 0.00000 -0.00376 -0.00477 162 10PZ 0.00000 0.00215 -0.00705 0.00000 0.00000 163 11XX 0.00361 0.00000 0.00000 -0.00089 -0.00117 164 11YY 0.00297 0.00000 0.00000 0.00073 0.00098 165 11ZZ 0.00196 0.00000 0.00000 -0.00009 -0.00009 166 11XY 0.00149 0.00000 0.00000 0.00021 0.00029 167 11XZ 0.00000 -0.00035 0.00118 0.00000 0.00000 168 11YZ 0.00000 -0.00028 0.00092 0.00000 0.00000 169 12XX 0.00468 0.00000 0.00000 -0.00029 -0.00024 170 12YY 0.00474 0.00000 0.00000 -0.00085 -0.00078 171 12ZZ 0.00453 0.00000 0.00000 -0.00056 -0.00056 172 12XY 0.00019 0.00000 0.00000 0.00003 -0.00001 173 12XZ 0.00000 0.00005 -0.00018 0.00000 0.00000 174 12YZ 0.00000 0.00006 -0.00015 0.00000 0.00000 41 42 43 44 45 O O O O O Eigenvalues -- -4.24704 -4.24704 -2.80158 -2.80158 -2.80080 1 1 Al 1S -0.22551 -0.13256 0.00000 0.00000 -0.00096 2 2S 0.88237 0.51873 0.00000 0.00000 0.00368 3 2PX -0.00351 -0.00206 -0.00023 -0.00010 0.66989 4 2PY 0.00163 0.00095 0.00009 0.00004 -0.24850 5 2PZ 0.00000 0.00000 0.89680 0.42537 0.00020 6 3S 0.06046 0.03534 0.00000 0.00000 -0.00347 7 3PX -0.00066 -0.00117 -0.00001 0.00000 0.02381 8 3PY 0.00025 0.00044 0.00000 0.00000 -0.00882 9 3PZ 0.00000 0.00000 0.02835 0.01371 0.00001 10 4S -0.01008 -0.00288 0.00000 0.00000 -0.00010 11 4PX 0.00216 -0.00105 0.00000 0.00000 -0.00442 12 4PY -0.00066 0.00036 0.00000 0.00000 0.00191 13 4PZ 0.00000 0.00000 -0.00551 -0.00343 0.00000 14 5XX -0.01446 -0.00837 0.00000 0.00000 0.00034 15 5YY -0.01468 -0.00847 0.00000 0.00000 0.00238 16 5ZZ -0.01531 -0.00861 0.00000 0.00000 -0.00048 17 5XY 0.00001 0.00002 0.00000 0.00000 0.00145 18 5XZ 0.00000 0.00000 -0.00219 -0.00135 0.00000 19 5YZ 0.00000 0.00000 0.00104 0.00060 0.00000 20 2 Al 1S 0.13255 -0.22552 0.00000 0.00000 -0.00092 21 2S -0.51863 0.88242 0.00000 0.00000 0.00353 22 2PX -0.00207 0.00350 0.00012 -0.00024 -0.64531 23 2PY 0.00096 -0.00163 -0.00005 0.00010 0.23934 24 2PZ 0.00000 0.00000 -0.42537 0.89680 -0.00021 25 3S -0.03563 0.06028 0.00000 0.00000 -0.00342 26 3PX -0.00001 0.00135 0.00000 -0.00001 -0.02299 27 3PY 0.00001 -0.00050 0.00000 0.00000 0.00851 28 3PZ 0.00000 0.00000 -0.01328 0.02855 -0.00001 29 4S 0.00741 -0.00742 0.00000 0.00000 -0.00009 30 4PX 0.00240 -0.00013 0.00000 0.00000 0.00426 31 4PY -0.00075 0.00001 0.00000 0.00000 -0.00185 32 4PZ 0.00000 0.00000 0.00209 -0.00614 0.00000 33 5XX 0.00856 -0.01435 0.00000 0.00000 0.00035 34 5YY 0.00871 -0.01454 0.00000 0.00000 0.00229 35 5ZZ 0.00919 -0.01497 0.00000 0.00000 -0.00049 36 5XY 0.00000 0.00002 0.00000 0.00000 0.00138 37 5XZ 0.00000 0.00000 -0.00084 0.00243 0.00000 38 5YZ 0.00000 0.00000 0.00042 -0.00112 0.00000 39 3 Cl 1S 0.00001 0.00004 -0.00004 -0.00012 -0.00014 40 2S 0.00003 0.00010 0.00014 0.00039 0.00034 41 2PX -0.00007 0.00002 0.00035 -0.00013 0.00000 42 2PY 0.00002 -0.00001 -0.00014 0.00005 0.00000 43 2PZ -0.00004 -0.00016 0.00013 0.00036 0.00043 44 3S 0.00019 0.00072 -0.00046 -0.00130 -0.00168 45 3PX -0.00017 0.00004 -0.00040 0.00014 0.00000 46 3PY 0.00009 -0.00002 0.00015 -0.00005 0.00000 47 3PZ 0.00008 0.00031 -0.00020 -0.00055 -0.00059 48 4S -0.00135 -0.00520 0.00120 0.00337 0.00538 49 4PX -0.00127 0.00033 0.00340 -0.00121 0.00003 50 4PY 0.00040 -0.00010 -0.00132 0.00047 -0.00001 51 4PZ -0.00091 -0.00351 0.00123 0.00344 0.00487 52 5XX 0.00009 0.00034 0.00011 0.00030 -0.00032 53 5YY 0.00012 0.00045 -0.00003 -0.00008 -0.00030 54 5ZZ 0.00007 0.00027 -0.00005 -0.00014 0.00026 55 5XY 0.00002 0.00006 -0.00007 -0.00020 0.00000 56 5XZ -0.00003 0.00001 0.00017 -0.00006 0.00000 57 5YZ 0.00001 0.00000 -0.00006 0.00002 0.00000 58 4 Cl 1S 0.00001 0.00004 0.00004 0.00012 -0.00014 59 2S 0.00003 0.00010 -0.00014 -0.00039 0.00034 60 2PX -0.00007 0.00002 -0.00035 0.00013 0.00000 61 2PY 0.00002 -0.00001 0.00014 -0.00005 0.00000 62 2PZ 0.00004 0.00016 0.00013 0.00036 -0.00043 63 3S 0.00019 0.00072 0.00046 0.00130 -0.00168 64 3PX -0.00017 0.00004 0.00040 -0.00014 0.00000 65 3PY 0.00009 -0.00002 -0.00015 0.00005 0.00000 66 3PZ -0.00008 -0.00031 -0.00020 -0.00055 0.00059 67 4S -0.00135 -0.00520 -0.00120 -0.00337 0.00538 68 4PX -0.00127 0.00033 -0.00340 0.00121 0.00003 69 4PY 0.00040 -0.00010 0.00132 -0.00047 -0.00001 70 4PZ 0.00091 0.00351 0.00123 0.00344 -0.00487 71 5XX 0.00009 0.00034 -0.00011 -0.00030 -0.00032 72 5YY 0.00012 0.00045 0.00003 0.00008 -0.00030 73 5ZZ 0.00007 0.00027 0.00005 0.00014 0.00026 74 5XY 0.00002 0.00006 0.00007 0.00020 0.00000 75 5XZ 0.00003 -0.00001 0.00017 -0.00006 0.00000 76 5YZ -0.00001 0.00000 -0.00006 0.00002 0.00000 77 5 Cl 1S 0.00004 0.00002 0.00000 0.00000 0.00009 78 2S -0.00010 -0.00008 0.00000 0.00000 -0.00033 79 2PX 0.00001 0.00000 0.00000 0.00000 0.00000 80 2PY -0.00034 -0.00018 0.00000 0.00000 -0.00043 81 2PZ 0.00000 0.00000 -0.00011 -0.00003 0.00000 82 3S -0.00009 -0.00015 0.00000 0.00000 0.00054 83 3PX 0.00004 0.00003 0.00000 0.00000 -0.00017 84 3PY 0.00063 0.00028 0.00000 0.00000 0.00063 85 3PZ 0.00000 0.00000 0.00011 -0.00005 0.00000 86 4S -0.00256 -0.00120 0.00000 0.00000 -0.00195 87 4PX -0.00008 0.00020 0.00000 0.00000 0.00003 88 4PY -0.00262 -0.00134 0.00000 0.00000 -0.00219 89 4PZ 0.00000 0.00000 -0.00079 -0.00004 0.00000 90 5XX 0.00016 0.00004 0.00000 0.00000 0.00004 91 5YY 0.00074 0.00038 0.00000 0.00000 0.00033 92 5ZZ 0.00019 0.00003 0.00000 0.00000 0.00004 93 5XY -0.00007 -0.00001 0.00000 0.00000 -0.00015 94 5XZ 0.00000 0.00000 0.00002 0.00001 0.00000 95 5YZ 0.00000 0.00000 -0.00016 -0.00005 0.00000 96 6 Cl 1S -0.00003 0.00004 0.00000 0.00000 0.00009 97 2S 0.00005 -0.00012 0.00000 0.00000 -0.00031 98 2PX 0.00001 -0.00001 0.00000 0.00000 0.00000 99 2PY -0.00021 0.00033 0.00000 0.00000 0.00042 100 2PZ 0.00000 0.00000 0.00006 -0.00010 0.00000 101 3S 0.00000 -0.00018 0.00000 0.00000 0.00053 102 3PX 0.00002 -0.00005 0.00000 0.00000 0.00017 103 3PY 0.00041 -0.00055 0.00000 0.00000 -0.00062 104 3PZ 0.00000 0.00000 -0.00012 0.00003 0.00000 105 4S 0.00166 -0.00229 0.00000 0.00000 -0.00192 106 4PX -0.00017 -0.00013 0.00000 0.00000 -0.00006 107 4PY -0.00163 0.00245 0.00000 0.00000 0.00214 108 4PZ 0.00000 0.00000 0.00059 -0.00053 0.00000 109 5XX -0.00012 0.00012 0.00000 0.00000 0.00004 110 5YY -0.00046 0.00069 0.00000 0.00000 0.00032 111 5ZZ -0.00015 0.00012 0.00000 0.00000 0.00005 112 5XY 0.00006 -0.00004 0.00000 0.00000 -0.00014 113 5XZ 0.00000 0.00000 0.00002 -0.00002 0.00000 114 5YZ 0.00000 0.00000 -0.00009 0.00014 0.00000 115 7 Br 1S -0.00002 -0.00002 0.00000 0.00000 -0.00004 116 2S 0.00012 0.00003 0.00000 0.00000 0.00033 117 3S -0.00018 0.00008 0.00000 0.00000 -0.00049 118 4S 0.00000 -0.00006 0.00000 0.00000 -0.00040 119 5S 0.00191 0.00045 0.00000 0.00000 0.00180 120 6S -0.00589 -0.00122 0.00000 0.00000 -0.00514 121 7PX -0.00010 -0.00005 0.00000 0.00000 -0.00013 122 7PY -0.00009 -0.00005 0.00000 0.00000 -0.00013 123 7PZ 0.00000 0.00000 0.00004 0.00001 0.00000 124 8PX 0.00029 0.00014 0.00000 0.00000 0.00039 125 8PY 0.00025 0.00013 0.00000 0.00000 0.00035 126 8PZ 0.00000 0.00000 -0.00011 -0.00003 0.00000 127 9PX -0.00037 -0.00012 0.00000 0.00000 -0.00055 128 9PY -0.00041 -0.00014 0.00000 0.00000 -0.00026 129 9PZ 0.00000 0.00000 0.00011 -0.00007 0.00000 130 10PX 0.00196 0.00108 0.00000 0.00000 0.00198 131 10PY 0.00193 0.00075 0.00000 0.00000 0.00166 132 10PZ 0.00000 0.00000 -0.00072 -0.00001 0.00000 133 11XX 0.00011 -0.00006 0.00000 0.00000 0.00083 134 11YY 0.00006 -0.00010 0.00000 0.00000 0.00140 135 11ZZ -0.00003 -0.00013 0.00000 0.00000 -0.00152 136 11XY 0.00011 0.00007 0.00000 0.00000 0.00319 137 11XZ 0.00000 0.00000 -0.00119 -0.00056 0.00000 138 11YZ 0.00000 0.00000 -0.00095 -0.00045 0.00000 139 12XX 0.00101 -0.00002 0.00000 0.00000 0.00124 140 12YY 0.00102 0.00010 0.00000 0.00000 0.00052 141 12ZZ 0.00118 0.00002 0.00000 0.00000 0.00110 142 12XY -0.00008 -0.00005 0.00000 0.00000 -0.00025 143 12XZ 0.00000 0.00000 0.00061 0.00022 0.00000 144 12YZ 0.00000 0.00000 0.00047 0.00019 0.00000 145 8 Br 1S 0.00001 -0.00003 0.00000 0.00000 -0.00004 146 2S -0.00009 0.00009 0.00000 0.00000 0.00032 147 3S 0.00019 -0.00002 0.00000 0.00000 -0.00048 148 4S -0.00002 -0.00005 0.00000 0.00000 -0.00038 149 5S -0.00145 0.00132 0.00000 0.00000 0.00180 150 6S 0.00455 -0.00393 0.00000 0.00000 -0.00514 151 7PX -0.00006 0.00009 0.00000 0.00000 0.00013 152 7PY -0.00005 0.00008 0.00000 0.00000 0.00012 153 7PZ 0.00000 0.00000 -0.00002 0.00003 0.00000 154 8PX 0.00018 -0.00026 0.00000 0.00000 -0.00038 155 8PY 0.00015 -0.00023 0.00000 0.00000 -0.00034 156 8PZ 0.00000 0.00000 0.00007 -0.00010 0.00000 157 9PX -0.00027 0.00028 0.00000 0.00000 0.00055 158 9PY -0.00029 0.00032 0.00000 0.00000 0.00025 159 9PZ 0.00000 0.00000 -0.00012 0.00002 0.00000 160 10PX 0.00118 -0.00190 0.00000 0.00000 -0.00195 161 10PY 0.00132 -0.00159 0.00000 0.00000 -0.00160 162 10PZ 0.00000 0.00000 0.00055 -0.00046 0.00000 163 11XX -0.00012 0.00000 0.00000 0.00000 0.00081 164 11YY -0.00010 -0.00005 0.00000 0.00000 0.00136 165 11ZZ -0.00004 -0.00013 0.00000 0.00000 -0.00145 166 11XY -0.00007 0.00012 0.00000 0.00000 0.00308 167 11XZ 0.00000 0.00000 -0.00057 0.00119 0.00000 168 11YZ 0.00000 0.00000 -0.00045 0.00095 0.00000 169 12XX -0.00089 0.00047 0.00000 0.00000 0.00123 170 12YY -0.00084 0.00059 0.00000 0.00000 0.00054 171 12ZZ -0.00102 0.00059 0.00000 0.00000 0.00111 172 12XY 0.00005 -0.00008 0.00000 0.00000 -0.00024 173 12XZ 0.00000 0.00000 0.00034 -0.00056 0.00000 174 12YZ 0.00000 0.00000 0.00024 -0.00044 0.00000 46 47 48 49 50 O O O O O Eigenvalues -- -2.80076 -2.79891 -2.79890 -2.66573 -2.66573 1 1 Al 1S -0.00091 0.00007 0.00006 0.00023 -0.00001 2 2S 0.00386 -0.00033 -0.00028 -0.00131 -0.00001 3 2PX 0.64549 0.26120 0.22476 -0.00891 0.00028 4 2PY -0.23882 0.70431 0.60770 -0.00713 0.00021 5 2PZ 0.00018 -0.00001 -0.00001 0.00000 0.00000 6 3S -0.00126 -0.00042 -0.00028 -0.00368 -0.00010 7 3PX 0.02161 0.00910 0.00773 -0.00200 -0.00004 8 3PY -0.00794 0.02484 0.02102 -0.00154 0.00000 9 3PZ 0.00001 0.00000 0.00000 0.00000 0.00000 10 4S -0.00018 -0.00026 -0.00073 -0.00253 0.00151 11 4PX -0.00422 -0.00169 -0.00016 0.00129 -0.00069 12 4PY 0.00154 -0.00509 -0.00205 -0.00010 0.00029 13 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 14 5XX -0.00027 0.00104 0.00093 0.00081 0.00000 15 5YY 0.00230 -0.00086 -0.00088 0.00078 -0.00004 16 5ZZ 0.00022 0.00007 0.00004 0.00068 -0.00004 17 5XY 0.00172 0.00111 0.00103 0.00019 0.00000 18 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 19 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 20 2 Al 1S 0.00094 0.00006 -0.00007 0.00001 0.00023 21 2S -0.00399 -0.00028 0.00033 -0.00008 -0.00131 22 2PX 0.67011 -0.22529 0.26062 0.00023 0.00891 23 2PY -0.24789 -0.60742 0.70459 0.00019 0.00714 24 2PZ 0.00021 0.00000 -0.00001 0.00000 0.00000 25 3S 0.00139 -0.00037 0.00034 -0.00030 -0.00367 26 3PX 0.02248 -0.00786 0.00898 0.00015 0.00199 27 3PY -0.00826 -0.02149 0.02444 0.00009 0.00154 28 3PZ 0.00001 0.00000 0.00000 0.00000 0.00000 29 4S 0.00018 -0.00015 0.00077 0.00136 -0.00261 30 4PX -0.00438 0.00165 -0.00041 0.00061 -0.00133 31 4PY 0.00161 0.00473 -0.00278 -0.00028 0.00012 32 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 33 5XX 0.00026 0.00089 -0.00108 0.00005 0.00081 34 5YY -0.00238 -0.00072 0.00100 0.00001 0.00078 35 5ZZ -0.00021 0.00007 -0.00005 0.00000 0.00068 36 5XY -0.00178 0.00094 -0.00119 0.00001 0.00019 37 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 38 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 39 3 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 40 2S -0.00001 -0.00001 0.00000 -0.00003 -0.00003 41 2PX 0.00023 0.00000 -0.00005 0.00000 0.00000 42 2PY -0.00009 -0.00001 -0.00011 -0.00001 0.00001 43 2PZ -0.00001 -0.00001 0.00000 -0.00001 -0.00001 44 3S 0.00003 0.00003 0.00000 -0.00006 -0.00005 45 3PX 0.00017 0.00001 0.00014 0.00000 0.00000 46 3PY -0.00006 0.00003 0.00039 0.00007 -0.00008 47 3PZ 0.00001 0.00004 0.00000 0.00005 0.00005 48 4S -0.00010 0.00005 0.00000 0.00061 0.00058 49 4PX 0.00156 -0.00005 -0.00073 0.00040 -0.00042 50 4PY -0.00065 -0.00015 -0.00207 -0.00022 0.00023 51 4PZ -0.00009 -0.00011 0.00001 0.00007 0.00007 52 5XX 0.00001 -0.00019 0.00001 0.00000 0.00000 53 5YY 0.00001 0.00020 -0.00002 -0.00005 -0.00005 54 5ZZ 0.00000 0.00000 0.00000 -0.00004 -0.00004 55 5XY 0.00000 -0.00024 0.00002 0.00001 0.00001 56 5XZ 0.00013 -0.00001 -0.00015 0.00004 -0.00004 57 5YZ -0.00006 -0.00003 -0.00037 0.00002 -0.00002 58 4 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 59 2S -0.00001 -0.00001 0.00000 -0.00003 -0.00003 60 2PX 0.00023 0.00000 -0.00005 0.00000 0.00000 61 2PY -0.00009 -0.00001 -0.00011 -0.00001 0.00001 62 2PZ 0.00001 0.00001 0.00000 0.00001 0.00001 63 3S 0.00003 0.00003 0.00000 -0.00006 -0.00005 64 3PX 0.00017 0.00001 0.00014 0.00000 0.00000 65 3PY -0.00006 0.00003 0.00039 0.00007 -0.00008 66 3PZ -0.00001 -0.00004 0.00000 -0.00005 -0.00005 67 4S -0.00010 0.00005 0.00000 0.00061 0.00058 68 4PX 0.00156 -0.00005 -0.00073 0.00040 -0.00042 69 4PY -0.00065 -0.00015 -0.00207 -0.00022 0.00023 70 4PZ 0.00009 0.00011 -0.00001 -0.00007 -0.00007 71 5XX 0.00001 -0.00019 0.00001 0.00000 0.00000 72 5YY 0.00001 0.00020 -0.00002 -0.00005 -0.00005 73 5ZZ 0.00000 0.00000 0.00000 -0.00004 -0.00004 74 5XY 0.00000 -0.00024 0.00002 0.00001 0.00001 75 5XZ -0.00013 0.00001 0.00015 -0.00004 0.00004 76 5YZ 0.00006 0.00003 0.00037 -0.00002 0.00002 77 5 Cl 1S 0.00007 -0.00018 -0.00016 0.00000 0.00000 78 2S -0.00038 0.00075 0.00063 -0.00004 0.00001 79 2PX -0.00007 -0.00016 -0.00012 -0.00002 0.00000 80 2PY -0.00038 0.00091 0.00076 -0.00001 0.00000 81 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 3S 0.00020 -0.00075 -0.00074 -0.00010 0.00002 83 3PX 0.00019 0.00032 0.00016 0.00010 -0.00002 84 3PY 0.00039 -0.00130 -0.00100 0.00000 0.00000 85 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 86 4S -0.00078 0.00347 0.00400 0.00077 -0.00019 87 4PX -0.00073 -0.00108 -0.00076 -0.00015 0.00010 88 4PY -0.00147 0.00398 0.00324 0.00020 -0.00007 89 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 5XX -0.00009 0.00006 0.00003 -0.00008 0.00001 91 5YY 0.00019 -0.00095 -0.00086 -0.00006 0.00001 92 5ZZ -0.00013 0.00005 0.00005 -0.00006 0.00001 93 5XY -0.00013 0.00004 0.00005 0.00006 0.00000 94 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 6 Cl 1S -0.00008 -0.00015 0.00018 0.00000 0.00000 97 2S 0.00039 0.00065 -0.00073 0.00001 -0.00005 98 2PX -0.00007 0.00014 -0.00014 0.00000 0.00002 99 2PY -0.00039 -0.00078 0.00088 0.00000 0.00001 100 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 3S -0.00022 -0.00063 0.00084 0.00002 -0.00010 102 3PX 0.00018 -0.00029 0.00020 0.00001 -0.00010 103 3PY 0.00042 0.00114 -0.00118 0.00000 0.00000 104 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4S 0.00085 0.00285 -0.00446 -0.00014 0.00077 106 4PX -0.00073 0.00095 -0.00091 -0.00009 0.00016 107 4PY -0.00155 -0.00346 0.00379 0.00006 -0.00020 108 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 109 5XX 0.00009 0.00005 -0.00004 0.00001 -0.00008 110 5YY -0.00020 -0.00082 0.00099 0.00001 -0.00006 111 5ZZ 0.00013 0.00004 -0.00006 0.00001 -0.00006 112 5XY 0.00014 0.00003 -0.00006 0.00001 0.00006 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 7 Br 1S -0.00005 -0.00008 -0.00007 -0.00030 0.00001 116 2S 0.00025 0.00052 0.00045 0.00186 -0.00005 117 3S -0.00017 -0.00062 -0.00056 -0.00209 0.00006 118 4S -0.00052 -0.00074 -0.00063 -0.00314 0.00009 119 5S 0.00012 0.00185 0.00209 -0.00135 0.00007 120 6S -0.00003 -0.00518 -0.00621 0.00815 -0.00033 121 7PX -0.00010 -0.00026 -0.00021 -0.00076 0.00002 122 7PY -0.00012 -0.00018 -0.00015 -0.00061 0.00002 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00027 0.00075 0.00061 0.00201 -0.00006 125 8PY 0.00035 0.00051 0.00044 0.00163 -0.00005 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX 0.00000 -0.00077 -0.00050 -0.00044 0.00001 128 9PY -0.00029 -0.00042 -0.00037 -0.00046 0.00002 129 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 10PX 0.00072 0.00316 0.00253 -0.00292 0.00014 131 10PY 0.00156 0.00183 0.00161 -0.00204 0.00003 132 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 11XX 0.00061 0.00339 0.00293 0.42342 -0.01197 134 11YY 0.00114 0.00019 0.00018 0.08913 -0.00250 135 11ZZ -0.00166 -0.00282 -0.00242 -0.50981 0.01439 136 11XY 0.00308 0.00502 0.00433 0.83154 -0.02353 137 11XZ 0.00000 0.00000 0.00000 0.00003 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00002 0.00000 139 12XX 0.00009 0.00046 0.00071 0.00861 -0.00024 140 12YY -0.00074 0.00117 0.00117 0.00060 -0.00001 141 12ZZ -0.00032 0.00086 0.00085 -0.01354 0.00036 142 12XY -0.00024 0.00010 0.00014 0.01975 -0.00056 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00005 -0.00007 0.00008 -0.00001 -0.00030 146 2S -0.00026 0.00045 -0.00053 0.00005 0.00186 147 3S 0.00019 -0.00054 0.00064 -0.00005 -0.00209 148 4S 0.00053 -0.00064 0.00073 -0.00009 -0.00314 149 5S -0.00018 0.00152 -0.00234 -0.00001 -0.00135 150 6S 0.00022 -0.00421 0.00690 0.00013 0.00815 151 7PX -0.00010 0.00023 -0.00025 0.00002 0.00076 152 7PY -0.00013 0.00015 -0.00018 0.00002 0.00061 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00029 -0.00065 0.00072 -0.00006 -0.00201 155 8PY 0.00037 -0.00044 0.00051 -0.00005 -0.00163 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX -0.00002 0.00069 -0.00061 0.00001 0.00044 158 9PY -0.00030 0.00036 -0.00042 0.00001 0.00046 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX 0.00079 -0.00276 0.00297 0.00003 0.00292 161 10PY 0.00162 -0.00157 0.00186 0.00009 0.00204 162 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 11XX -0.00064 0.00292 -0.00340 0.01197 0.42325 164 11YY -0.00120 0.00016 -0.00020 0.00254 0.08930 165 11ZZ 0.00171 -0.00243 0.00280 -0.01445 -0.50980 166 11XY -0.00320 0.00433 -0.00502 0.02350 0.83159 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00003 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00002 169 12XX -0.00014 0.00035 -0.00077 0.00025 0.00860 170 12YY 0.00072 0.00098 -0.00133 0.00003 0.00060 171 12ZZ 0.00028 0.00073 -0.00097 -0.00040 -0.01354 172 12XY 0.00025 0.00008 -0.00015 0.00056 0.01975 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 51 52 53 54 55 O O O O O Eigenvalues -- -2.66376 -2.66375 -2.66356 -2.66356 -2.65828 1 1 Al 1S 0.00000 0.00000 0.00001 0.00000 0.00000 2 2S 0.00000 0.00000 0.00016 -0.00008 0.00000 3 2PX 0.00000 0.00000 0.00114 0.00020 0.00000 4 2PY 0.00000 0.00000 -0.00142 -0.00021 0.00000 5 2PZ 0.00187 -0.00012 0.00000 0.00000 0.00000 6 3S 0.00000 0.00000 0.00111 -0.00035 0.00000 7 3PX 0.00000 0.00000 0.00040 0.00008 0.00000 8 3PY 0.00000 0.00000 -0.00082 -0.00015 0.00000 9 3PZ 0.00074 0.00006 0.00000 0.00000 0.00014 10 4S 0.00000 0.00000 -0.00440 0.00246 0.00000 11 4PX 0.00000 0.00000 0.00313 -0.00118 0.00000 12 4PY 0.00000 0.00000 -0.00268 -0.00004 0.00000 13 4PZ 0.00149 0.00008 0.00000 0.00000 0.00031 14 5XX 0.00000 0.00000 0.00026 0.00003 0.00000 15 5YY 0.00000 0.00000 -0.00030 -0.00007 0.00000 16 5ZZ 0.00000 0.00000 -0.00018 -0.00019 0.00000 17 5XY 0.00000 0.00000 -0.00015 -0.00001 0.00000 18 5XZ 0.00028 -0.00006 0.00000 0.00000 0.00005 19 5YZ 0.00039 -0.00003 0.00000 0.00000 -0.00009 20 2 Al 1S 0.00000 0.00000 0.00000 0.00001 0.00000 21 2S 0.00000 0.00000 -0.00012 0.00013 0.00000 22 2PX 0.00000 0.00000 0.00014 -0.00115 0.00000 23 2PY 0.00000 0.00000 -0.00021 0.00142 0.00000 24 2PZ -0.00009 -0.00187 0.00000 0.00000 -0.00001 25 3S 0.00000 0.00000 -0.00065 0.00096 0.00000 26 3PX 0.00000 0.00000 0.00004 -0.00041 0.00000 27 3PY 0.00000 0.00000 -0.00009 0.00083 0.00000 28 3PZ -0.00014 -0.00073 0.00000 0.00000 0.00001 29 4S 0.00000 0.00000 0.00362 -0.00350 0.00000 30 4PX 0.00000 0.00000 0.00203 -0.00265 0.00000 31 4PY 0.00000 0.00000 -0.00073 0.00258 0.00000 32 4PZ -0.00024 -0.00148 0.00000 0.00000 -0.00030 33 5XX 0.00000 0.00000 -0.00004 0.00026 0.00000 34 5YY 0.00000 0.00000 0.00002 -0.00031 0.00000 35 5ZZ 0.00000 0.00000 -0.00013 -0.00022 0.00000 36 5XY 0.00000 0.00000 0.00003 -0.00015 0.00000 37 5XZ -0.00003 0.00028 0.00000 0.00000 0.00001 38 5YZ 0.00002 0.00039 0.00000 0.00000 0.00002 39 3 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 40 2S -0.00003 0.00003 -0.00005 -0.00007 -0.00001 41 2PX -0.00001 -0.00001 0.00001 0.00000 0.00003 42 2PY -0.00002 -0.00002 -0.00001 0.00000 0.00001 43 2PZ -0.00002 0.00002 0.00000 0.00000 0.00001 44 3S -0.00008 0.00009 -0.00016 -0.00022 -0.00007 45 3PX 0.00000 0.00000 -0.00006 0.00004 -0.00015 46 3PY 0.00010 0.00009 0.00002 -0.00002 -0.00003 47 3PZ 0.00008 -0.00009 -0.00002 -0.00002 -0.00005 48 4S 0.00068 -0.00077 0.00115 0.00155 0.00018 49 4PX 0.00037 0.00033 0.00079 -0.00059 0.00036 50 4PY -0.00030 -0.00027 -0.00007 0.00006 0.00001 51 4PZ -0.00010 0.00011 0.00037 0.00050 0.00010 52 5XX -0.00001 0.00001 -0.00006 -0.00008 -0.00003 53 5YY -0.00005 0.00005 -0.00009 -0.00012 -0.00002 54 5ZZ -0.00006 0.00007 -0.00005 -0.00007 -0.00002 55 5XY 0.00000 0.00000 0.00002 0.00003 0.00000 56 5XZ 0.00003 0.00002 0.00005 -0.00004 0.00000 57 5YZ 0.00000 0.00000 0.00001 -0.00001 0.00000 58 4 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 59 2S 0.00003 -0.00003 -0.00005 -0.00007 0.00001 60 2PX 0.00001 0.00001 0.00001 0.00000 -0.00003 61 2PY 0.00002 0.00002 -0.00001 0.00000 -0.00001 62 2PZ -0.00002 0.00002 0.00000 0.00000 0.00001 63 3S 0.00008 -0.00009 -0.00016 -0.00022 0.00007 64 3PX 0.00000 0.00000 -0.00006 0.00004 0.00015 65 3PY -0.00010 -0.00009 0.00002 -0.00002 0.00003 66 3PZ 0.00008 -0.00009 0.00002 0.00002 -0.00005 67 4S -0.00069 0.00077 0.00115 0.00155 -0.00018 68 4PX -0.00037 -0.00033 0.00079 -0.00059 -0.00036 69 4PY 0.00030 0.00027 -0.00007 0.00006 -0.00001 70 4PZ -0.00010 0.00011 -0.00037 -0.00050 0.00010 71 5XX 0.00001 -0.00001 -0.00006 -0.00008 0.00003 72 5YY 0.00005 -0.00005 -0.00009 -0.00012 0.00002 73 5ZZ 0.00006 -0.00007 -0.00005 -0.00007 0.00002 74 5XY 0.00000 0.00000 0.00002 0.00003 0.00000 75 5XZ 0.00003 0.00002 -0.00005 0.00004 0.00000 76 5YZ 0.00000 0.00000 -0.00001 0.00001 0.00000 77 5 Cl 1S 0.00000 0.00000 0.00001 0.00000 0.00000 78 2S 0.00000 0.00000 0.00006 0.00002 0.00000 79 2PX 0.00000 0.00000 -0.00002 0.00000 0.00000 80 2PY 0.00000 0.00000 0.00001 0.00000 0.00000 81 2PZ -0.00003 0.00000 0.00000 0.00000 0.00000 82 3S 0.00000 0.00000 0.00020 0.00007 0.00000 83 3PX 0.00000 0.00000 0.00014 0.00001 0.00000 84 3PY 0.00000 0.00000 -0.00003 0.00000 0.00000 85 3PZ 0.00018 -0.00002 0.00000 0.00000 0.00001 86 4S 0.00000 0.00000 -0.00131 -0.00057 0.00000 87 4PX 0.00000 0.00000 -0.00066 0.00004 0.00000 88 4PY 0.00000 0.00000 -0.00026 -0.00015 0.00000 89 4PZ -0.00057 0.00003 0.00000 0.00000 -0.00010 90 5XX 0.00000 0.00000 0.00011 0.00004 0.00000 91 5YY 0.00000 0.00000 0.00006 0.00003 0.00000 92 5ZZ 0.00000 0.00000 0.00012 0.00002 0.00000 93 5XY 0.00000 0.00000 -0.00006 0.00000 0.00000 94 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 5YZ -0.00003 0.00000 0.00000 0.00000 -0.00002 96 6 Cl 1S 0.00000 0.00000 0.00000 0.00001 0.00000 97 2S 0.00000 0.00000 0.00000 0.00006 0.00000 98 2PX 0.00000 0.00000 0.00000 0.00002 0.00000 99 2PY 0.00000 0.00000 0.00000 -0.00001 0.00000 100 2PZ 0.00000 0.00003 0.00000 0.00000 0.00001 101 3S 0.00000 0.00000 0.00001 0.00022 0.00000 102 3PX 0.00000 0.00000 0.00003 -0.00013 0.00000 103 3PY 0.00000 0.00000 -0.00001 0.00003 0.00000 104 3PZ 0.00000 -0.00018 0.00000 0.00000 -0.00003 105 4S 0.00000 0.00000 -0.00017 -0.00142 0.00000 106 4PX 0.00000 0.00000 -0.00023 0.00062 0.00000 107 4PY 0.00000 0.00000 0.00006 0.00029 0.00000 108 4PZ 0.00004 0.00057 0.00000 0.00000 0.00010 109 5XX 0.00000 0.00000 0.00000 0.00012 0.00000 110 5YY 0.00000 0.00000 0.00001 0.00007 0.00000 111 5ZZ 0.00000 0.00000 -0.00001 0.00012 0.00000 112 5XY 0.00000 0.00000 0.00002 -0.00006 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 -0.00003 0.00000 0.00000 0.00000 115 7 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00000 0.00000 0.00000 0.00000 0.00000 117 3S 0.00000 0.00000 0.00005 0.00002 0.00000 118 4S 0.00000 0.00000 -0.00007 -0.00001 0.00000 119 5S 0.00000 0.00000 -0.00079 -0.00011 0.00000 120 6S 0.00000 0.00000 0.00238 0.00034 0.00000 121 7PX 0.00000 0.00000 -0.00045 -0.00007 0.00000 122 7PY 0.00000 0.00000 0.00057 0.00009 0.00000 123 7PZ -0.00074 0.00004 0.00000 0.00000 0.00001 124 8PX 0.00000 0.00000 0.00118 0.00018 0.00000 125 8PY 0.00000 0.00000 -0.00148 -0.00023 0.00000 126 8PZ 0.00195 -0.00011 0.00000 0.00000 -0.00002 127 9PX 0.00000 0.00000 -0.00009 -0.00005 0.00000 128 9PY 0.00000 0.00000 0.00025 0.00008 0.00000 129 9PZ -0.00046 0.00003 0.00000 0.00000 0.00004 130 10PX 0.00000 0.00000 -0.00146 -0.00002 0.00000 131 10PY 0.00000 0.00000 0.00099 0.00004 0.00000 132 10PZ -0.00105 0.00002 0.00000 0.00000 -0.00008 133 11XX -0.00020 0.00001 0.83214 0.12274 0.00012 134 11YY 0.00016 -0.00001 -0.82850 -0.12216 0.00015 135 11ZZ 0.00003 0.00000 -0.00375 -0.00061 -0.00026 136 11XY 0.00003 0.00000 -0.22483 -0.03318 -0.00015 137 11XZ 0.78206 -0.04321 0.00017 0.00003 -0.61305 138 11YZ 0.61343 -0.03387 0.00011 0.00002 0.78157 139 12XX 0.00000 0.00000 0.01829 0.00266 0.00000 140 12YY 0.00000 0.00000 -0.01909 -0.00281 0.00000 141 12ZZ 0.00000 0.00000 -0.00055 -0.00012 -0.00001 142 12XY 0.00000 0.00000 -0.00500 -0.00074 0.00000 143 12XZ 0.01751 -0.00097 0.00000 0.00000 -0.01301 144 12YZ 0.01374 -0.00075 0.00000 0.00000 0.01662 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3S 0.00000 0.00000 0.00000 0.00006 0.00000 148 4S 0.00000 0.00000 0.00001 -0.00007 0.00000 149 5S 0.00000 0.00000 0.00012 -0.00079 0.00000 150 6S 0.00000 0.00000 -0.00036 0.00238 0.00000 151 7PX 0.00000 0.00000 -0.00007 0.00045 0.00000 152 7PY 0.00000 0.00000 0.00008 -0.00057 0.00000 153 7PZ 0.00004 0.00074 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00017 -0.00119 0.00000 155 8PY 0.00000 0.00000 -0.00021 0.00149 0.00000 156 8PZ -0.00011 -0.00195 0.00000 0.00000 0.00000 157 9PX 0.00000 0.00000 0.00002 0.00010 0.00000 158 9PY 0.00000 0.00000 0.00000 -0.00026 0.00000 159 9PZ 0.00002 0.00046 0.00000 0.00000 -0.00002 160 10PX 0.00000 0.00000 -0.00040 0.00140 0.00000 161 10PY 0.00000 0.00000 0.00025 -0.00096 0.00000 162 10PZ 0.00009 0.00105 0.00000 0.00000 0.00008 163 11XX -0.00001 -0.00018 -0.12271 0.83219 0.00000 164 11YY 0.00001 0.00014 0.12221 -0.82854 0.00000 165 11ZZ 0.00000 0.00004 0.00050 -0.00377 -0.00001 166 11XY 0.00000 0.00002 0.03310 -0.22461 -0.00001 167 11XZ 0.04318 0.78199 -0.00002 0.00016 -0.04223 168 11YZ 0.03390 0.61352 -0.00001 0.00010 0.05380 169 12XX 0.00000 0.00000 -0.00273 0.01828 0.00000 170 12YY 0.00000 0.00000 0.00282 -0.01908 0.00000 171 12ZZ 0.00000 0.00000 0.00004 -0.00056 0.00000 172 12XY 0.00000 0.00000 0.00073 -0.00499 0.00000 173 12XZ 0.00097 0.01751 0.00000 0.00000 -0.00089 174 12YZ 0.00077 0.01374 0.00000 0.00000 0.00116 56 57 58 59 60 O O O O O Eigenvalues -- -2.65828 -2.65827 -2.65827 -0.90344 -0.88087 1 1 Al 1S 0.00000 0.00001 -0.00001 0.01059 0.00000 2 2S 0.00000 0.00002 -0.00005 -0.05006 0.00000 3 2PX 0.00000 -0.00013 -0.00003 0.02732 0.00000 4 2PY 0.00000 -0.00012 -0.00001 -0.00892 0.00000 5 2PZ 0.00000 0.00000 0.00000 0.00001 -0.02960 6 3S 0.00000 0.00028 -0.00055 0.09447 0.00000 7 3PX 0.00000 -0.00007 0.00009 -0.05356 0.00000 8 3PY 0.00000 0.00003 -0.00005 0.01618 0.00000 9 3PZ -0.00002 0.00000 0.00000 -0.00001 0.05190 10 4S 0.00000 -0.00189 0.00178 -0.02108 0.00000 11 4PX 0.00000 0.00081 -0.00136 0.01528 0.00000 12 4PY 0.00000 -0.00057 -0.00019 -0.00228 0.00000 13 4PZ 0.00026 0.00000 0.00000 0.00000 -0.01240 14 5XX 0.00000 0.00003 0.00005 0.00720 0.00000 15 5YY 0.00000 0.00008 0.00011 -0.00987 0.00000 16 5ZZ 0.00000 -0.00013 0.00006 0.00589 0.00000 17 5XY 0.00000 -0.00009 -0.00003 -0.01170 0.00000 18 5XZ 0.00000 0.00000 0.00000 0.00000 -0.02572 19 5YZ 0.00003 0.00000 0.00000 0.00000 0.01029 20 2 Al 1S 0.00000 -0.00001 0.00001 0.01059 0.00000 21 2S 0.00000 -0.00005 0.00002 -0.05006 -0.00001 22 2PX 0.00000 0.00001 0.00013 -0.02732 -0.00001 23 2PY 0.00000 -0.00001 0.00012 0.00892 0.00000 24 2PZ 0.00000 0.00000 0.00000 0.00000 -0.02960 25 3S 0.00000 -0.00059 0.00020 0.09447 0.00002 26 3PX 0.00000 -0.00009 0.00006 0.05357 0.00001 27 3PY 0.00000 0.00006 -0.00002 -0.01618 0.00000 28 3PZ -0.00014 0.00000 0.00000 0.00000 0.05190 29 4S 0.00000 0.00202 -0.00163 -0.02108 -0.00001 30 4PX 0.00000 0.00146 -0.00061 -0.01528 0.00000 31 4PY 0.00000 0.00011 0.00059 0.00228 0.00000 32 4PZ -0.00027 0.00000 0.00000 0.00000 -0.01240 33 5XX 0.00000 0.00005 0.00004 0.00720 0.00000 34 5YY 0.00000 0.00010 0.00010 -0.00987 0.00000 35 5ZZ 0.00000 0.00008 -0.00012 0.00589 0.00000 36 5XY 0.00000 -0.00002 -0.00009 -0.01170 0.00000 37 5XZ 0.00005 0.00000 0.00000 0.00000 0.02572 38 5YZ -0.00009 0.00000 0.00000 0.00000 -0.01029 39 3 Cl 1S 0.00000 0.00000 0.00000 0.05647 -0.05997 40 2S 0.00001 0.00001 0.00001 -0.25545 0.27066 41 2PX 0.00003 0.00000 0.00000 0.00000 0.00000 42 2PY 0.00001 -0.00001 0.00001 0.00000 0.00000 43 2PZ -0.00001 0.00000 0.00000 -0.02341 0.01542 44 3S 0.00008 0.00004 0.00004 0.50347 -0.53997 45 3PX -0.00013 -0.00003 0.00003 0.00000 0.00000 46 3PY -0.00002 0.00005 -0.00004 0.00000 0.00000 47 3PZ 0.00006 0.00000 0.00000 0.05586 -0.03785 48 4S -0.00021 -0.00020 -0.00023 0.21480 -0.22605 49 4PX 0.00031 0.00030 -0.00027 0.00000 0.00000 50 4PY 0.00001 -0.00024 0.00021 0.00000 0.00000 51 4PZ -0.00012 -0.00003 -0.00004 0.01272 -0.01072 52 5XX 0.00003 0.00003 0.00003 -0.00135 0.00058 53 5YY 0.00003 0.00001 0.00001 -0.01014 0.00910 54 5ZZ 0.00003 0.00001 0.00001 0.00342 -0.00014 55 5XY 0.00000 0.00000 0.00000 -0.00484 0.00465 56 5XZ 0.00000 0.00001 -0.00001 0.00000 0.00000 57 5YZ 0.00000 -0.00001 0.00001 0.00000 0.00000 58 4 Cl 1S 0.00000 0.00000 0.00000 0.05646 0.05998 59 2S -0.00001 0.00001 0.00001 -0.25541 -0.27070 60 2PX -0.00003 0.00000 0.00000 0.00000 0.00000 61 2PY -0.00001 -0.00001 0.00001 0.00000 0.00000 62 2PZ -0.00001 0.00000 0.00000 0.02341 0.01542 63 3S -0.00008 0.00004 0.00004 0.50338 0.54006 64 3PX 0.00013 -0.00003 0.00003 0.00000 -0.00001 65 3PY 0.00002 0.00005 -0.00004 0.00000 0.00000 66 3PZ 0.00006 0.00000 0.00000 -0.05585 -0.03786 67 4S 0.00021 -0.00020 -0.00023 0.21476 0.22609 68 4PX -0.00031 0.00030 -0.00027 0.00000 0.00000 69 4PY -0.00001 -0.00024 0.00021 0.00000 0.00000 70 4PZ -0.00012 0.00003 0.00004 -0.01272 -0.01072 71 5XX -0.00003 0.00003 0.00003 -0.00135 -0.00058 72 5YY -0.00003 0.00001 0.00001 -0.01014 -0.00910 73 5ZZ -0.00003 0.00001 0.00001 0.00342 0.00014 74 5XY 0.00000 0.00000 0.00000 -0.00484 -0.00465 75 5XZ 0.00000 -0.00001 0.00001 0.00000 0.00000 76 5YZ 0.00000 0.00001 -0.00001 0.00000 0.00000 77 5 Cl 1S 0.00000 0.00000 0.00000 0.00636 0.00000 78 2S 0.00000 -0.00001 0.00003 -0.02914 0.00000 79 2PX 0.00000 0.00000 0.00002 0.00142 0.00000 80 2PY 0.00000 0.00002 0.00000 -0.00518 0.00000 81 2PZ -0.00001 0.00000 0.00000 0.00000 -0.00116 82 3S 0.00000 -0.00005 0.00013 0.05457 0.00000 83 3PX 0.00000 0.00000 -0.00009 -0.00291 0.00000 84 3PY 0.00000 -0.00008 0.00001 0.01257 0.00000 85 3PZ 0.00003 0.00000 0.00000 0.00000 0.00255 86 4S 0.00000 0.00021 -0.00070 0.02840 0.00000 87 4PX 0.00000 -0.00010 0.00035 -0.00271 0.00000 88 4PY 0.00000 0.00018 -0.00017 0.00396 0.00000 89 4PZ -0.00009 0.00000 0.00000 0.00000 0.00071 90 5XX 0.00000 -0.00002 0.00005 -0.00146 0.00000 91 5YY 0.00000 -0.00003 0.00004 0.00280 0.00000 92 5ZZ 0.00000 -0.00002 0.00005 -0.00158 0.00000 93 5XY 0.00000 -0.00001 0.00002 -0.00110 0.00000 94 5XZ 0.00000 0.00000 0.00000 0.00000 -0.00034 95 5YZ 0.00000 0.00000 0.00000 0.00000 0.00061 96 6 Cl 1S 0.00000 0.00000 0.00000 0.00636 0.00000 97 2S 0.00000 0.00003 0.00000 -0.02914 -0.00001 98 2PX 0.00000 -0.00002 0.00000 -0.00142 0.00000 99 2PY 0.00000 0.00000 -0.00002 0.00518 0.00000 100 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00116 101 3S 0.00000 0.00013 -0.00004 0.05457 0.00001 102 3PX 0.00000 0.00009 0.00001 0.00291 0.00000 103 3PY 0.00000 -0.00002 0.00008 -0.01257 0.00000 104 3PZ -0.00001 0.00000 0.00000 0.00000 0.00255 105 4S 0.00000 -0.00072 0.00011 0.02840 0.00001 106 4PX 0.00000 -0.00036 0.00005 0.00271 0.00000 107 4PY 0.00000 0.00020 -0.00016 -0.00396 0.00000 108 4PZ 0.00008 0.00000 0.00000 0.00000 0.00071 109 5XX 0.00000 0.00005 -0.00001 -0.00146 0.00000 110 5YY 0.00000 0.00004 -0.00003 0.00280 0.00000 111 5ZZ 0.00000 0.00005 -0.00001 -0.00158 0.00000 112 5XY 0.00000 0.00002 -0.00001 -0.00110 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00034 114 5YZ -0.00002 0.00000 0.00000 0.00000 -0.00061 115 7 Br 1S 0.00000 -0.00001 0.00000 -0.00213 0.00000 116 2S 0.00000 0.00008 0.00000 0.01383 0.00000 117 3S 0.00000 -0.00008 0.00003 -0.01617 0.00000 118 4S 0.00000 -0.00013 -0.00002 -0.02785 0.00000 119 5S 0.00000 -0.00029 -0.00025 0.02145 0.00000 120 6S 0.00000 0.00101 0.00084 0.01606 0.00000 121 7PX 0.00000 -0.00001 0.00000 -0.00140 0.00000 122 7PY 0.00000 -0.00001 0.00000 -0.00076 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00039 124 8PX 0.00000 0.00002 0.00001 0.00426 0.00000 125 8PY 0.00000 0.00003 -0.00001 0.00233 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 -0.00116 127 9PX 0.00000 0.00005 -0.00004 -0.00692 0.00000 128 9PY 0.00000 -0.00003 0.00004 -0.00442 0.00000 129 9PZ 0.00002 0.00000 0.00000 0.00000 0.00173 130 10PX 0.00000 -0.00028 0.00010 -0.00700 0.00000 131 10PY 0.00000 -0.00003 -0.00013 -0.00274 0.00000 132 10PZ -0.00007 0.00000 0.00000 0.00000 0.00123 133 11XX -0.00001 -0.32262 -0.02233 0.00637 0.00000 134 11YY -0.00002 -0.52970 -0.03681 0.00751 0.00000 135 11ZZ 0.00004 0.85241 0.05908 0.00802 0.00000 136 11XY 0.00002 0.49575 0.03440 -0.00112 0.00000 137 11XZ 0.04220 -0.00020 -0.00001 0.00000 0.00044 138 11YZ -0.05383 0.00023 0.00001 0.00000 0.00018 139 12XX 0.00000 -0.00700 -0.00067 0.00561 0.00000 140 12YY 0.00000 -0.01145 -0.00093 0.00389 0.00000 141 12ZZ 0.00000 0.01793 0.00108 0.00141 0.00000 142 12XY 0.00000 0.01058 0.00073 0.00352 0.00000 143 12XZ 0.00090 0.00000 0.00000 0.00000 0.00003 144 12YZ -0.00113 0.00000 0.00000 0.00000 -0.00009 145 8 Br 1S 0.00000 0.00000 -0.00001 -0.00213 0.00000 146 2S 0.00000 -0.00001 0.00007 0.01383 0.00000 147 3S 0.00000 0.00004 -0.00007 -0.01617 0.00000 148 4S 0.00000 -0.00001 -0.00014 -0.02785 -0.00001 149 5S 0.00000 -0.00021 -0.00032 0.02145 0.00000 150 6S 0.00000 0.00069 0.00111 0.01606 0.00000 151 7PX 0.00000 0.00000 0.00001 0.00140 0.00000 152 7PY 0.00000 0.00000 0.00001 0.00076 0.00000 153 7PZ -0.00001 0.00000 0.00000 0.00000 0.00039 154 8PX 0.00000 -0.00001 -0.00002 -0.00426 0.00000 155 8PY 0.00000 0.00001 -0.00003 -0.00233 0.00000 156 8PZ 0.00002 0.00000 0.00000 0.00000 -0.00116 157 9PX 0.00000 0.00004 -0.00005 0.00692 0.00000 158 9PY 0.00000 -0.00004 0.00003 0.00442 0.00000 159 9PZ -0.00004 0.00000 0.00000 0.00000 0.00173 160 10PX 0.00000 -0.00014 0.00027 0.00700 0.00000 161 10PY 0.00000 0.00013 0.00005 0.00274 0.00000 162 10PZ 0.00007 0.00000 0.00000 0.00000 0.00123 163 11XX 0.00013 0.02242 -0.32271 0.00637 0.00000 164 11YY 0.00015 0.03666 -0.52961 0.00751 0.00000 165 11ZZ -0.00028 -0.05916 0.85240 0.00802 0.00000 166 11XY -0.00016 -0.03437 0.49578 -0.00112 0.00000 167 11XZ -0.61314 0.00003 -0.00022 0.00000 -0.00044 168 11YZ 0.78150 -0.00003 0.00024 0.00000 -0.00018 169 12XX 0.00000 0.00030 -0.00703 0.00561 0.00000 170 12YY 0.00000 0.00066 -0.01147 0.00388 0.00000 171 12ZZ -0.00001 -0.00140 0.01790 0.00140 0.00000 172 12XY 0.00000 -0.00074 0.01058 0.00352 0.00000 173 12XZ -0.01302 0.00000 0.00000 0.00000 -0.00003 174 12YZ 0.01662 0.00000 0.00001 0.00000 0.00009 61 62 63 64 65 O O O O O Eigenvalues -- -0.83154 -0.82967 -0.78312 -0.78211 -0.50476 1 1 Al 1S 0.00915 0.00716 -0.00732 -0.00634 0.02869 2 2S -0.04276 -0.03410 0.03512 0.03109 -0.13417 3 2PX -0.00474 -0.00909 0.02354 0.02647 0.02202 4 2PY 0.03215 0.03436 0.02452 0.02235 -0.00500 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.00001 6 3S 0.09145 0.06963 -0.06935 -0.05690 0.34061 7 3PX 0.00575 0.01573 -0.04031 -0.04829 -0.06098 8 3PY -0.06045 -0.06545 -0.04558 -0.04067 0.01036 9 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00002 10 4S -0.02400 -0.00674 -0.00996 -0.02049 -0.00652 11 4PX 0.00637 0.00029 -0.01315 -0.01019 0.00858 12 4PY 0.00506 0.01647 -0.00719 -0.01798 -0.00478 13 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 14 5XX -0.01401 -0.01515 -0.00779 -0.00752 -0.01496 15 5YY 0.02212 0.02443 0.00299 0.00107 -0.01621 16 5ZZ -0.01390 -0.01627 0.00932 0.01148 0.01241 17 5XY -0.00286 -0.00126 -0.01721 -0.01884 -0.00485 18 5XZ 0.00000 0.00000 0.00000 0.00000 0.00001 19 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 20 2 Al 1S -0.00915 0.00716 0.00731 -0.00635 -0.02869 21 2S 0.04275 -0.03411 -0.03507 0.03114 0.13417 22 2PX -0.00474 0.00909 0.02350 -0.02650 0.02202 23 2PY 0.03214 -0.03437 0.02449 -0.02239 -0.00499 24 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 25 3S -0.09142 0.06967 0.06926 -0.05700 -0.34061 26 3PX 0.00575 -0.01574 -0.04023 0.04835 -0.06099 27 3PY -0.06042 0.06547 -0.04552 0.04074 0.01035 28 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 29 4S 0.02400 -0.00675 0.00993 -0.02051 0.00652 30 4PX 0.00637 -0.00029 -0.01313 0.01020 0.00858 31 4PY 0.00506 -0.01647 -0.00716 0.01799 -0.00478 32 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 33 5XX 0.01400 -0.01516 0.00778 -0.00753 0.01496 34 5YY -0.02211 0.02443 -0.00299 0.00107 0.01622 35 5ZZ 0.01390 -0.01627 -0.00931 0.01149 -0.01241 36 5XY 0.00286 -0.00126 0.01718 -0.01887 0.00485 37 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 38 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 39 3 Cl 1S 0.00000 -0.00912 0.00000 0.00508 0.00000 40 2S 0.00001 0.04064 -0.00002 -0.02281 0.00001 41 2PX -0.00397 0.00000 0.00572 0.00000 -0.12714 42 2PY 0.00361 0.00000 0.00077 0.00000 0.05169 43 2PZ 0.00000 0.00070 0.00000 0.00086 -0.00001 44 3S -0.00003 -0.08476 0.00004 0.04729 -0.00001 45 3PX 0.00918 0.00000 -0.01400 0.00001 0.32018 46 3PY -0.00852 0.00000 -0.00236 0.00000 -0.13017 47 3PZ 0.00000 -0.00184 0.00000 -0.00165 0.00002 48 4S -0.00001 -0.02997 0.00002 0.02355 -0.00002 49 4PX 0.00684 0.00000 -0.00005 0.00000 0.12883 50 4PY -0.00223 0.00000 0.00545 0.00000 -0.05150 51 4PZ 0.00000 0.00222 0.00000 -0.00237 0.00000 52 5XX 0.00000 0.00029 0.00000 -0.00113 0.00000 53 5YY 0.00000 0.00140 0.00000 -0.00014 0.00000 54 5ZZ 0.00000 -0.00012 0.00000 -0.00024 0.00000 55 5XY 0.00000 -0.00033 0.00000 -0.00044 0.00000 56 5XZ 0.00227 0.00000 -0.00218 0.00000 0.02533 57 5YZ -0.00138 0.00000 0.00024 0.00000 -0.01025 58 4 Cl 1S 0.00000 -0.00912 0.00000 0.00508 0.00000 59 2S 0.00000 0.04064 -0.00002 -0.02281 -0.00001 60 2PX -0.00397 0.00000 0.00572 0.00000 -0.12712 61 2PY 0.00361 0.00000 0.00077 0.00000 0.05169 62 2PZ 0.00000 -0.00070 0.00000 -0.00086 -0.00001 63 3S -0.00001 -0.08476 0.00003 0.04729 0.00001 64 3PX 0.00918 0.00000 -0.01400 0.00001 0.32014 65 3PY -0.00852 0.00000 -0.00236 0.00000 -0.13016 66 3PZ 0.00000 0.00184 0.00000 0.00165 0.00002 67 4S 0.00000 -0.02997 0.00002 0.02355 0.00002 68 4PX 0.00684 0.00000 -0.00005 0.00000 0.12881 69 4PY -0.00223 0.00000 0.00545 -0.00001 -0.05149 70 4PZ 0.00000 -0.00222 0.00000 0.00237 0.00000 71 5XX 0.00000 0.00029 0.00000 -0.00113 0.00000 72 5YY 0.00000 0.00140 0.00000 -0.00014 0.00000 73 5ZZ 0.00000 -0.00012 0.00000 -0.00024 0.00000 74 5XY 0.00000 -0.00033 0.00000 -0.00044 0.00000 75 5XZ -0.00227 0.00000 0.00218 0.00000 -0.02533 76 5YZ 0.00138 0.00000 -0.00024 0.00000 0.01025 77 5 Cl 1S 0.05826 0.05817 0.00714 0.00591 -0.01057 78 2S -0.26322 -0.26282 -0.03201 -0.02629 0.04755 79 2PX 0.00245 0.00224 0.00108 0.00108 0.01164 80 2PY -0.02095 -0.02019 0.00033 0.00032 -0.05880 81 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 3S 0.52376 0.52322 0.06588 0.05503 -0.10534 83 3PX -0.00549 -0.00526 -0.00310 -0.00292 -0.02896 84 3PY 0.04897 0.04722 -0.00110 -0.00101 0.14583 85 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 86 4S 0.20904 0.21040 0.02187 0.01400 -0.06687 87 4PX -0.00258 -0.00093 0.00476 0.00387 -0.00897 88 4PY 0.00217 0.00087 -0.00200 -0.00176 0.04680 89 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 5XX -0.00928 -0.00923 -0.00064 -0.00036 -0.00253 91 5YY 0.00648 0.00592 -0.00071 -0.00038 0.01404 92 5ZZ -0.00918 -0.00911 -0.00054 -0.00022 -0.00227 93 5XY -0.00209 -0.00190 -0.00043 -0.00048 -0.00371 94 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 6 Cl 1S -0.05824 0.05819 -0.00713 0.00592 0.01057 97 2S 0.26311 -0.26293 0.03197 -0.02634 -0.04755 98 2PX 0.00245 -0.00224 0.00107 -0.00108 0.01165 99 2PY -0.02094 0.02020 0.00033 -0.00033 -0.05880 100 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 3S -0.52354 0.52343 -0.06579 0.05512 0.10534 102 3PX -0.00550 0.00527 -0.00309 0.00292 -0.02898 103 3PY 0.04895 -0.04724 -0.00110 0.00101 0.14583 104 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4S -0.20895 0.21049 -0.02185 0.01403 0.06687 106 4PX -0.00258 0.00093 0.00475 -0.00387 -0.00897 107 4PY 0.00217 -0.00087 -0.00199 0.00176 0.04680 108 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 109 5XX 0.00927 -0.00924 0.00064 -0.00036 0.00253 110 5YY -0.00648 0.00592 0.00070 -0.00038 -0.01404 111 5ZZ 0.00918 -0.00912 0.00054 -0.00022 0.00227 112 5XY 0.00210 -0.00190 0.00043 -0.00048 0.00371 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 7 Br 1S -0.00344 -0.00256 0.03665 0.03671 0.00655 116 2S 0.02239 0.01673 -0.23828 -0.23878 -0.04259 117 3S -0.02608 -0.01966 0.27692 0.27780 0.04935 118 4S -0.04572 -0.03392 0.49050 0.49118 0.09063 119 5S 0.03651 0.03104 -0.43144 -0.43795 -0.07767 120 6S 0.02652 0.00813 -0.18847 -0.17273 -0.07014 121 7PX -0.00108 -0.00072 0.00623 0.00608 -0.01585 122 7PY -0.00116 -0.00093 0.00473 0.00467 -0.01058 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00329 0.00221 -0.01899 -0.01855 0.04858 125 8PY 0.00353 0.00284 -0.01442 -0.01425 0.03243 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX -0.00562 -0.00398 0.03335 0.03314 -0.08515 128 9PY -0.00603 -0.00479 0.02545 0.02518 -0.05669 129 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 10PX -0.00567 -0.00237 0.00171 -0.00198 -0.05390 131 10PY -0.00357 -0.00274 0.00037 -0.00039 -0.03628 132 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 11XX 0.01144 0.00877 -0.12219 -0.12279 -0.02551 134 11YY 0.01144 0.00852 -0.12493 -0.12531 -0.02194 135 11ZZ 0.01252 0.00950 -0.12876 -0.12915 -0.01934 136 11XY -0.00127 -0.00096 0.00604 0.00593 -0.00529 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00607 0.00628 -0.05914 -0.06164 0.00303 140 12YY 0.00500 0.00582 -0.05453 -0.05770 -0.00307 141 12ZZ 0.00313 0.00410 -0.04859 -0.05176 -0.00885 142 12XY 0.00322 0.00236 -0.00999 -0.00946 0.01141 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00344 -0.00256 -0.03660 0.03676 -0.00655 146 2S -0.02238 0.01673 0.23791 -0.23915 0.04259 147 3S 0.02607 -0.01967 -0.27649 0.27823 -0.04935 148 4S 0.04570 -0.03393 -0.48974 0.49193 -0.09063 149 5S -0.03650 0.03105 0.43077 -0.43861 0.07767 150 6S -0.02652 0.00814 0.18821 -0.17302 0.07015 151 7PX -0.00108 0.00072 0.00622 -0.00609 -0.01585 152 7PY -0.00116 0.00093 0.00472 -0.00468 -0.01058 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00329 -0.00221 -0.01896 0.01858 0.04858 155 8PY 0.00353 -0.00285 -0.01440 0.01427 0.03243 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX -0.00562 0.00398 0.03330 -0.03319 -0.08514 158 9PY -0.00602 0.00479 0.02542 -0.02522 -0.05670 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX -0.00567 0.00238 0.00171 0.00198 -0.05390 161 10PY -0.00357 0.00274 0.00037 0.00039 -0.03629 162 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 11XX -0.01143 0.00877 0.12201 -0.12298 0.02551 164 11YY -0.01144 0.00852 0.12473 -0.12550 0.02194 165 11ZZ -0.01252 0.00950 0.12856 -0.12935 0.01934 166 11XY 0.00127 -0.00096 -0.00603 0.00594 0.00529 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX -0.00607 0.00628 0.05904 -0.06173 -0.00303 170 12YY -0.00500 0.00582 0.05444 -0.05778 0.00307 171 12ZZ -0.00313 0.00410 0.04851 -0.05184 0.00885 172 12XY -0.00322 0.00236 0.00998 -0.00948 -0.01141 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 67 68 69 70 O O O O O Eigenvalues -- -0.50285 -0.45695 -0.42799 -0.42518 -0.40690 1 1 Al 1S 0.02320 0.00000 -0.00046 -0.01709 -0.00001 2 2S -0.10822 0.00000 0.00127 0.07956 0.00002 3 2PX 0.04049 0.00000 -0.01917 0.05909 0.00004 4 2PY -0.01339 0.00000 -0.06936 -0.04497 -0.00001 5 2PZ 0.00000 -0.07893 0.00000 0.00001 0.04969 6 3S 0.27658 0.00000 -0.01055 -0.22095 -0.00008 7 3PX -0.10815 0.00000 0.05091 -0.14867 -0.00009 8 3PY 0.03248 0.00000 0.18104 0.11780 0.00004 9 3PZ 0.00000 0.19324 0.00000 -0.00001 -0.11888 10 4S -0.00728 0.00000 0.00347 -0.01016 0.00002 11 4PX -0.00246 0.00000 0.01897 -0.00478 -0.00001 12 4PY -0.00189 0.00000 0.03250 -0.00697 -0.00001 13 4PZ 0.00000 0.00614 0.00000 0.00000 0.02576 14 5XX 0.02138 0.00000 -0.00544 0.03605 0.00001 15 5YY -0.00969 0.00000 0.00010 -0.02931 -0.00002 16 5ZZ -0.02617 0.00000 0.00812 0.02440 0.00002 17 5XY -0.02050 0.00000 -0.01334 -0.01953 0.00000 18 5XZ 0.00000 -0.04634 0.00000 0.00000 0.04432 19 5YZ 0.00000 0.01639 0.00000 0.00000 -0.01591 20 2 Al 1S 0.02320 0.00000 0.00045 -0.01709 0.00001 21 2S -0.10822 0.00001 -0.00123 0.07956 -0.00003 22 2PX -0.04050 0.00000 -0.01920 -0.05908 0.00004 23 2PY 0.01339 0.00000 -0.06934 0.04500 -0.00002 24 2PZ 0.00000 0.07893 0.00000 0.00000 0.04969 25 3S 0.27658 -0.00003 0.01044 -0.22094 0.00009 26 3PX 0.10815 0.00000 0.05096 0.14865 -0.00010 27 3PY -0.03248 0.00000 0.18098 -0.11788 0.00005 28 3PZ 0.00000 -0.19324 -0.00001 0.00001 -0.11888 29 4S -0.00727 0.00000 -0.00347 -0.01016 -0.00002 30 4PX 0.00246 0.00000 0.01897 0.00477 -0.00001 31 4PY 0.00189 0.00000 0.03250 0.00696 -0.00001 32 4PZ 0.00000 -0.00614 0.00000 0.00000 0.02576 33 5XX 0.02138 0.00000 0.00546 0.03606 -0.00001 34 5YY -0.00969 0.00000 -0.00012 -0.02931 0.00002 35 5ZZ -0.02617 0.00000 -0.00811 0.02440 -0.00002 36 5XY -0.02050 0.00000 0.01333 -0.01953 0.00000 37 5XZ 0.00000 -0.04634 0.00000 0.00000 -0.04431 38 5YZ 0.00000 0.01639 0.00000 0.00000 0.01592 39 3 Cl 1S -0.01844 0.00000 0.00000 -0.00033 -0.00691 40 2S 0.08214 0.00000 0.00000 0.00349 0.03034 41 2PX 0.00000 0.16815 -0.07250 0.00001 -0.00002 42 2PY 0.00001 -0.06816 -0.13299 0.00004 0.00008 43 2PZ -0.14994 -0.00001 -0.00003 -0.07644 -0.20268 44 3S -0.18810 0.00000 0.00000 0.00080 -0.07543 45 3PX 0.00001 -0.42879 0.18571 -0.00003 0.00006 46 3PY -0.00002 0.17378 0.34038 -0.00009 -0.00020 47 3PZ 0.37622 0.00002 0.00008 0.19586 0.52143 48 4S -0.11464 0.00001 -0.00001 -0.03245 -0.02898 49 4PX 0.00000 -0.16927 0.08458 -0.00002 0.00002 50 4PY -0.00001 0.06899 0.15803 -0.00004 -0.00010 51 4PZ 0.14625 0.00001 0.00003 0.07655 0.24563 52 5XX -0.00283 0.00000 0.00000 -0.00572 0.00221 53 5YY -0.00720 0.00000 0.00000 -0.00225 -0.00558 54 5ZZ 0.02520 0.00000 0.00001 0.01417 0.01428 55 5XY -0.00244 0.00000 0.00000 0.00342 -0.00447 56 5XZ 0.00000 -0.02134 0.00836 0.00000 0.00000 57 5YZ 0.00000 0.00863 0.01532 0.00000 -0.00001 58 4 Cl 1S -0.01844 0.00000 0.00000 -0.00032 0.00691 59 2S 0.08214 0.00000 0.00000 0.00349 -0.03034 60 2PX 0.00001 -0.16815 -0.07250 0.00002 -0.00006 61 2PY 0.00000 0.06817 -0.13297 0.00004 0.00000 62 2PZ 0.14994 0.00001 0.00003 0.07642 -0.20269 63 3S -0.18809 0.00000 0.00000 0.00080 0.07544 64 3PX -0.00002 0.42881 0.18570 -0.00006 0.00014 65 3PY -0.00001 -0.17379 0.34033 -0.00009 0.00000 66 3PZ -0.37620 -0.00001 -0.00007 -0.19583 0.52145 67 4S -0.11464 0.00001 -0.00001 -0.03245 0.02899 68 4PX -0.00001 0.16928 0.08457 -0.00002 0.00006 69 4PY -0.00001 -0.06900 0.15800 -0.00004 0.00001 70 4PZ -0.14624 -0.00001 -0.00003 -0.07653 0.24564 71 5XX -0.00283 0.00000 0.00000 -0.00572 -0.00221 72 5YY -0.00720 0.00000 0.00000 -0.00225 0.00558 73 5ZZ 0.02520 0.00000 0.00000 0.01416 -0.01428 74 5XY -0.00244 0.00000 0.00000 0.00342 0.00447 75 5XZ 0.00000 -0.02134 -0.00836 0.00000 -0.00001 76 5YZ 0.00000 0.00863 -0.01532 0.00000 0.00000 77 5 Cl 1S -0.00705 0.00000 0.00679 0.01042 0.00000 78 2S 0.03150 0.00000 -0.03208 -0.04802 -0.00002 79 2PX 0.01094 0.00000 -0.03441 0.00654 0.00002 80 2PY -0.04093 -0.00001 0.07547 0.13771 0.00006 81 2PZ 0.00000 -0.02938 0.00000 0.00000 0.01980 82 3S -0.07078 -0.00001 0.06510 0.10297 0.00003 83 3PX -0.02751 0.00000 0.08661 -0.01680 -0.00004 84 3PY 0.10157 0.00001 -0.18890 -0.34562 -0.00016 85 3PZ 0.00000 0.07358 0.00001 0.00001 -0.04958 86 4S -0.03865 0.00000 0.09079 0.10083 0.00003 87 4PX -0.00591 0.00000 0.03444 -0.00785 -0.00002 88 4PY 0.03626 0.00000 -0.05693 -0.12140 -0.00006 89 4PZ 0.00000 0.02887 0.00000 0.00000 -0.02622 90 5XX -0.00136 0.00000 0.00000 0.00562 0.00000 91 5YY 0.00980 0.00000 -0.01151 -0.02212 -0.00001 92 5ZZ -0.00281 0.00000 0.00170 0.00489 0.00000 93 5XY -0.00341 0.00000 0.00649 -0.00074 0.00000 94 5XZ 0.00000 -0.00178 0.00000 0.00000 0.00118 95 5YZ 0.00000 0.00675 0.00000 0.00000 -0.00373 96 6 Cl 1S -0.00705 0.00000 -0.00678 0.01043 0.00000 97 2S 0.03150 0.00000 0.03206 -0.04804 0.00002 98 2PX -0.01095 0.00000 -0.03442 -0.00650 0.00002 99 2PY 0.04093 -0.00001 0.07540 -0.13775 0.00007 100 2PZ 0.00000 0.02938 0.00000 0.00000 0.01978 101 3S -0.07078 0.00001 -0.06505 0.10300 -0.00004 102 3PX 0.02752 0.00000 0.08664 0.01671 -0.00004 103 3PY -0.10156 0.00001 -0.18872 0.34572 -0.00018 104 3PZ 0.00000 -0.07358 0.00000 -0.00001 -0.04954 105 4S -0.03864 0.00001 -0.09074 0.10088 -0.00003 106 4PX 0.00591 0.00000 0.03444 0.00781 -0.00002 107 4PY -0.03626 0.00000 -0.05686 0.12143 -0.00007 108 4PZ 0.00000 -0.02887 0.00000 0.00000 -0.02621 109 5XX -0.00136 0.00000 0.00001 0.00562 0.00000 110 5YY 0.00980 0.00000 0.01149 -0.02213 0.00001 111 5ZZ -0.00281 0.00000 -0.00170 0.00489 0.00000 112 5XY -0.00341 0.00000 -0.00649 -0.00073 0.00000 113 5XZ 0.00000 -0.00178 0.00000 0.00000 -0.00118 114 5YZ 0.00000 0.00675 0.00000 0.00000 0.00373 115 7 Br 1S 0.00427 0.00000 0.00371 -0.00479 0.00000 116 2S -0.02782 0.00000 -0.02389 0.03106 0.00002 117 3S 0.03234 0.00000 0.02715 -0.03583 -0.00002 118 4S 0.05903 0.00000 0.05214 -0.06683 -0.00003 119 5S -0.05662 0.00000 -0.01556 0.04337 0.00002 120 6S -0.02801 0.00000 -0.13230 0.09830 0.00005 121 7PX -0.01139 0.00000 -0.02144 0.01940 0.00001 122 7PY -0.00665 0.00000 -0.00576 0.02429 0.00001 123 7PZ 0.00000 0.00855 0.00000 0.00000 -0.00479 124 8PX 0.03490 0.00000 0.06586 -0.05957 -0.00004 125 8PY 0.02036 0.00000 0.01771 -0.07461 -0.00004 126 8PZ 0.00000 -0.02624 0.00000 0.00000 0.01470 127 9PX -0.06121 -0.00001 -0.11788 0.10605 0.00007 128 9PY -0.03512 0.00000 -0.03193 0.13313 0.00008 129 9PZ 0.00000 0.04667 -0.00001 0.00000 -0.02566 130 10PX -0.04112 0.00000 -0.06204 0.06505 0.00004 131 10PY -0.02852 0.00000 -0.00711 0.08224 0.00005 132 10PZ 0.00000 0.02903 0.00000 0.00000 -0.02196 133 11XX -0.01751 0.00000 -0.01627 0.01688 0.00001 134 11YY -0.01426 0.00000 -0.01003 0.01875 0.00001 135 11ZZ -0.01201 0.00000 -0.01015 0.01262 0.00001 136 11XY -0.00356 0.00000 -0.00247 0.00656 0.00000 137 11XZ 0.00000 0.00314 0.00000 0.00000 -0.00158 138 11YZ 0.00000 0.00183 0.00000 0.00000 -0.00088 139 12XX 0.00143 0.00000 0.01702 -0.00484 0.00000 140 12YY -0.00411 0.00000 0.00680 -0.00822 0.00000 141 12ZZ -0.01037 0.00000 0.00840 0.00187 0.00000 142 12XY 0.00835 0.00000 0.00186 -0.01126 -0.00001 143 12XZ 0.00000 -0.00547 0.00000 0.00000 0.00339 144 12YZ 0.00000 -0.00282 0.00000 0.00000 0.00205 145 8 Br 1S 0.00427 0.00000 -0.00371 -0.00479 0.00000 146 2S -0.02782 0.00000 0.02391 0.03105 -0.00002 147 3S 0.03234 0.00000 -0.02717 -0.03582 0.00002 148 4S 0.05903 0.00000 -0.05217 -0.06679 0.00003 149 5S -0.05662 0.00000 0.01559 0.04336 -0.00002 150 6S -0.02802 0.00000 0.13235 0.09823 -0.00005 151 7PX 0.01138 0.00000 -0.02145 -0.01938 0.00001 152 7PY 0.00665 0.00000 -0.00578 -0.02429 0.00002 153 7PZ 0.00000 -0.00855 0.00000 0.00000 -0.00479 154 8PX -0.03490 0.00000 0.06589 0.05952 -0.00004 155 8PY -0.02036 0.00000 0.01775 0.07460 -0.00005 156 8PZ 0.00000 0.02624 0.00000 0.00000 0.01471 157 9PX 0.06121 0.00000 -0.11793 -0.10596 0.00007 158 9PY 0.03512 -0.00001 -0.03201 -0.13312 0.00009 159 9PZ 0.00000 -0.04667 0.00000 0.00000 -0.02568 160 10PX 0.04112 0.00000 -0.06207 -0.06500 0.00004 161 10PY 0.02853 0.00000 -0.00716 -0.08224 0.00005 162 10PZ 0.00000 -0.02903 0.00000 0.00000 -0.02198 163 11XX -0.01751 0.00000 0.01628 0.01687 -0.00001 164 11YY -0.01426 0.00000 0.01004 0.01874 -0.00001 165 11ZZ -0.01201 0.00000 0.01016 0.01261 -0.00001 166 11XY -0.00356 0.00000 0.00248 0.00655 0.00000 167 11XZ 0.00000 0.00314 0.00000 0.00000 0.00158 168 11YZ 0.00000 0.00183 0.00000 0.00000 0.00088 169 12XX 0.00142 0.00000 -0.01702 -0.00482 0.00000 170 12YY -0.00411 0.00000 -0.00680 -0.00822 0.00001 171 12ZZ -0.01037 0.00000 -0.00840 0.00187 0.00000 172 12XY 0.00835 0.00000 -0.00187 -0.01126 0.00001 173 12XZ 0.00000 -0.00547 0.00000 0.00000 -0.00340 174 12YZ 0.00000 -0.00282 0.00000 0.00000 -0.00205 71 72 73 74 75 O O O O O Eigenvalues -- -0.40372 -0.39507 -0.38834 -0.36981 -0.35122 1 1 Al 1S 0.01044 0.00000 -0.00471 -0.00334 0.00000 2 2S -0.04584 0.00000 0.02291 0.01556 0.00000 3 2PX -0.06339 0.00001 0.04870 0.03768 0.00000 4 2PY 0.03076 0.00002 0.07719 0.04908 0.00000 5 2PZ 0.00002 0.00002 0.00000 0.00000 -0.03105 6 3S 0.15051 -0.00001 -0.05695 -0.04445 0.00000 7 3PX 0.15679 -0.00002 -0.12313 -0.09288 0.00000 8 3PY -0.07795 -0.00005 -0.19952 -0.12385 0.00000 9 3PZ -0.00006 -0.00040 0.00000 0.00000 0.08180 10 4S -0.03866 0.00000 -0.00443 0.01629 0.00000 11 4PX 0.02060 0.00000 -0.00203 0.00238 0.00000 12 4PY 0.00894 0.00000 0.01675 0.04184 0.00000 13 4PZ 0.00001 -0.00145 0.00000 0.00000 0.05453 14 5XX -0.01077 0.00000 -0.02141 -0.03810 0.00000 15 5YY 0.04052 0.00000 0.02467 0.03543 0.00000 16 5ZZ -0.05208 0.00000 0.00358 0.00847 0.00000 17 5XY 0.00284 0.00000 -0.02765 -0.04328 0.00000 18 5XZ 0.00002 0.01317 0.00000 0.00000 0.01660 19 5YZ -0.00001 0.04042 -0.00001 0.00000 -0.03625 20 2 Al 1S -0.01044 0.00000 -0.00471 0.00334 0.00000 21 2S 0.04584 0.00001 0.02291 -0.01556 0.00000 22 2PX -0.06340 -0.00002 -0.04868 0.03769 0.00000 23 2PY 0.03075 -0.00002 -0.07720 0.04909 0.00000 24 2PZ 0.00002 -0.00003 0.00000 0.00000 -0.03105 25 3S -0.15052 -0.00002 -0.05694 0.04445 0.00000 26 3PX 0.15681 0.00004 0.12308 -0.09288 -0.00001 27 3PY -0.07791 0.00006 0.19953 -0.12387 0.00000 28 3PZ -0.00005 0.00043 0.00000 0.00000 0.08179 29 4S 0.03865 0.00000 -0.00444 -0.01629 -0.00001 30 4PX 0.02060 0.00000 0.00203 0.00237 -0.00001 31 4PY 0.00894 0.00000 -0.01675 0.04184 0.00000 32 4PZ 0.00001 0.00144 0.00000 0.00000 0.05452 33 5XX 0.01077 0.00000 -0.02141 0.03809 0.00000 34 5YY -0.04052 0.00000 0.02467 -0.03542 0.00000 35 5ZZ 0.05208 0.00000 0.00358 -0.00848 0.00000 36 5XY -0.00284 -0.00001 -0.02765 0.04329 0.00000 37 5XZ -0.00002 0.01318 0.00000 0.00000 -0.01660 38 5YZ 0.00001 0.04042 -0.00001 0.00000 0.03625 39 3 Cl 1S 0.00000 0.00000 0.00055 0.00000 0.00323 40 2S 0.00001 0.00000 -0.00181 0.00000 -0.01520 41 2PX 0.08635 0.07700 -0.00003 -0.05807 0.00000 42 2PY -0.07676 0.17878 -0.00004 -0.09518 0.00000 43 2PZ -0.00011 0.00004 -0.00996 0.00000 -0.03190 44 3S -0.00004 0.00001 0.00730 0.00000 0.03143 45 3PX -0.22242 -0.19720 0.00007 0.15049 -0.00001 46 3PY 0.19768 -0.45773 0.00011 0.24628 -0.00001 47 3PZ 0.00029 -0.00011 0.02568 0.00000 0.08448 48 4S -0.00001 0.00000 -0.00881 0.00000 0.06255 49 4PX -0.09338 -0.10712 0.00004 0.07215 -0.00001 50 4PY 0.09010 -0.24877 0.00006 0.12968 -0.00001 51 4PZ 0.00014 -0.00005 0.00842 0.00000 0.04726 52 5XX 0.00000 0.00000 -0.00615 0.00000 -0.00388 53 5YY 0.00000 0.00000 0.00491 0.00000 -0.00440 54 5ZZ 0.00001 0.00000 0.00230 0.00000 0.00480 55 5XY 0.00000 0.00000 -0.00470 0.00000 0.00437 56 5XZ -0.00816 -0.00527 0.00000 0.00315 0.00000 57 5YZ 0.00707 -0.01179 0.00000 0.00468 0.00000 58 4 Cl 1S 0.00000 0.00000 0.00055 0.00000 -0.00323 59 2S -0.00001 0.00000 -0.00181 0.00000 0.01520 60 2PX 0.08636 -0.07700 0.00001 -0.05808 0.00000 61 2PY -0.07675 -0.17879 0.00004 -0.09519 -0.00001 62 2PZ -0.00011 0.00005 0.00996 0.00000 -0.03190 63 3S 0.00004 -0.00001 0.00730 0.00000 -0.03143 64 3PX -0.22245 0.19720 -0.00003 0.15050 0.00000 65 3PY 0.19765 0.45776 -0.00011 0.24630 0.00002 66 3PZ 0.00028 -0.00013 -0.02568 -0.00001 0.08448 67 4S 0.00001 0.00000 -0.00881 0.00000 -0.06255 68 4PX -0.09339 0.10712 -0.00002 0.07215 0.00000 69 4PY 0.09008 0.24878 -0.00006 0.12970 0.00001 70 4PZ 0.00013 -0.00006 -0.00842 -0.00001 0.04726 71 5XX 0.00000 0.00000 -0.00615 0.00000 0.00388 72 5YY 0.00000 0.00000 0.00491 0.00000 0.00440 73 5ZZ -0.00001 0.00000 0.00230 0.00000 -0.00480 74 5XY 0.00000 0.00000 -0.00470 0.00000 -0.00437 75 5XZ 0.00817 -0.00527 0.00000 -0.00315 0.00000 76 5YZ -0.00707 -0.01179 0.00000 -0.00468 0.00000 77 5 Cl 1S -0.00633 0.00000 -0.00460 -0.00225 0.00000 78 2S 0.02899 0.00000 0.02180 0.01082 0.00000 79 2PX -0.03217 0.00001 0.04866 0.02068 0.00000 80 2PY -0.12210 -0.00002 -0.10248 -0.09315 -0.00001 81 2PZ 0.00001 0.03849 -0.00001 0.00001 -0.18709 82 3S -0.06314 -0.00001 -0.04443 -0.02140 0.00000 83 3PX 0.08178 -0.00002 -0.12344 -0.05243 -0.00001 84 3PY 0.30762 0.00005 0.25910 0.23673 0.00002 85 3PZ -0.00004 -0.09656 0.00002 -0.00001 0.47743 86 4S -0.05642 -0.00001 -0.05943 -0.02641 0.00000 87 4PX 0.03704 -0.00001 -0.05469 -0.02342 0.00000 88 4PY 0.12038 0.00002 0.09413 0.09489 0.00001 89 4PZ -0.00002 -0.05493 0.00001 -0.00001 0.25040 90 5XX -0.00557 0.00000 -0.00219 -0.00367 0.00000 91 5YY 0.01755 0.00000 0.01192 0.00987 0.00000 92 5ZZ -0.00556 0.00000 -0.00300 -0.00288 0.00000 93 5XY 0.00465 0.00000 -0.00780 -0.00366 0.00000 94 5XZ 0.00000 0.00236 0.00000 0.00000 -0.00154 95 5YZ 0.00000 -0.00526 0.00000 0.00000 0.01635 96 6 Cl 1S 0.00633 0.00000 -0.00460 0.00225 0.00000 97 2S -0.02899 0.00001 0.02180 -0.01082 0.00000 98 2PX -0.03216 -0.00002 -0.04866 0.02070 0.00001 99 2PY -0.12210 0.00002 0.10247 -0.09315 0.00000 100 2PZ 0.00001 -0.03849 0.00001 0.00000 -0.18709 101 3S 0.06314 -0.00001 -0.04443 0.02140 0.00000 102 3PX 0.08176 0.00004 0.12345 -0.05249 -0.00003 103 3PY 0.30762 -0.00006 -0.25910 0.23673 0.00001 104 3PZ -0.00004 0.09656 -0.00002 0.00000 0.47742 105 4S 0.05642 -0.00002 -0.05943 0.02641 0.00000 106 4PX 0.03703 0.00002 0.05470 -0.02345 -0.00001 107 4PY 0.12039 -0.00002 -0.09413 0.09489 0.00001 108 4PZ -0.00002 0.05494 -0.00001 0.00000 0.25039 109 5XX 0.00557 0.00000 -0.00219 0.00366 0.00000 110 5YY -0.01755 0.00000 0.01192 -0.00987 0.00000 111 5ZZ 0.00556 0.00000 -0.00300 0.00288 0.00000 112 5XY -0.00464 0.00000 -0.00780 0.00367 0.00000 113 5XZ 0.00000 0.00237 0.00000 0.00000 0.00154 114 5YZ 0.00000 -0.00526 0.00000 0.00000 -0.01635 115 7 Br 1S 0.00381 0.00000 -0.00560 -0.00347 0.00000 116 2S -0.02478 0.00001 0.03644 0.02266 0.00000 117 3S 0.02867 -0.00001 -0.04222 -0.02654 0.00000 118 4S 0.05331 -0.00002 -0.07844 -0.04837 0.00000 119 5S -0.03281 0.00001 0.04301 0.03251 0.00000 120 6S -0.08528 0.00003 0.14064 0.06709 0.00000 121 7PX -0.01957 0.00001 0.04687 0.03703 0.00000 122 7PY -0.02594 0.00001 0.03324 0.03799 0.00000 123 7PZ 0.00000 0.00958 0.00000 0.00000 0.01610 124 8PX 0.06013 -0.00003 -0.14411 -0.11388 0.00000 125 8PY 0.07973 -0.00002 -0.10219 -0.11685 0.00000 126 8PZ 0.00001 -0.02941 0.00000 0.00000 -0.04958 127 9PX -0.10725 0.00005 0.25878 0.20472 0.00000 128 9PY -0.14276 0.00003 0.18402 0.21106 0.00000 129 9PZ -0.00002 0.05141 -0.00001 0.00001 0.09098 130 10PX -0.06836 0.00003 0.16486 0.13963 0.00000 131 10PY -0.09202 0.00002 0.11255 0.14379 0.00000 132 10PZ -0.00002 0.04705 -0.00001 0.00001 0.06132 133 11XX -0.01359 0.00000 0.02411 0.01471 0.00000 134 11YY -0.01582 0.00000 0.01881 0.01341 0.00000 135 11ZZ -0.00920 0.00000 0.01393 0.00764 0.00000 136 11XY -0.00576 0.00000 0.00846 0.00775 0.00000 137 11XZ 0.00000 0.00259 0.00000 0.00000 0.00177 138 11YZ 0.00000 0.00058 0.00000 0.00000 0.00202 139 12XX 0.00440 0.00000 -0.01542 -0.00548 0.00000 140 12YY 0.00899 0.00000 -0.00569 -0.00375 0.00000 141 12ZZ -0.00292 0.00000 0.00017 0.00542 0.00000 142 12XY 0.00928 0.00000 -0.01214 -0.01247 0.00000 143 12XZ 0.00000 -0.00670 0.00000 0.00000 -0.00408 144 12YZ 0.00000 -0.00070 0.00000 0.00000 -0.00514 145 8 Br 1S -0.00381 0.00000 -0.00560 0.00347 0.00000 146 2S 0.02478 0.00001 0.03643 -0.02267 0.00000 147 3S -0.02867 -0.00001 -0.04221 0.02655 0.00000 148 4S -0.05332 -0.00003 -0.07844 0.04838 0.00000 149 5S 0.03282 0.00001 0.04301 -0.03251 0.00000 150 6S 0.08529 0.00005 0.14063 -0.06710 0.00000 151 7PX -0.01957 -0.00001 -0.04686 0.03703 0.00000 152 7PY -0.02595 -0.00001 -0.03324 0.03799 0.00000 153 7PZ 0.00000 -0.00958 0.00000 0.00000 0.01609 154 8PX 0.06014 0.00004 0.14408 -0.11388 0.00000 155 8PY 0.07975 0.00003 0.10219 -0.11688 0.00000 156 8PZ 0.00001 0.02941 0.00000 0.00000 -0.04957 157 9PX -0.10726 -0.00008 -0.25873 0.20472 -0.00001 158 9PY -0.14279 -0.00005 -0.18403 0.21111 0.00000 159 9PZ -0.00002 -0.05141 0.00001 0.00001 0.09097 160 10PX -0.06836 -0.00005 -0.16483 0.13963 0.00000 161 10PY -0.09203 -0.00003 -0.11255 0.14382 0.00000 162 10PZ -0.00001 -0.04705 0.00001 0.00000 0.06130 163 11XX 0.01360 0.00001 0.02411 -0.01471 0.00000 164 11YY 0.01582 0.00001 0.01881 -0.01341 0.00000 165 11ZZ 0.00920 0.00000 0.01393 -0.00764 0.00000 166 11XY 0.00576 0.00000 0.00846 -0.00776 0.00000 167 11XZ 0.00000 0.00259 0.00000 0.00000 -0.00177 168 11YZ 0.00000 0.00058 0.00000 0.00000 -0.00202 169 12XX -0.00440 -0.00001 -0.01541 0.00548 0.00000 170 12YY -0.00899 0.00000 -0.00570 0.00375 0.00000 171 12ZZ 0.00292 0.00000 0.00017 -0.00543 0.00000 172 12XY -0.00928 0.00000 -0.01214 0.01247 0.00000 173 12XZ 0.00000 -0.00670 0.00000 0.00000 0.00408 174 12YZ 0.00000 -0.00070 0.00000 0.00000 0.00514 76 77 78 79 80 O O O O O Eigenvalues -- -0.34810 -0.34451 -0.34236 -0.32551 -0.31977 1 1 Al 1S -0.00187 -0.00231 0.00000 0.00000 -0.00006 2 2S 0.01160 0.01340 0.00000 0.00000 -0.00111 3 2PX -0.00679 -0.00672 0.00000 0.00000 0.00569 4 2PY 0.00996 0.00832 0.00000 0.00000 -0.00656 5 2PZ 0.00000 0.00000 0.01356 -0.02007 -0.00005 6 3S -0.01158 -0.01690 0.00000 0.00000 -0.00719 7 3PX 0.01246 0.02018 0.00000 0.00000 -0.00924 8 3PY -0.02208 -0.02135 0.00000 0.00000 0.01737 9 3PZ 0.00000 0.00000 -0.03585 0.05190 0.00012 10 4S -0.02280 -0.08691 0.00000 0.00001 0.01144 11 4PX 0.07190 0.10948 0.00000 0.00000 -0.02250 12 4PY -0.00787 -0.02652 0.00000 0.00000 0.04824 13 4PZ 0.00000 0.00000 -0.04915 0.04139 0.00020 14 5XX 0.02024 0.00988 0.00000 0.00000 -0.03333 15 5YY -0.02015 -0.02913 0.00000 0.00000 0.03385 16 5ZZ 0.00293 0.01831 0.00000 0.00000 -0.00118 17 5XY -0.05260 -0.04386 0.00000 0.00000 -0.00891 18 5XZ 0.00000 0.00000 -0.02347 0.02926 0.00013 19 5YZ 0.00000 0.00000 0.03118 0.03126 0.00007 20 2 Al 1S -0.00187 0.00231 0.00000 0.00000 -0.00006 21 2S 0.01160 -0.01340 0.00000 0.00000 -0.00111 22 2PX 0.00679 -0.00672 0.00000 0.00000 -0.00569 23 2PY -0.00996 0.00832 0.00000 0.00000 0.00655 24 2PZ 0.00000 0.00000 -0.01356 -0.02007 0.00005 25 3S -0.01157 0.01691 0.00000 0.00000 -0.00718 26 3PX -0.01246 0.02018 0.00000 0.00000 0.00924 27 3PY 0.02207 -0.02136 0.00000 0.00000 -0.01735 28 3PZ 0.00000 0.00000 0.03586 0.05189 -0.00012 29 4S -0.02279 0.08692 0.00000 -0.00001 0.01139 30 4PX -0.07187 0.10950 0.00001 0.00000 0.02247 31 4PY 0.00786 -0.02651 0.00000 0.00000 -0.04820 32 4PZ 0.00000 0.00000 0.04915 0.04137 -0.00020 33 5XX 0.02025 -0.00989 0.00000 0.00000 -0.03332 34 5YY -0.02016 0.02915 0.00000 0.00000 0.03383 35 5ZZ 0.00292 -0.01831 0.00000 0.00000 -0.00118 36 5XY -0.05259 0.04386 0.00000 0.00000 -0.00892 37 5XZ 0.00000 0.00000 -0.02348 -0.02924 0.00013 38 5YZ 0.00000 0.00000 0.03117 -0.03125 0.00007 39 3 Cl 1S 0.00206 0.00000 0.00000 0.00222 -0.00091 40 2S -0.00998 0.00000 0.00000 -0.01034 0.00453 41 2PX 0.00000 -0.03374 0.03241 -0.00001 -0.00019 42 2PY 0.00001 0.03790 -0.05939 0.00000 -0.00011 43 2PZ -0.03193 0.00000 0.00000 -0.01274 0.01054 44 3S 0.01923 0.00000 0.00000 0.02205 -0.00834 45 3PX 0.00000 0.08746 -0.08414 0.00001 0.00050 46 3PY -0.00002 -0.09805 0.15499 0.00000 0.00029 47 3PZ 0.08358 -0.00001 0.00001 0.03427 -0.02791 48 4S 0.05971 0.00000 0.00001 0.04273 -0.03148 49 4PX 0.00000 0.06019 -0.05655 0.00001 0.00029 50 4PY -0.00001 -0.06115 0.08202 0.00000 0.00010 51 4PZ 0.05646 -0.00001 0.00001 0.02005 -0.02152 52 5XX -0.00197 0.00000 0.00000 -0.00737 0.00330 53 5YY -0.00499 0.00000 0.00000 0.00220 -0.00066 54 5ZZ 0.00449 0.00000 0.00000 0.00267 -0.00130 55 5XY -0.00025 0.00000 0.00000 -0.00271 0.00392 56 5XZ 0.00000 0.00046 -0.00327 0.00000 0.00001 57 5YZ 0.00000 -0.00051 0.00263 0.00000 0.00000 58 4 Cl 1S 0.00206 0.00000 0.00000 -0.00222 -0.00091 59 2S -0.00998 0.00000 0.00000 0.01034 0.00452 60 2PX 0.00000 -0.03374 -0.03242 0.00001 0.00021 61 2PY 0.00001 0.03790 0.05939 0.00000 0.00013 62 2PZ 0.03193 0.00000 0.00000 -0.01274 -0.01054 63 3S 0.01923 0.00000 0.00000 -0.02205 -0.00834 64 3PX 0.00001 0.08746 0.08415 -0.00002 -0.00055 65 3PY -0.00002 -0.09805 -0.15500 0.00000 -0.00035 66 3PZ -0.08358 0.00001 0.00001 0.03427 0.02791 67 4S 0.05971 -0.00001 0.00000 -0.04273 -0.03148 68 4PX 0.00000 0.06019 0.05656 -0.00001 -0.00032 69 4PY -0.00001 -0.06115 -0.08202 0.00000 -0.00013 70 4PZ -0.05647 0.00001 0.00000 0.02005 0.02152 71 5XX -0.00197 0.00000 0.00000 0.00737 0.00330 72 5YY -0.00499 0.00000 0.00000 -0.00220 -0.00066 73 5ZZ 0.00449 0.00000 0.00000 -0.00267 -0.00130 74 5XY -0.00025 0.00000 0.00000 0.00271 0.00391 75 5XZ 0.00000 -0.00046 -0.00327 0.00000 0.00001 76 5YZ 0.00000 0.00051 0.00263 0.00000 0.00000 77 5 Cl 1S 0.00010 -0.00004 0.00000 0.00000 0.00045 78 2S -0.00040 -0.00012 0.00000 0.00000 -0.00221 79 2PX -0.17737 -0.17836 -0.00001 0.00000 -0.06875 80 2PY -0.01689 -0.00100 0.00000 0.00000 -0.03358 81 2PZ 0.00001 -0.00001 0.18813 0.05171 0.00015 82 3S 0.00093 -0.00124 0.00000 0.00000 0.00450 83 3PX 0.45370 0.45713 0.00001 0.00000 0.17620 84 3PY 0.04324 0.00253 -0.00001 0.00000 0.08635 85 3PZ -0.00001 0.00003 -0.48106 -0.13108 -0.00039 86 4S -0.00254 0.00048 0.00000 0.00000 0.01971 87 4PX 0.23326 0.23019 0.00001 0.00000 0.10152 88 4PY 0.02268 0.00507 -0.00001 0.00000 0.04348 89 4PZ -0.00001 0.00002 -0.25516 -0.08621 -0.00026 90 5XX -0.00286 -0.00227 0.00000 0.00000 -0.00262 91 5YY 0.00311 0.00103 0.00000 0.00000 0.00127 92 5ZZ 0.00021 0.00106 0.00000 0.00000 -0.00062 93 5XY 0.01423 0.01371 0.00000 0.00000 0.00266 94 5XZ 0.00000 0.00000 0.00064 0.00115 0.00000 95 5YZ 0.00000 0.00000 -0.01413 -0.00233 -0.00001 96 6 Cl 1S 0.00010 0.00004 0.00000 0.00000 0.00045 97 2S -0.00040 0.00012 0.00000 0.00000 -0.00221 98 2PX 0.17733 -0.17840 0.00000 0.00000 0.06869 99 2PY 0.01691 -0.00102 0.00000 0.00000 0.03357 100 2PZ 0.00000 0.00000 -0.18813 0.05171 -0.00015 101 3S 0.00093 0.00124 0.00000 0.00000 0.00450 102 3PX -0.45359 0.45723 0.00001 0.00001 -0.17607 103 3PY -0.04329 0.00260 0.00001 0.00000 -0.08633 104 3PZ -0.00001 0.00000 0.48108 -0.13106 0.00038 105 4S -0.00254 -0.00048 0.00000 0.00000 0.01970 106 4PX -0.23321 0.23024 0.00001 0.00001 -0.10144 107 4PY -0.02271 0.00510 0.00001 0.00000 -0.04347 108 4PZ 0.00000 0.00000 0.25517 -0.08620 0.00026 109 5XX -0.00287 0.00228 0.00000 0.00000 -0.00262 110 5YY 0.00311 -0.00103 0.00000 0.00000 0.00127 111 5ZZ 0.00021 -0.00106 0.00000 0.00000 -0.00062 112 5XY 0.01423 -0.01372 0.00000 0.00000 0.00266 113 5XZ 0.00000 0.00000 0.00064 -0.00115 0.00000 114 5YZ 0.00000 0.00000 -0.01413 0.00233 -0.00001 115 7 Br 1S -0.00060 -0.00044 0.00000 0.00000 0.00007 116 2S 0.00428 0.00320 0.00000 0.00000 -0.00037 117 3S -0.00573 -0.00443 0.00000 0.00000 0.00020 118 4S -0.00790 -0.00566 0.00000 0.00000 0.00121 119 5S 0.01675 0.01380 0.00000 0.00000 0.00353 120 6S -0.02656 -0.02582 0.00001 0.00000 -0.01700 121 7PX 0.02833 0.02800 0.00000 0.00000 -0.03962 122 7PY -0.00841 -0.00656 0.00000 0.00000 0.05950 123 7PZ 0.00000 0.00000 -0.01198 0.07299 0.00032 124 8PX -0.08720 -0.08619 0.00000 0.00001 0.12208 125 8PY 0.02591 0.02024 0.00000 0.00000 -0.18330 126 8PZ 0.00000 -0.00001 0.03691 -0.22482 -0.00100 127 9PX 0.15809 0.15698 0.00000 -0.00002 -0.22136 128 9PY -0.04740 -0.03782 0.00000 0.00001 0.33238 129 9PZ 0.00000 0.00001 -0.06789 0.40581 0.00181 130 10PX 0.11820 0.11360 0.00000 -0.00002 -0.18352 131 10PY -0.03641 -0.02466 0.00000 0.00001 0.27647 132 10PZ 0.00000 0.00001 -0.04587 0.34304 0.00153 133 11XX 0.00647 0.00574 0.00000 0.00000 -0.00501 134 11YY -0.00032 -0.00056 0.00000 0.00000 0.00492 135 11ZZ 0.00178 0.00099 0.00000 0.00000 -0.00012 136 11XY 0.00126 0.00152 0.00000 0.00000 0.00224 137 11XZ 0.00000 0.00000 -0.00104 0.00578 0.00002 138 11YZ 0.00000 0.00000 -0.00135 0.00440 0.00002 139 12XX -0.00102 -0.00111 0.00000 0.00000 0.02000 140 12YY 0.01428 0.01236 0.00000 0.00000 -0.01439 141 12ZZ 0.00671 0.00697 0.00000 0.00000 0.00193 142 12XY -0.00020 -0.00084 0.00000 0.00000 -0.00660 143 12XZ 0.00000 0.00000 0.00254 -0.01896 -0.00007 144 12YZ 0.00000 0.00000 0.00343 -0.01437 -0.00006 145 8 Br 1S -0.00060 0.00044 0.00000 0.00000 0.00007 146 2S 0.00428 -0.00320 0.00000 0.00000 -0.00037 147 3S -0.00573 0.00443 0.00000 0.00000 0.00020 148 4S -0.00790 0.00567 0.00000 0.00000 0.00121 149 5S 0.01675 -0.01381 0.00000 0.00000 0.00352 150 6S -0.02654 0.02583 0.00001 0.00000 -0.01698 151 7PX -0.02833 0.02800 0.00000 0.00000 0.03960 152 7PY 0.00840 -0.00656 0.00000 0.00000 -0.05946 153 7PZ 0.00000 0.00000 0.01198 0.07297 -0.00032 154 8PX 0.08719 -0.08621 0.00000 0.00001 -0.12201 155 8PY -0.02589 0.02023 0.00000 -0.00001 0.18318 156 8PZ 0.00000 0.00000 -0.03692 -0.22476 0.00100 157 9PX -0.15806 0.15701 0.00001 -0.00002 0.22124 158 9PY 0.04737 -0.03780 -0.00001 0.00001 -0.33216 159 9PZ -0.00001 0.00001 0.06791 0.40569 -0.00181 160 10PX -0.11819 0.11362 0.00001 -0.00002 0.18342 161 10PY 0.03639 -0.02465 0.00000 0.00001 -0.27629 162 10PZ -0.00001 0.00001 0.04589 0.34294 -0.00152 163 11XX 0.00647 -0.00574 0.00000 0.00000 -0.00501 164 11YY -0.00032 0.00056 0.00000 0.00000 0.00492 165 11ZZ 0.00178 -0.00099 0.00000 0.00000 -0.00012 166 11XY 0.00126 -0.00152 0.00000 0.00000 0.00224 167 11XZ 0.00000 0.00000 -0.00104 -0.00577 0.00002 168 11YZ 0.00000 0.00000 -0.00135 -0.00440 0.00002 169 12XX -0.00102 0.00111 0.00000 0.00000 0.01999 170 12YY 0.01427 -0.01236 0.00000 0.00000 -0.01439 171 12ZZ 0.00671 -0.00697 0.00000 0.00000 0.00193 172 12XY -0.00020 0.00084 0.00000 0.00000 -0.00659 173 12XZ 0.00000 0.00000 0.00254 0.01895 -0.00007 174 12YZ 0.00000 0.00000 0.00343 0.01437 -0.00006 81 82 83 84 85 O O V V V Eigenvalues -- -0.31970 -0.31761 -0.05286 -0.03700 -0.02563 1 1 Al 1S 0.00000 0.00041 0.03386 -0.04404 -0.00002 2 2S 0.00000 -0.00348 -0.16268 0.17481 0.00006 3 2PX 0.00002 0.00595 0.00805 -0.05132 0.00000 4 2PY -0.00003 -0.00747 -0.00730 0.02843 0.00000 5 2PZ 0.01114 0.00000 0.00000 0.00006 -0.14396 6 3S -0.00003 -0.00269 0.46092 -0.78371 -0.00026 7 3PX -0.00004 -0.01527 -0.03613 0.21222 0.00000 8 3PY 0.00007 0.01925 0.02151 -0.10152 0.00000 9 3PZ -0.02812 0.00000 0.00001 -0.00019 0.49722 10 4S 0.00005 0.05487 0.76255 -0.46146 -0.00020 11 4PX -0.00010 -0.04465 0.09408 0.07720 -0.00005 12 4PY 0.00022 0.05879 -0.04531 -0.01814 0.00003 13 4PZ -0.04458 0.00000 -0.00001 -0.00016 0.51871 14 5XX -0.00014 -0.02080 -0.01894 -0.00536 0.00000 15 5YY 0.00015 0.02817 -0.03315 0.03024 0.00001 16 5ZZ -0.00001 -0.00580 0.05517 -0.01321 -0.00001 17 5XY -0.00004 -0.00131 -0.01160 0.02857 0.00001 18 5XZ -0.03049 0.00000 -0.00001 0.00000 0.02822 19 5YZ -0.01684 0.00000 0.00000 0.00000 -0.00889 20 2 Al 1S 0.00000 -0.00041 0.03386 0.04404 0.00002 21 2S 0.00000 0.00348 -0.16266 -0.17483 -0.00006 22 2PX -0.00002 0.00596 -0.00804 -0.05133 0.00000 23 2PY 0.00003 -0.00747 0.00729 0.02842 0.00000 24 2PZ -0.01114 0.00000 0.00000 0.00005 -0.14395 25 3S -0.00003 0.00270 0.46080 0.78377 0.00026 26 3PX 0.00004 -0.01528 0.03611 0.21223 0.00001 27 3PY -0.00008 0.01926 -0.02148 -0.10149 -0.00001 28 3PZ 0.02813 0.00000 -0.00001 -0.00017 0.49721 29 4S 0.00005 -0.05488 0.76248 0.46159 0.00020 30 4PX 0.00010 -0.04467 -0.09408 0.07717 -0.00004 31 4PY -0.00021 0.05881 0.04533 -0.01816 0.00002 32 4PZ 0.04460 0.00000 0.00001 -0.00015 0.51870 33 5XX -0.00014 0.02082 -0.01894 0.00537 0.00000 34 5YY 0.00015 -0.02819 -0.03315 -0.03026 -0.00001 35 5ZZ -0.00001 0.00580 0.05517 0.01322 0.00001 36 5XY -0.00004 0.00132 -0.01159 -0.02856 -0.00001 37 5XZ -0.03050 0.00000 -0.00001 0.00000 -0.02822 38 5YZ -0.01685 0.00000 0.00000 0.00000 0.00889 39 3 Cl 1S 0.00000 0.00000 -0.01969 -0.00001 0.01729 40 2S 0.00002 0.00000 0.08526 0.00003 -0.08057 41 2PX 0.04559 0.03044 0.00001 -0.09790 -0.00003 42 2PY 0.02794 0.03795 -0.00001 0.03647 0.00002 43 2PZ 0.00004 0.00000 0.06567 0.00001 -0.01817 44 3S -0.00003 0.00000 -0.22502 -0.00008 0.18603 45 3PX -0.11962 -0.07903 -0.00002 0.26066 0.00009 46 3PY -0.07421 -0.09891 0.00002 -0.09655 -0.00005 47 3PZ -0.00012 0.00001 -0.17643 -0.00003 0.04853 48 4S -0.00013 0.00001 -0.29917 -0.00013 0.44779 49 4PX -0.06916 -0.05505 -0.00003 0.33658 0.00011 50 4PY -0.02692 -0.05499 0.00002 -0.13367 -0.00006 51 4PZ -0.00009 0.00001 -0.23902 -0.00004 0.12970 52 5XX 0.00001 0.00000 0.02480 0.00002 -0.04853 53 5YY 0.00000 0.00000 -0.01076 0.00000 0.00204 54 5ZZ -0.00001 0.00000 0.00161 -0.00001 0.01764 55 5XY 0.00002 0.00000 -0.01852 -0.00001 0.02661 56 5XZ -0.00230 0.00063 0.00000 -0.07174 -0.00002 57 5YZ 0.00026 0.00049 0.00000 0.02677 0.00001 58 4 Cl 1S 0.00000 0.00000 -0.01969 0.00000 -0.01729 59 2S 0.00002 0.00000 0.08526 -0.00002 0.08057 60 2PX -0.04559 0.03044 0.00001 -0.09790 -0.00003 61 2PY -0.02794 0.03795 -0.00001 0.03647 0.00001 62 2PZ -0.00005 0.00000 -0.06567 0.00000 -0.01817 63 3S -0.00004 0.00000 -0.22502 0.00004 -0.18604 64 3PX 0.11962 -0.07903 -0.00001 0.26067 0.00009 65 3PY 0.07421 -0.09891 0.00002 -0.09655 -0.00002 66 3PZ 0.00012 -0.00001 0.17643 0.00000 0.04854 67 4S -0.00014 0.00001 -0.29916 0.00008 -0.44780 68 4PX 0.06916 -0.05505 -0.00001 0.33658 0.00011 69 4PY 0.02692 -0.05500 0.00002 -0.13367 -0.00002 70 4PZ 0.00009 -0.00001 0.23902 0.00000 0.12971 71 5XX 0.00001 0.00000 0.02480 -0.00001 0.04853 72 5YY 0.00000 0.00000 -0.01076 0.00000 -0.00204 73 5ZZ -0.00001 0.00000 0.00161 0.00001 -0.01764 74 5XY 0.00002 0.00000 -0.01852 0.00001 -0.02661 75 5XZ -0.00230 -0.00063 -0.00001 0.07174 0.00002 76 5YZ 0.00026 -0.00049 0.00000 -0.02677 -0.00001 77 5 Cl 1S 0.00000 0.00044 -0.01230 0.00950 0.00000 78 2S -0.00001 -0.00252 0.05598 -0.04095 -0.00002 79 2PX -0.00030 -0.06541 -0.00533 0.01066 0.00000 80 2PY -0.00015 -0.02398 0.07167 -0.06547 -0.00002 81 2PZ -0.03489 0.00000 0.00000 -0.00002 0.05950 82 3S 0.00002 0.00362 -0.13172 0.10790 0.00005 83 3PX 0.00078 0.16745 0.01604 -0.02759 0.00001 84 3PY 0.00038 0.06152 -0.19127 0.17695 0.00007 85 3PZ 0.08846 0.00001 0.00000 0.00005 -0.15807 86 4S 0.00009 0.02336 -0.25808 0.13438 0.00008 87 4PX 0.00045 0.09876 0.00406 -0.04466 0.00001 88 4PY 0.00019 0.03274 -0.23172 0.18178 0.00008 89 4PZ 0.06001 0.00000 0.00001 0.00006 -0.17957 90 5XX -0.00001 -0.00254 -0.00305 0.00710 0.00000 91 5YY 0.00001 0.00046 0.01703 -0.02199 -0.00001 92 5ZZ 0.00000 -0.00056 -0.00024 0.00867 0.00000 93 5XY 0.00001 0.00206 -0.00072 0.00779 0.00000 94 5XZ -0.00090 0.00000 0.00000 0.00000 -0.00167 95 5YZ 0.00137 0.00000 0.00000 -0.00001 0.03431 96 6 Cl 1S 0.00000 -0.00044 -0.01230 -0.00950 0.00000 97 2S -0.00001 0.00252 0.05597 0.04096 0.00002 98 2PX 0.00030 -0.06545 0.00534 0.01067 0.00000 99 2PY 0.00015 -0.02401 -0.07166 -0.06548 -0.00002 100 2PZ 0.03490 0.00000 0.00000 -0.00002 0.05950 101 3S 0.00002 -0.00363 -0.13170 -0.10792 -0.00005 102 3PX -0.00078 0.16756 -0.01607 -0.02762 0.00001 103 3PY -0.00038 0.06160 0.19125 0.17697 0.00007 104 3PZ -0.08848 0.00001 0.00000 0.00005 -0.15807 105 4S 0.00009 -0.02338 -0.25807 -0.13441 -0.00007 106 4PX -0.00045 0.09882 -0.00408 -0.04468 0.00000 107 4PY -0.00019 0.03278 0.23170 0.18181 0.00008 108 4PZ -0.06002 0.00000 -0.00001 0.00005 -0.17957 109 5XX -0.00001 0.00254 -0.00305 -0.00710 0.00000 110 5YY 0.00001 -0.00046 0.01703 0.02199 0.00001 111 5ZZ 0.00000 0.00056 -0.00024 -0.00867 0.00000 112 5XY 0.00001 -0.00206 -0.00072 -0.00779 0.00000 113 5XZ -0.00090 0.00000 0.00000 0.00000 0.00168 114 5YZ 0.00137 0.00000 0.00000 0.00001 -0.03431 115 7 Br 1S 0.00000 0.00006 0.00830 -0.00641 0.00000 116 2S 0.00000 -0.00006 -0.05463 0.04323 0.00002 117 3S 0.00000 -0.00054 0.06449 -0.05309 -0.00002 118 4S 0.00001 0.00113 0.11895 -0.09103 -0.00004 119 5S 0.00002 0.01210 -0.07336 0.11233 0.00004 120 6S -0.00008 -0.03843 -0.31447 0.07350 0.00006 121 7PX -0.00017 -0.04433 0.02414 -0.02372 -0.00001 122 7PY 0.00026 0.05541 0.01988 -0.01630 -0.00001 123 7PZ -0.07376 0.00000 0.00000 0.00001 -0.02424 124 8PX 0.00053 0.13662 -0.07487 0.07360 0.00002 125 8PY -0.00081 -0.17072 -0.06158 0.05063 0.00003 126 8PZ 0.22723 0.00001 0.00000 -0.00003 0.07515 127 9PX -0.00097 -0.24880 0.13976 -0.13828 -0.00004 128 9PY 0.00147 0.30960 0.11165 -0.09720 -0.00005 129 9PZ -0.41116 -0.00002 0.00000 0.00005 -0.13828 130 10PX -0.00080 -0.19906 0.21903 -0.19939 -0.00007 131 10PY 0.00122 0.25869 0.19859 -0.12245 -0.00008 132 10PZ -0.34666 -0.00002 0.00001 0.00007 -0.21406 133 11XX -0.00002 -0.00458 -0.03271 0.03354 0.00001 134 11YY 0.00002 0.00484 -0.02960 0.02320 0.00001 135 11ZZ 0.00000 0.00075 -0.02460 0.01586 0.00001 136 11XY 0.00001 0.00149 -0.00961 0.01263 0.00001 137 11XZ -0.00476 0.00000 0.00000 -0.00001 0.01646 138 11YZ -0.00415 0.00000 0.00000 0.00000 0.01458 139 12XX 0.00009 0.02393 0.01309 -0.00219 0.00000 140 12YY -0.00006 -0.00873 0.00634 0.02204 0.00000 141 12ZZ 0.00001 0.00506 0.00115 0.04226 0.00001 142 12XY -0.00003 -0.00518 0.01855 -0.03100 -0.00001 143 12XZ 0.01682 0.00000 0.00000 0.00001 -0.04330 144 12YZ 0.01437 0.00000 0.00000 0.00001 -0.04076 145 8 Br 1S 0.00000 -0.00006 0.00830 0.00641 0.00000 146 2S 0.00000 0.00006 -0.05462 -0.04324 -0.00002 147 3S 0.00000 0.00054 0.06448 0.05310 0.00002 148 4S 0.00001 -0.00113 0.11893 0.09105 0.00004 149 5S 0.00002 -0.01210 -0.07335 -0.11234 -0.00004 150 6S -0.00008 0.03843 -0.31444 -0.07358 -0.00006 151 7PX 0.00017 -0.04436 -0.02414 -0.02372 -0.00001 152 7PY -0.00026 0.05544 -0.01988 -0.01631 -0.00001 153 7PZ 0.07378 0.00000 0.00000 0.00001 -0.02424 154 8PX -0.00053 0.13672 0.07485 0.07360 0.00002 155 8PY 0.00081 -0.17082 0.06158 0.05065 0.00002 156 8PZ -0.22729 0.00001 0.00000 -0.00002 0.07514 157 9PX 0.00097 -0.24898 -0.13972 -0.13829 -0.00004 158 9PY -0.00147 0.30977 -0.11166 -0.09723 -0.00005 159 9PZ 0.41128 -0.00002 0.00000 0.00004 -0.13827 160 10PX 0.00080 -0.19921 -0.21897 -0.19941 -0.00007 161 10PY -0.00122 0.25884 -0.19860 -0.12251 -0.00007 162 10PZ 0.34677 -0.00002 -0.00001 0.00006 -0.21405 163 11XX -0.00002 0.00459 -0.03270 -0.03354 -0.00001 164 11YY 0.00002 -0.00484 -0.02960 -0.02321 -0.00001 165 11ZZ 0.00000 -0.00075 -0.02460 -0.01586 -0.00001 166 11XY 0.00001 -0.00149 -0.00961 -0.01264 0.00000 167 11XZ -0.00476 0.00000 0.00000 0.00000 -0.01646 168 11YZ -0.00415 0.00000 0.00000 0.00000 -0.01458 169 12XX 0.00009 -0.02394 0.01308 0.00218 0.00000 170 12YY -0.00006 0.00874 0.00635 -0.02203 0.00000 171 12ZZ 0.00001 -0.00506 0.00116 -0.04226 -0.00001 172 12XY -0.00003 0.00518 0.01855 0.03101 0.00001 173 12XZ 0.01682 0.00000 0.00000 -0.00001 0.04329 174 12YZ 0.01438 0.00000 0.00000 -0.00001 0.04076 86 87 88 89 90 V V V V V Eigenvalues -- 0.01775 0.02226 0.03209 0.03655 0.05699 1 1 Al 1S -0.00402 -0.00210 0.00000 -0.00253 -0.00243 2 2S -0.02210 0.02108 -0.00001 -0.00003 -0.00007 3 2PX -0.10559 -0.10511 0.00005 -0.05291 0.05545 4 2PY 0.06050 0.05580 -0.00003 -0.07144 0.09745 5 2PZ -0.00001 0.00007 0.13676 0.00000 0.00000 6 3S -0.25890 0.02753 -0.00004 -0.09624 -0.09672 7 3PX 0.40209 0.36565 -0.00018 0.20288 -0.21126 8 3PY -0.22750 -0.19826 0.00010 0.27040 -0.36994 9 3PZ 0.00004 -0.00026 -0.48968 0.00001 0.00000 10 4S 0.47180 -0.01171 0.00008 0.07468 0.13122 11 4PX 0.65889 0.64409 -0.00036 0.51084 -0.61590 12 4PY -0.40410 -0.34261 0.00021 0.75020 -1.24419 13 4PZ 0.00006 -0.00027 -0.74843 0.00001 -0.00002 14 5XX 0.01883 -0.02711 0.00001 -0.05733 0.06260 15 5YY -0.03966 -0.07499 0.00004 0.06035 -0.03955 16 5ZZ 0.03550 0.08994 -0.00005 0.00417 -0.00747 17 5XY -0.00716 -0.01352 0.00001 -0.06915 0.05271 18 5XZ 0.00000 -0.00002 -0.06936 0.00000 0.00000 19 5YZ 0.00000 0.00001 0.02382 0.00000 0.00001 20 2 Al 1S 0.00402 -0.00210 0.00000 0.00253 -0.00243 21 2S 0.02210 0.02108 -0.00001 0.00002 -0.00006 22 2PX -0.10559 0.10511 -0.00004 -0.05293 -0.05545 23 2PY 0.06047 -0.05582 0.00002 -0.07143 -0.09746 24 2PZ -0.00002 -0.00007 -0.13676 0.00000 0.00000 25 3S 0.25889 0.02751 -0.00010 0.09620 -0.09676 26 3PX 0.40209 -0.36564 0.00014 0.20291 0.21125 27 3PY -0.22738 0.19837 -0.00008 0.27036 0.36997 28 3PZ 0.00008 0.00026 0.48969 0.00000 0.00000 29 4S -0.47179 -0.01168 0.00008 -0.07464 0.13105 30 4PX 0.65888 -0.64409 0.00028 0.51096 0.61552 31 4PY -0.40391 0.34280 -0.00017 0.75006 1.24442 32 4PZ 0.00013 0.00030 0.74846 0.00001 0.00002 33 5XX -0.01883 -0.02708 0.00002 0.05731 0.06261 34 5YY 0.03965 -0.07502 0.00004 -0.06032 -0.03953 35 5ZZ -0.03549 0.08994 -0.00004 -0.00418 -0.00748 36 5XY 0.00716 -0.01348 0.00001 0.06918 0.05273 37 5XZ -0.00001 -0.00002 -0.06937 0.00000 0.00000 38 5YZ 0.00000 0.00001 0.02380 0.00000 0.00001 39 3 Cl 1S 0.00000 0.01540 -0.00001 0.00000 -0.00251 40 2S -0.00002 -0.07046 0.00003 0.00001 0.01245 41 2PX -0.00273 0.00005 0.08717 0.03131 0.00000 42 2PY -0.01660 0.00000 -0.03239 0.08175 0.00000 43 2PZ -0.00001 -0.08063 0.00003 0.00001 0.00655 44 3S 0.00004 0.16899 -0.00008 -0.00002 -0.02527 45 3PX -0.00259 -0.00013 -0.24197 -0.08859 0.00001 46 3PY 0.05078 0.00001 0.08890 -0.22355 0.00000 47 3PZ 0.00002 0.22703 -0.00009 -0.00003 -0.01691 48 4S 0.00013 0.49776 -0.00028 -0.00006 -0.11704 49 4PX 0.11518 -0.00018 -0.33679 -0.07851 0.00000 50 4PY -0.00034 0.00002 0.13667 -0.28717 0.00002 51 4PZ 0.00005 0.30471 -0.00014 -0.00003 -0.05557 52 5XX -0.00001 0.03028 -0.00002 0.00000 -0.05283 53 5YY 0.00000 0.00343 0.00000 0.00000 0.04966 54 5ZZ 0.00000 -0.05207 0.00002 0.00000 0.00818 55 5XY 0.00000 -0.02408 0.00001 0.00000 -0.05244 56 5XZ -0.05169 0.00002 0.02056 0.00747 0.00000 57 5YZ 0.01096 0.00000 -0.00768 0.05609 0.00000 58 4 Cl 1S 0.00000 0.01540 -0.00001 0.00000 -0.00251 59 2S 0.00001 -0.07046 0.00004 0.00001 0.01245 60 2PX -0.00274 -0.00004 -0.08716 0.03131 0.00000 61 2PY -0.01659 0.00003 0.03239 0.08175 0.00001 62 2PZ 0.00000 0.08063 -0.00003 -0.00001 -0.00655 63 3S -0.00002 0.16898 -0.00009 -0.00003 -0.02527 64 3PX -0.00257 0.00011 0.24196 -0.08859 0.00001 65 3PY 0.05077 -0.00008 -0.08890 -0.22355 -0.00003 66 3PZ -0.00001 -0.22703 0.00009 0.00003 0.01691 67 4S -0.00007 0.49774 -0.00030 -0.00010 -0.11704 68 4PX 0.11520 0.00014 0.33676 -0.07851 -0.00001 69 4PY -0.00035 -0.00012 -0.13666 -0.28717 -0.00004 70 4PZ 0.00002 -0.30471 0.00014 0.00005 0.05558 71 5XX 0.00000 0.03028 -0.00001 0.00000 -0.05283 72 5YY 0.00000 0.00343 0.00000 0.00000 0.04966 73 5ZZ 0.00000 -0.05207 0.00002 0.00001 0.00818 74 5XY -0.00001 -0.02408 0.00002 0.00000 -0.05243 75 5XZ 0.05169 0.00001 0.02055 -0.00747 0.00000 76 5YZ -0.01096 -0.00002 -0.00768 -0.05609 -0.00001 77 5 Cl 1S -0.01220 -0.00541 0.00000 0.00982 -0.01423 78 2S 0.05698 0.02642 -0.00002 -0.04799 0.07240 79 2PX 0.03711 0.04979 -0.00003 0.04714 -0.03423 80 2PY 0.03451 0.02391 -0.00002 -0.01813 0.02465 81 2PZ 0.00000 -0.00003 -0.05587 0.00000 0.00000 82 3S -0.12949 -0.05566 0.00003 0.10063 -0.13856 83 3PX -0.09823 -0.13219 0.00007 -0.12699 0.08780 84 3PY -0.09009 -0.06486 0.00004 0.04622 -0.06348 85 3PZ -0.00001 0.00007 0.14974 -0.00001 0.00001 86 4S -0.38669 -0.21825 0.00013 0.37887 -0.65154 87 4PX -0.12836 -0.17139 0.00009 -0.16599 0.18165 88 4PY -0.21061 -0.11259 0.00007 0.15030 -0.23452 89 4PZ -0.00001 0.00009 0.19427 -0.00001 0.00002 90 5XX 0.00215 -0.00812 0.00000 -0.01434 0.01358 91 5YY 0.00882 0.01578 -0.00001 -0.00654 0.00904 92 5ZZ 0.00736 0.00530 0.00000 -0.00086 0.01231 93 5XY 0.02915 0.03205 -0.00002 0.02851 -0.02996 94 5XZ 0.00000 0.00000 -0.00280 0.00000 0.00000 95 5YZ 0.00000 -0.00002 -0.04207 0.00000 0.00000 96 6 Cl 1S 0.01219 -0.00541 0.00000 -0.00982 -0.01423 97 2S -0.05697 0.02644 -0.00001 0.04797 0.07241 98 2PX 0.03710 -0.04977 0.00002 0.04715 0.03424 99 2PY 0.03451 -0.02393 0.00001 -0.01812 -0.02465 100 2PZ 0.00001 0.00003 0.05587 0.00000 0.00000 101 3S 0.12947 -0.05571 0.00002 -0.10060 -0.13860 102 3PX -0.09821 0.13215 -0.00006 -0.12703 -0.08782 103 3PY -0.09008 0.06491 -0.00004 0.04618 0.06347 104 3PZ -0.00002 -0.00007 -0.14974 -0.00001 -0.00001 105 4S 0.38661 -0.21842 0.00010 -0.37877 -0.65158 106 4PX -0.12833 0.17133 -0.00007 -0.16605 -0.18166 107 4PY -0.21059 0.11269 -0.00006 0.15024 0.23451 108 4PZ -0.00003 -0.00009 -0.19428 -0.00001 -0.00002 109 5XX -0.00215 -0.00812 0.00001 0.01435 0.01359 110 5YY -0.00882 0.01579 -0.00001 0.00653 0.00903 111 5ZZ -0.00736 0.00530 0.00000 0.00085 0.01231 112 5XY -0.02915 0.03204 -0.00001 -0.02852 -0.02996 113 5XZ 0.00000 0.00000 -0.00279 0.00000 0.00000 114 5YZ -0.00001 -0.00002 -0.04207 0.00000 0.00000 115 7 Br 1S 0.00584 0.00227 0.00000 0.00890 -0.00951 116 2S -0.03817 -0.01432 0.00001 -0.05736 0.06090 117 3S 0.04450 0.01554 -0.00001 0.06504 -0.06811 118 4S 0.08458 0.03401 -0.00002 0.13097 -0.14117 119 5S -0.01924 0.02612 -0.00001 0.03783 -0.11190 120 6S -0.36662 -0.25237 0.00012 -0.77723 1.05621 121 7PX -0.00548 -0.01042 0.00001 0.01628 -0.01622 122 7PY 0.02198 0.02049 -0.00001 -0.00172 -0.00233 123 7PZ 0.00000 0.00001 0.02278 0.00000 0.00000 124 8PX 0.01705 0.03236 -0.00002 -0.05041 0.05014 125 8PY -0.06815 -0.06354 0.00003 0.00553 0.00717 126 8PZ 0.00001 -0.00003 -0.07070 0.00000 0.00000 127 9PX -0.03464 -0.05963 0.00003 0.08536 -0.07806 128 9PY 0.12089 0.11525 -0.00006 -0.02016 -0.00893 129 9PZ -0.00001 0.00006 0.13054 0.00000 0.00000 130 10PX 0.00490 -0.08086 0.00004 0.27838 -0.34792 131 10PY 0.27749 0.22948 -0.00012 0.09752 -0.11479 132 10PZ -0.00002 0.00010 0.22945 0.00001 -0.00001 133 11XX 0.00025 0.01371 -0.00001 -0.03942 0.04404 134 11YY -0.03810 -0.02619 0.00001 -0.02172 0.01789 135 11ZZ -0.02172 -0.00809 0.00000 -0.02557 0.02864 136 11XY -0.00520 -0.00898 0.00001 0.00328 0.00575 137 11XZ 0.00000 -0.00001 -0.01868 0.00000 0.00000 138 11YZ 0.00000 -0.00001 -0.02098 0.00000 0.00000 139 12XX -0.04325 -0.03535 0.00002 0.08583 -0.12585 140 12YY 0.06709 0.07757 -0.00004 0.04019 -0.05462 141 12ZZ 0.03132 0.03027 -0.00001 0.05404 -0.09682 142 12XY 0.00706 0.02618 -0.00002 -0.02109 -0.00654 143 12XZ -0.00001 0.00002 0.05185 0.00000 0.00000 144 12YZ 0.00000 0.00003 0.06532 0.00000 0.00000 145 8 Br 1S -0.00584 0.00227 0.00000 -0.00890 -0.00951 146 2S 0.03817 -0.01431 0.00001 0.05736 0.06089 147 3S -0.04450 0.01553 -0.00001 -0.06504 -0.06810 148 4S -0.08458 0.03398 -0.00001 -0.13098 -0.14116 149 5S 0.01922 0.02610 -0.00001 -0.03782 -0.11195 150 6S 0.36667 -0.25217 0.00010 0.77723 1.05629 151 7PX -0.00548 0.01043 0.00000 0.01628 0.01622 152 7PY 0.02198 -0.02049 0.00001 -0.00171 0.00233 153 7PZ 0.00000 -0.00001 -0.02278 0.00000 0.00000 154 8PX 0.01705 -0.03239 0.00001 -0.05040 -0.05015 155 8PY -0.06814 0.06355 -0.00003 0.00550 -0.00718 156 8PZ 0.00001 0.00003 0.07070 0.00000 0.00000 157 9PX -0.03463 0.05968 -0.00002 0.08534 0.07806 158 9PY 0.12087 -0.11526 0.00006 -0.02011 0.00895 159 9PZ -0.00002 -0.00006 -0.13055 0.00000 0.00000 160 10PX 0.00491 0.08099 -0.00003 0.27833 0.34795 161 10PY 0.27747 -0.22947 0.00011 0.09761 0.11482 162 10PZ -0.00004 -0.00011 -0.22946 0.00001 0.00001 163 11XX -0.00024 0.01372 -0.00001 0.03942 0.04404 164 11YY 0.03810 -0.02619 0.00001 0.02173 0.01788 165 11ZZ 0.02172 -0.00809 0.00000 0.02557 0.02864 166 11XY 0.00519 -0.00898 0.00001 -0.00328 0.00576 167 11XZ 0.00000 -0.00001 -0.01868 0.00000 0.00000 168 11YZ 0.00000 -0.00001 -0.02098 0.00000 0.00000 169 12XX 0.04323 -0.03539 0.00001 -0.08581 -0.12587 170 12YY -0.06709 0.07757 -0.00004 -0.04021 -0.05464 171 12ZZ -0.03132 0.03025 -0.00001 -0.05404 -0.09684 172 12XY -0.00704 0.02617 -0.00002 0.02108 -0.00656 173 12XZ 0.00001 0.00002 0.05185 0.00000 0.00000 174 12YZ 0.00001 0.00003 0.06533 0.00000 0.00000 91 92 93 94 95 V V V V V Eigenvalues -- 0.08160 0.11842 0.12707 0.14900 0.15202 1 1 Al 1S -0.03792 0.00000 -0.01539 0.00000 -0.00900 2 2S 0.02944 -0.00001 0.01861 0.00001 0.00599 3 2PX 0.01676 0.00000 0.16737 0.00002 -0.01474 4 2PY -0.00302 0.00000 -0.00186 0.00005 -0.17630 5 2PZ -0.00001 0.16215 -0.00001 0.16028 0.00005 6 3S -1.33663 0.00004 -0.53254 0.00017 -0.31686 7 3PX -0.07385 0.00001 -0.81990 -0.00014 0.07979 8 3PY 0.02726 0.00000 0.02365 -0.00027 0.94576 9 3PZ 0.00003 -0.84495 0.00006 -0.84569 -0.00027 10 4S 1.53547 -0.00001 0.18255 -0.00039 0.17002 11 4PX 0.18060 -0.00007 1.01088 0.00026 0.03832 12 4PY 0.18802 0.00000 -0.16849 0.00015 -0.81185 13 4PZ 0.00005 1.11285 -0.00012 1.02538 0.00031 14 5XX 0.06727 0.00000 0.04675 0.00002 -0.06494 15 5YY 0.06540 0.00001 0.04424 -0.00002 0.07197 16 5ZZ 0.04525 0.00000 0.01845 0.00000 0.00020 17 5XY 0.00561 0.00001 0.05049 0.00002 -0.04965 18 5XZ 0.00001 0.08363 0.00000 -0.04721 -0.00002 19 5YZ 0.00000 -0.03927 0.00000 0.00727 -0.00001 20 2 Al 1S -0.03792 0.00000 0.01540 0.00000 0.00900 21 2S 0.02944 -0.00001 -0.01861 -0.00001 -0.00599 22 2PX -0.01675 0.00000 0.16736 0.00003 -0.01474 23 2PY 0.00303 0.00000 -0.00187 0.00005 -0.17630 24 2PZ 0.00001 -0.16215 -0.00002 0.16028 0.00005 25 3S -1.33663 -0.00002 0.53259 -0.00019 0.31688 26 3PX 0.07382 0.00001 -0.81984 -0.00016 0.07979 27 3PY -0.02726 0.00000 0.02366 -0.00027 0.94579 28 3PZ -0.00002 0.84494 0.00009 -0.84572 -0.00026 29 4S 1.53551 0.00012 -0.18259 0.00041 -0.17006 30 4PX -0.18053 0.00011 1.01085 0.00033 0.03834 31 4PY -0.18804 -0.00003 -0.16838 0.00015 -0.81186 32 4PZ -0.00005 -1.11282 -0.00014 1.02539 0.00031 33 5XX 0.06726 -0.00001 -0.04672 -0.00003 0.06492 34 5YY 0.06541 0.00001 -0.04426 0.00002 -0.07195 35 5ZZ 0.04525 0.00000 -0.01845 0.00001 -0.00020 36 5XY 0.00561 0.00001 -0.05048 -0.00001 0.04969 37 5XZ 0.00001 0.08363 0.00000 0.04721 0.00002 38 5YZ 0.00000 -0.03927 0.00000 -0.00728 0.00000 39 3 Cl 1S -0.00264 0.00000 0.00000 0.00303 0.00000 40 2S 0.02272 0.00001 0.00000 -0.01306 0.00000 41 2PX -0.00001 0.02608 0.02036 0.00000 0.00878 42 2PY 0.00000 -0.00786 -0.01222 0.00000 0.00246 43 2PZ -0.04997 0.00000 -0.00001 0.06601 0.00002 44 3S -0.00250 -0.00001 0.00000 0.03508 0.00000 45 3PX 0.00001 -0.06660 -0.05382 0.00001 -0.02899 46 3PY -0.00001 0.01771 0.03486 0.00001 -0.01082 47 3PZ 0.15638 0.00000 0.00002 -0.20196 -0.00008 48 4S -0.45002 -0.00010 -0.00005 0.34304 0.00013 49 4PX 0.00003 -0.06079 -0.12445 -0.00001 0.01556 50 4PY -0.00001 0.03068 0.02132 -0.00003 0.09978 51 4PZ -0.08813 -0.00006 -0.00001 -0.11142 -0.00003 52 5XX 0.00061 0.00000 -0.00001 0.03556 0.00002 53 5YY 0.03814 0.00001 0.00001 -0.04137 -0.00002 54 5ZZ -0.01601 0.00000 0.00001 0.00610 0.00000 55 5XY 0.03188 -0.00001 0.00000 -0.03941 -0.00001 56 5XZ 0.00000 0.11165 0.03546 0.00001 0.02177 57 5YZ 0.00000 -0.04414 -0.03224 -0.00002 0.04469 58 4 Cl 1S -0.00264 0.00000 0.00000 -0.00303 0.00000 59 2S 0.02272 0.00001 0.00000 0.01306 0.00001 60 2PX 0.00001 -0.02608 0.02036 0.00000 0.00878 61 2PY 0.00000 0.00786 -0.01222 0.00000 0.00246 62 2PZ 0.04997 0.00000 -0.00001 0.06601 0.00002 63 3S -0.00250 -0.00001 0.00000 -0.03509 -0.00002 64 3PX -0.00002 0.06660 -0.05382 0.00001 -0.02899 65 3PY 0.00000 -0.01771 0.03485 0.00000 -0.01082 66 3PZ -0.15637 -0.00001 0.00003 -0.20197 -0.00005 67 4S -0.45001 -0.00011 0.00007 -0.34308 -0.00008 68 4PX -0.00003 0.06079 -0.12444 -0.00002 0.01557 69 4PY 0.00002 -0.03068 0.02132 -0.00003 0.09978 70 4PZ 0.08814 0.00007 -0.00001 -0.11141 -0.00004 71 5XX 0.00062 0.00001 0.00000 -0.03556 -0.00001 72 5YY 0.03814 0.00000 0.00000 0.04138 0.00001 73 5ZZ -0.01601 0.00000 0.00000 -0.00610 0.00000 74 5XY 0.03188 0.00000 -0.00001 0.03941 0.00000 75 5XZ -0.00001 0.11164 -0.03545 -0.00001 -0.02177 76 5YZ 0.00000 -0.04414 0.03224 0.00002 -0.04469 77 5 Cl 1S -0.00246 0.00000 -0.00251 0.00000 -0.00017 78 2S 0.00877 0.00000 0.00743 0.00000 -0.00603 79 2PX -0.00188 0.00000 -0.00199 0.00000 -0.00092 80 2PY -0.03478 0.00000 -0.01857 0.00002 -0.05789 81 2PZ 0.00000 0.01438 0.00000 0.01834 0.00001 82 3S -0.03215 -0.00001 -0.03738 0.00000 -0.01695 83 3PX 0.00957 0.00001 0.00914 0.00000 0.00774 84 3PY 0.10053 0.00000 0.05305 -0.00005 0.16012 85 3PZ -0.00001 -0.03836 0.00001 -0.05628 -0.00002 86 4S -0.12005 -0.00001 -0.06720 0.00004 -0.06881 87 4PX -0.03304 0.00001 -0.06692 -0.00001 -0.04306 88 4PY 0.03614 -0.00001 0.04186 -0.00006 0.26806 89 4PZ -0.00001 -0.09700 0.00001 -0.06006 -0.00003 90 5XX 0.02585 0.00000 0.02314 -0.00001 0.03960 91 5YY -0.05121 0.00000 -0.03986 0.00002 -0.09607 92 5ZZ 0.02083 0.00000 0.01068 -0.00001 0.03895 93 5XY 0.00766 0.00000 -0.02881 -0.00001 0.02584 94 5XZ 0.00000 0.00675 0.00000 -0.00080 0.00000 95 5YZ 0.00001 -0.01737 0.00000 -0.02718 0.00000 96 6 Cl 1S -0.00246 0.00000 0.00251 0.00000 0.00017 97 2S 0.00877 0.00000 -0.00742 0.00000 0.00603 98 2PX 0.00188 0.00001 -0.00199 0.00000 -0.00091 99 2PY 0.03478 0.00000 -0.01858 0.00002 -0.05789 100 2PZ 0.00000 -0.01439 0.00000 0.01833 0.00001 101 3S -0.03213 -0.00001 0.03736 0.00000 0.01694 102 3PX -0.00954 -0.00002 0.00914 -0.00001 0.00770 103 3PY -0.10054 0.00000 0.05308 -0.00005 0.16012 104 3PZ 0.00001 0.03837 0.00001 -0.05627 -0.00002 105 4S -0.12006 -0.00002 0.06718 -0.00004 0.06881 106 4PX 0.03305 -0.00002 -0.06693 -0.00002 -0.04310 107 4PY -0.03614 0.00001 0.04189 -0.00006 0.26806 108 4PZ 0.00001 0.09699 0.00001 -0.06006 -0.00002 109 5XX 0.02585 0.00000 -0.02315 0.00001 -0.03960 110 5YY -0.05120 0.00000 0.03987 -0.00002 0.09606 111 5ZZ 0.02083 0.00000 -0.01068 0.00001 -0.03895 112 5XY 0.00767 0.00000 0.02879 0.00001 -0.02586 113 5XZ 0.00000 0.00675 0.00000 0.00080 0.00000 114 5YZ 0.00001 -0.01737 0.00000 0.02718 0.00000 115 7 Br 1S 0.00359 0.00000 0.00061 0.00000 0.00053 116 2S -0.02372 0.00000 -0.00479 0.00000 -0.00327 117 3S 0.02816 0.00000 0.00741 0.00000 0.00329 118 4S 0.05210 0.00000 0.00733 0.00000 0.00849 119 5S 0.03276 -0.00001 -0.02922 -0.00003 0.01185 120 6S -0.46080 0.00003 -0.10258 0.00006 0.00070 121 7PX -0.00790 0.00000 -0.01368 0.00000 0.00570 122 7PY -0.01045 0.00000 -0.01151 0.00000 0.00788 123 7PZ 0.00000 -0.00643 0.00000 -0.00722 0.00000 124 8PX 0.02468 0.00000 0.04250 0.00001 -0.01760 125 8PY 0.03269 0.00000 0.03591 0.00001 -0.02461 126 8PZ 0.00000 0.02002 0.00000 0.02267 0.00001 127 9PX -0.05469 0.00001 -0.07562 -0.00001 0.02614 128 9PY -0.07269 -0.00001 -0.07247 -0.00002 0.04896 129 9PZ -0.00001 -0.03614 0.00001 -0.05068 -0.00001 130 10PX 0.03338 0.00001 -0.18624 -0.00008 0.09989 131 10PY 0.00885 0.00000 -0.06593 -0.00004 0.11860 132 10PZ -0.00001 -0.11903 0.00001 -0.08430 -0.00002 133 11XX -0.00113 0.00000 0.00372 0.00001 -0.02946 134 11YY -0.00749 0.00000 0.01006 0.00000 0.01454 135 11ZZ -0.02925 0.00000 -0.02418 -0.00001 0.01055 136 11XY 0.03093 0.00000 0.04440 0.00001 -0.01614 137 11XZ 0.00000 -0.01104 0.00000 -0.01209 -0.00001 138 11YZ 0.00000 -0.00359 0.00000 -0.01265 0.00000 139 12XX -0.01670 0.00000 -0.02915 -0.00004 0.10898 140 12YY 0.00631 -0.00001 -0.06908 0.00000 -0.05277 141 12ZZ 0.07818 -0.00001 0.04404 0.00000 -0.02410 142 12XY -0.10449 0.00000 -0.14161 -0.00003 0.04246 143 12XZ -0.00001 0.04679 -0.00001 0.04941 0.00002 144 12YZ -0.00001 0.01613 -0.00001 0.05129 0.00002 145 8 Br 1S 0.00359 0.00000 -0.00061 0.00000 -0.00053 146 2S -0.02372 0.00000 0.00480 0.00000 0.00328 147 3S 0.02816 0.00000 -0.00742 0.00000 -0.00329 148 4S 0.05210 0.00000 -0.00735 0.00000 -0.00849 149 5S 0.03274 0.00000 0.02928 0.00002 -0.01184 150 6S -0.46077 0.00001 0.10251 -0.00002 -0.00071 151 7PX 0.00790 0.00000 -0.01367 0.00000 0.00570 152 7PY 0.01046 0.00000 -0.01151 0.00000 0.00788 153 7PZ 0.00000 0.00643 0.00000 -0.00722 0.00000 154 8PX -0.02467 0.00000 0.04248 0.00001 -0.01760 155 8PY -0.03270 -0.00001 0.03592 0.00001 -0.02462 156 8PZ 0.00000 -0.02001 0.00000 0.02268 0.00000 157 9PX 0.05467 -0.00001 -0.07559 -0.00002 0.02614 158 9PY 0.07269 0.00001 -0.07249 -0.00001 0.04898 159 9PZ 0.00001 0.03612 0.00001 -0.05068 -0.00001 160 10PX -0.03339 -0.00002 -0.18618 -0.00008 0.09990 161 10PY -0.00886 0.00001 -0.06594 -0.00004 0.11864 162 10PZ 0.00001 0.11903 0.00001 -0.08430 -0.00002 163 11XX -0.00114 0.00000 -0.00370 -0.00001 0.02945 164 11YY -0.00749 0.00000 -0.01007 0.00000 -0.01453 165 11ZZ -0.02925 0.00000 0.02419 0.00001 -0.01055 166 11XY 0.03093 0.00000 -0.04440 -0.00001 0.01615 167 11XZ 0.00000 -0.01104 0.00000 0.01208 0.00001 168 11YZ 0.00000 -0.00360 0.00000 0.01265 0.00000 169 12XX -0.01668 0.00000 0.02913 0.00004 -0.10897 170 12YY 0.00629 -0.00001 0.06915 -0.00001 0.05275 171 12ZZ 0.07818 0.00000 -0.04401 0.00000 0.02411 172 12XY -0.10449 -0.00001 0.14160 0.00003 -0.04250 173 12XZ -0.00001 0.04679 0.00001 -0.04940 -0.00002 174 12YZ -0.00001 0.01613 0.00001 -0.05130 -0.00002 96 97 98 99 100 V V V V V Eigenvalues -- 0.16801 0.17976 0.19317 0.26130 0.29494 1 1 Al 1S 0.00609 -0.00291 0.01473 -0.00148 0.00000 2 2S 0.01568 0.01737 0.13149 -0.00840 0.00000 3 2PX 0.16162 0.03996 0.01753 -0.03382 0.00000 4 2PY 0.04324 -0.16630 -0.02271 -0.00332 0.00000 5 2PZ 0.00001 0.00001 -0.00002 0.00000 0.02462 6 3S 0.28984 -0.03182 1.20233 -0.11330 0.00001 7 3PX -0.87944 -0.25808 -0.23464 0.15965 -0.00001 8 3PY -0.20722 0.92621 0.18565 0.02027 0.00000 9 3PZ -0.00006 -0.00004 0.00009 -0.00002 -0.12615 10 4S -0.20668 0.01381 -4.10955 0.04900 0.00001 11 4PX 1.14689 0.22390 2.31351 -0.15276 -0.00003 12 4PY 0.50089 -1.29962 -0.92117 0.01150 0.00002 13 4PZ 0.00005 0.00003 -0.00017 0.00007 -0.14350 14 5XX 0.10058 -0.00741 0.06600 0.44903 0.00002 15 5YY -0.02068 0.04208 -0.11791 -0.04010 0.00001 16 5ZZ -0.04233 -0.03710 -0.07137 -0.38055 -0.00002 17 5XY 0.00291 -0.06737 -0.10060 -0.22317 -0.00003 18 5XZ -0.00001 -0.00001 0.00001 -0.00003 0.22594 19 5YZ 0.00000 0.00000 0.00000 -0.00001 0.31969 20 2 Al 1S 0.00609 -0.00291 -0.01473 -0.00148 0.00000 21 2S 0.01567 0.01739 -0.13149 -0.00840 0.00000 22 2PX -0.16163 -0.03997 0.01753 0.03381 0.00000 23 2PY -0.04325 0.16630 -0.02269 0.00331 0.00000 24 2PZ 0.00000 0.00000 -0.00001 0.00000 -0.02461 25 3S 0.28967 -0.03164 -1.20235 -0.11325 0.00002 26 3PX 0.87948 0.25817 -0.23468 -0.15963 0.00001 27 3PY 0.20724 -0.92619 0.18552 -0.02021 0.00000 28 3PZ 0.00002 0.00002 0.00006 0.00000 0.12608 29 4S -0.20626 0.01327 4.10958 0.04892 -0.00004 30 4PX -1.14675 -0.22424 2.31347 0.15271 0.00000 31 4PY -0.50096 1.29973 -0.92116 -0.01149 -0.00001 32 4PZ -0.00001 -0.00002 -0.00011 -0.00005 0.14355 33 5XX 0.10057 -0.00741 -0.06600 0.44906 0.00002 34 5YY -0.02067 0.04206 0.11792 -0.04013 0.00001 35 5ZZ -0.04232 -0.03711 0.07136 -0.38055 -0.00002 36 5XY 0.00292 -0.06739 0.10058 -0.22313 -0.00002 37 5XZ 0.00000 0.00000 -0.00001 -0.00001 0.22583 38 5YZ 0.00000 0.00000 0.00000 -0.00001 0.31947 39 3 Cl 1S -0.00491 -0.00185 0.00000 0.00184 0.00000 40 2S 0.01081 0.00197 0.00000 -0.00092 0.00000 41 2PX 0.00000 0.00000 -0.06490 0.00001 -0.03683 42 2PY 0.00000 0.00000 0.02536 0.00001 -0.10632 43 2PZ 0.05531 0.02981 0.00000 0.05709 0.00001 44 3S -0.08765 -0.03857 0.00001 0.04137 0.00000 45 3PX 0.00000 -0.00001 0.20788 -0.00002 0.15315 46 3PY 0.00000 0.00001 -0.07962 -0.00003 0.37449 47 3PZ -0.16251 -0.08878 0.00002 -0.18872 -0.00002 48 4S 0.39954 0.26666 -0.00001 -0.11482 -0.00001 49 4PX 0.00000 -0.00004 0.30634 0.00005 -0.28783 50 4PY 0.00001 0.00001 -0.13591 0.00001 -0.22645 51 4PZ -0.04073 -0.01059 -0.00003 0.06509 0.00000 52 5XX -0.01041 -0.00242 0.00000 -0.12324 -0.00003 53 5YY -0.06602 -0.04758 0.00000 -0.00893 0.00002 54 5ZZ 0.06913 0.04416 0.00001 0.13968 0.00001 55 5XY -0.03572 -0.01067 0.00000 0.06482 -0.00002 56 5XZ 0.00000 0.00001 0.06267 0.00000 0.03111 57 5YZ -0.00001 0.00000 -0.02027 0.00000 -0.06264 58 4 Cl 1S -0.00491 -0.00185 0.00000 0.00184 0.00000 59 2S 0.01081 0.00197 0.00000 -0.00092 0.00000 60 2PX 0.00000 0.00000 -0.06489 0.00000 0.03683 61 2PY 0.00000 0.00000 0.02536 0.00000 0.10632 62 2PZ -0.05531 -0.02980 -0.00001 -0.05708 0.00000 63 3S -0.08765 -0.03858 -0.00002 0.04137 0.00001 64 3PX 0.00001 -0.00001 0.20788 0.00000 -0.15314 65 3PY 0.00000 0.00000 -0.07961 -0.00001 -0.37449 66 3PZ 0.16250 0.08878 0.00002 0.18871 -0.00001 67 4S 0.39953 0.26666 0.00001 -0.11483 -0.00005 68 4PX 0.00006 0.00000 0.30635 -0.00004 0.28781 69 4PY -0.00002 0.00001 -0.13591 0.00002 0.22646 70 4PZ 0.04071 0.01058 -0.00003 -0.06508 0.00003 71 5XX -0.01041 -0.00242 0.00000 -0.12324 0.00002 72 5YY -0.06602 -0.04758 0.00000 -0.00893 -0.00002 73 5ZZ 0.06913 0.04415 -0.00001 0.13968 0.00001 74 5XY -0.03571 -0.01067 0.00000 0.06481 0.00002 75 5XZ 0.00001 0.00001 -0.06267 0.00000 0.03111 76 5YZ 0.00000 0.00001 0.02027 0.00000 -0.06264 77 5 Cl 1S 0.00448 0.00094 0.00528 -0.00199 0.00000 78 2S -0.01575 -0.00100 -0.03124 0.00172 0.00000 79 2PX 0.02226 0.03887 0.04902 0.02692 0.00000 80 2PY 0.01621 -0.05522 0.00943 0.00592 0.00000 81 2PZ 0.00000 0.00000 0.00000 0.00000 -0.06694 82 3S 0.06171 0.01965 0.04096 -0.04087 0.00001 83 3PX -0.06709 -0.12411 -0.13632 -0.08633 -0.00001 84 3PY -0.04864 0.15561 -0.04662 -0.02237 0.00000 85 3PZ 0.00000 0.00000 0.00001 -0.00001 0.22515 86 4S 0.12642 -0.28835 0.32747 0.06612 -0.00001 87 4PX -0.08469 -0.00444 -0.26630 0.01658 0.00001 88 4PY -0.00643 0.22492 0.26147 0.03334 0.00001 89 4PZ 0.00000 -0.00001 0.00000 0.00000 -0.07282 90 5XX -0.00562 0.03614 0.00464 0.00727 0.00000 91 5YY 0.02416 -0.08748 0.00233 -0.00056 0.00000 92 5ZZ -0.01396 0.05408 -0.02521 -0.01910 0.00000 93 5XY -0.02601 0.02468 0.03883 0.05837 0.00001 94 5XZ 0.00000 0.00000 0.00000 0.00000 0.02320 95 5YZ 0.00000 0.00000 0.00000 0.00000 -0.07875 96 6 Cl 1S 0.00448 0.00093 -0.00528 -0.00200 0.00000 97 2S -0.01575 -0.00100 0.03123 0.00172 0.00000 98 2PX -0.02226 -0.03887 0.04903 -0.02693 0.00000 99 2PY -0.01620 0.05521 0.00944 -0.00592 0.00000 100 2PZ 0.00000 0.00000 0.00000 0.00000 0.06690 101 3S 0.06169 0.01962 -0.04097 -0.04088 0.00002 102 3PX 0.06709 0.12411 -0.13634 0.08634 0.00001 103 3PY 0.04863 -0.15559 -0.04663 0.02238 0.00000 104 3PZ 0.00000 0.00000 0.00001 0.00001 -0.22504 105 4S 0.12636 -0.28830 -0.32733 0.06610 0.00000 106 4PX 0.08467 0.00449 -0.26631 -0.01659 0.00000 107 4PY 0.00644 -0.22492 0.26138 -0.03329 -0.00001 108 4PZ 0.00000 0.00001 0.00000 0.00000 0.07278 109 5XX -0.00561 0.03614 -0.00462 0.00726 0.00000 110 5YY 0.02415 -0.08747 -0.00236 -0.00054 0.00000 111 5ZZ -0.01396 0.05407 0.02521 -0.01910 0.00000 112 5XY -0.02601 0.02470 -0.03883 0.05837 0.00001 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.02319 114 5YZ 0.00000 0.00000 0.00000 0.00000 -0.07869 115 7 Br 1S -0.00122 -0.00236 -0.00263 0.00443 0.00000 116 2S 0.01164 0.01681 0.01619 -0.03456 -0.00001 117 3S -0.02093 -0.02235 -0.01698 0.05167 0.00001 118 4S -0.01406 -0.03340 -0.03932 0.05923 0.00001 119 5S 0.23789 0.04573 -0.06752 -0.33750 -0.00007 120 6S -0.71943 0.13937 0.39698 0.59134 0.00014 121 7PX -0.02097 0.00119 -0.01131 -0.00594 0.00000 122 7PY 0.00038 0.01029 0.01543 0.00487 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 -0.01278 124 8PX 0.06574 -0.00369 0.03503 0.01883 0.00000 125 8PY -0.00147 -0.03225 -0.04834 -0.01507 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.04034 127 9PX -0.14402 0.00877 -0.04907 -0.05449 -0.00001 128 9PY 0.01718 0.07090 0.10685 0.02078 -0.00001 129 9PZ 0.00000 0.00000 0.00001 0.00000 -0.09978 130 10PX -0.12831 -0.04500 -0.34456 0.06183 0.00001 131 10PY -0.06705 0.09076 0.08429 0.07980 0.00000 132 10PZ 0.00000 0.00000 0.00001 0.00000 0.01716 133 11XX 0.03426 -0.01523 0.02023 0.00662 -0.00001 134 11YY 0.01286 0.02057 -0.02732 -0.07989 -0.00001 135 11ZZ -0.01575 0.02581 0.02852 -0.00054 0.00000 136 11XY 0.02889 -0.01254 -0.00509 -0.01234 0.00000 137 11XZ 0.00000 0.00000 0.00000 -0.00001 0.07062 138 11YZ 0.00000 0.00000 0.00000 -0.00001 0.02807 139 12XX 0.02253 0.11766 -0.06916 -0.26946 -0.00002 140 12YY 0.09167 -0.02829 0.08227 0.09288 -0.00002 141 12ZZ 0.18743 -0.03972 -0.13502 -0.23416 -0.00005 142 12XY -0.08456 0.03774 0.02552 0.03683 0.00000 143 12XZ 0.00000 0.00001 -0.00001 0.00002 -0.30624 144 12YZ 0.00000 0.00000 0.00000 0.00002 -0.11783 145 8 Br 1S -0.00122 -0.00236 0.00263 0.00443 0.00000 146 2S 0.01165 0.01682 -0.01619 -0.03455 -0.00001 147 3S -0.02094 -0.02235 0.01698 0.05167 0.00001 148 4S -0.01407 -0.03341 0.03933 0.05922 0.00001 149 5S 0.23801 0.04572 0.06761 -0.33747 -0.00009 150 6S -0.71965 0.13947 -0.39729 0.59130 0.00018 151 7PX 0.02097 -0.00119 -0.01131 0.00594 0.00000 152 7PY -0.00038 -0.01029 0.01542 -0.00487 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.01278 154 8PX -0.06574 0.00369 0.03503 -0.01884 0.00000 155 8PY 0.00146 0.03225 -0.04833 0.01507 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 -0.04032 157 9PX 0.14404 -0.00877 -0.04906 0.05448 0.00001 158 9PY -0.01718 -0.07090 0.10683 -0.02078 0.00001 159 9PZ 0.00000 0.00000 0.00001 0.00000 0.09973 160 10PX 0.12829 0.04505 -0.34464 -0.06178 0.00000 161 10PY 0.06706 -0.09076 0.08421 -0.07978 0.00000 162 10PZ 0.00000 0.00000 0.00001 0.00000 -0.01717 163 11XX 0.03426 -0.01522 -0.02023 0.00664 -0.00001 164 11YY 0.01288 0.02057 0.02732 -0.07990 -0.00001 165 11ZZ -0.01574 0.02581 -0.02853 -0.00054 0.00000 166 11XY 0.02889 -0.01255 0.00508 -0.01232 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.07058 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.02806 169 12XX 0.02259 0.11765 0.06920 -0.26947 -0.00003 170 12YY 0.09170 -0.02828 -0.08223 0.09291 -0.00003 171 12ZZ 0.18749 -0.03974 0.13507 -0.23414 -0.00006 172 12XY -0.08457 0.03776 -0.02548 0.03677 0.00000 173 12XZ 0.00000 0.00000 0.00001 0.00002 -0.30609 174 12YZ 0.00000 0.00000 0.00000 0.00001 -0.11780 101 102 103 104 105 V V V V V Eigenvalues -- 0.29692 0.31337 0.31441 0.33150 0.33778 1 1 Al 1S 0.00000 0.00439 0.00145 -0.00220 -0.00378 2 2S 0.00000 0.00920 0.00593 -0.00926 -0.07186 3 2PX 0.00000 0.00400 -0.00945 0.00981 0.01156 4 2PY 0.00000 0.03737 0.02997 -0.02485 -0.02212 5 2PZ -0.03406 0.00000 0.00000 0.00000 0.00001 6 3S -0.00001 0.21311 0.07927 -0.10522 -0.46135 7 3PX 0.00000 -0.01414 0.11503 -0.00166 -0.06207 8 3PY -0.00001 -0.30945 -0.31697 0.26958 0.23427 9 3PZ 0.18225 0.00003 0.00003 0.00001 -0.00005 10 4S -0.00003 0.10634 0.00621 -0.23166 0.97468 11 4PX 0.00000 0.22215 0.00638 0.04438 -0.54281 12 4PY 0.00002 -0.11821 -0.31827 -0.08481 0.35818 13 4PZ -0.07434 0.00000 0.00005 0.00001 0.00002 14 5XX 0.00002 -0.23204 -0.17321 0.09276 0.05100 15 5YY -0.00002 0.25833 0.36692 -0.19321 -0.33742 16 5ZZ 0.00000 -0.01209 -0.19290 0.02297 0.24541 17 5XY 0.00001 -0.21632 0.09364 0.39646 -0.20969 18 5XZ -0.23574 -0.00002 -0.00002 -0.00001 0.00000 19 5YZ -0.44646 -0.00004 0.00001 0.00002 0.00000 20 2 Al 1S 0.00000 -0.00439 0.00145 -0.00220 0.00378 21 2S 0.00000 -0.00920 0.00593 -0.00929 0.07185 22 2PX 0.00000 0.00399 0.00946 -0.00981 0.01156 23 2PY 0.00000 0.03737 -0.02997 0.02486 -0.02211 24 2PZ -0.03408 0.00000 0.00000 0.00000 0.00000 25 3S 0.00001 -0.21309 0.07933 -0.10544 0.46131 26 3PX 0.00000 -0.01411 -0.11508 0.00172 -0.06208 27 3PY 0.00002 -0.30941 0.31701 -0.26968 0.23416 28 3PZ 0.18234 0.00003 -0.00002 0.00000 -0.00004 29 4S 0.00003 -0.10637 0.00617 -0.23111 -0.97486 30 4PX 0.00000 0.22212 -0.00651 -0.04411 -0.54282 31 4PY 0.00002 -0.11813 0.31832 0.08465 0.35824 32 4PZ -0.07439 -0.00001 -0.00005 -0.00002 0.00001 33 5XX -0.00003 0.23197 -0.17329 0.09276 -0.05101 34 5YY 0.00003 -0.25822 0.36700 -0.19327 0.33735 35 5ZZ 0.00000 0.01203 -0.19291 0.02302 -0.24539 36 5XY -0.00002 0.21641 0.09356 0.39636 0.20979 37 5XZ 0.23575 0.00002 -0.00002 -0.00001 -0.00001 38 5YZ 0.44667 0.00004 0.00000 0.00003 0.00000 39 3 Cl 1S 0.00401 0.00000 0.01667 0.00488 0.00000 40 2S -0.01689 -0.00001 -0.05097 -0.01969 0.00000 41 2PX -0.00001 0.02030 0.00000 0.00000 0.03708 42 2PY -0.00004 0.04641 -0.00001 0.00000 -0.01294 43 2PZ 0.00019 0.00001 0.05988 0.02593 0.00000 44 3S 0.05265 0.00003 0.26390 0.06619 0.00002 45 3PX 0.00002 -0.07224 -0.00001 0.00000 -0.10550 46 3PY 0.00013 -0.16393 0.00003 0.00001 0.04209 47 3PZ -0.01406 -0.00006 -0.25111 -0.10988 -0.00002 48 4S 0.01123 0.00002 -0.04773 0.10028 -0.00002 49 4PX -0.00003 0.05006 0.00004 0.00010 -0.21148 50 4PY -0.00012 0.13264 -0.00005 -0.00002 0.01525 51 4PZ 0.11857 0.00010 0.46640 0.20860 0.00002 52 5XX 0.04437 0.00000 -0.01285 -0.02286 0.00000 53 5YY -0.04712 0.00000 0.04527 0.05724 0.00001 54 5ZZ -0.00740 0.00000 -0.02566 -0.04241 -0.00001 55 5XY 0.10241 0.00001 0.03505 -0.04933 -0.00002 56 5XZ 0.00001 0.01148 0.00000 -0.00003 0.07879 57 5YZ -0.00001 0.05068 0.00000 0.00000 -0.00788 58 4 Cl 1S -0.00401 0.00000 0.01667 0.00488 0.00000 59 2S 0.01688 0.00000 -0.05097 -0.01969 -0.00001 60 2PX 0.00000 0.02030 -0.00001 -0.00001 0.03709 61 2PY 0.00003 0.04641 0.00000 0.00000 -0.01294 62 2PZ 0.00019 -0.00001 -0.05988 -0.02593 -0.00001 63 3S -0.05265 0.00001 0.26391 0.06619 -0.00001 64 3PX 0.00000 -0.07224 0.00003 0.00002 -0.10550 65 3PY -0.00010 -0.16392 0.00000 0.00001 0.04208 66 3PZ -0.01406 0.00005 0.25109 0.10987 0.00006 67 4S -0.01122 0.00002 -0.04776 0.10027 0.00010 68 4PX 0.00002 0.05006 -0.00009 0.00003 -0.21148 69 4PY 0.00005 0.13264 0.00001 -0.00004 0.01525 70 4PZ 0.11857 -0.00006 -0.46638 -0.20858 -0.00010 71 5XX -0.04436 -0.00001 -0.01285 -0.02286 -0.00001 72 5YY 0.04711 0.00000 0.04527 0.05724 0.00002 73 5ZZ 0.00739 0.00000 -0.02566 -0.04241 -0.00001 74 5XY -0.10241 -0.00001 0.03505 -0.04933 -0.00002 75 5XZ 0.00001 -0.01148 -0.00001 0.00001 -0.07879 76 5YZ -0.00001 -0.05068 0.00001 -0.00001 0.00788 77 5 Cl 1S 0.00000 -0.01440 -0.01688 0.00639 0.00911 78 2S 0.00000 0.05652 0.06251 -0.03588 -0.04068 79 2PX 0.00000 0.03744 0.00747 -0.03798 0.00133 80 2PY 0.00000 -0.04849 -0.06005 0.04439 0.06612 81 2PZ 0.05435 0.00000 0.00000 0.00000 0.00000 82 3S 0.00001 -0.19052 -0.23195 0.05824 0.10942 83 3PX 0.00001 -0.13114 -0.03670 0.12896 0.00252 84 3PY -0.00001 0.21670 0.25719 -0.19805 -0.27646 85 3PZ -0.17914 -0.00002 0.00001 0.00000 0.00000 86 4S 0.00000 -0.18176 -0.18034 0.20623 0.14893 87 4PX -0.00001 0.08977 0.10553 -0.07790 -0.02701 88 4PY 0.00001 -0.63434 -0.66700 0.54952 0.60636 89 4PZ 0.04582 0.00002 0.00001 -0.00001 -0.00001 90 5XX 0.00000 -0.05845 -0.04098 0.05396 0.02719 91 5YY 0.00001 0.10285 0.08730 -0.11128 -0.09827 92 5ZZ -0.00001 -0.04165 -0.05210 0.03563 0.05966 93 5XY -0.00001 0.01864 -0.04152 -0.05956 0.05846 94 5XZ -0.02153 0.00000 0.00000 0.00000 0.00000 95 5YZ 0.09558 0.00000 -0.00001 0.00000 0.00001 96 6 Cl 1S 0.00000 0.01439 -0.01688 0.00639 -0.00911 97 2S 0.00000 -0.05651 0.06252 -0.03589 0.04066 98 2PX 0.00000 0.03745 -0.00748 0.03798 0.00133 99 2PY 0.00001 -0.04848 0.06007 -0.04440 0.06609 100 2PZ 0.05438 0.00000 0.00000 0.00000 0.00000 101 3S -0.00002 0.19048 -0.23202 0.05825 -0.10934 102 3PX 0.00001 -0.13115 0.03675 -0.12897 0.00252 103 3PY -0.00002 0.21665 -0.25725 0.19812 -0.27633 104 3PZ -0.17926 -0.00002 0.00000 0.00000 0.00000 105 4S -0.00001 0.18174 -0.18036 0.20631 -0.14889 106 4PX -0.00001 0.08982 -0.10563 0.07796 -0.02706 107 4PY 0.00004 -0.63422 0.66714 -0.54972 0.60606 108 4PZ 0.04587 0.00002 -0.00001 0.00001 -0.00001 109 5XX 0.00000 0.05845 -0.04098 0.05398 -0.02716 110 5YY 0.00000 -0.10284 0.08731 -0.11133 0.09821 111 5ZZ 0.00000 0.04164 -0.05211 0.03565 -0.05964 112 5XY 0.00000 -0.01863 -0.04154 -0.05950 -0.05850 113 5XZ 0.02156 0.00000 0.00000 0.00000 0.00000 114 5YZ -0.09563 0.00000 -0.00001 0.00000 -0.00001 115 7 Br 1S 0.00000 -0.01132 0.00677 0.00942 -0.00780 116 2S -0.00001 0.09160 -0.05634 -0.07585 0.06422 117 3S 0.00001 -0.14276 0.09034 0.11751 -0.10179 118 4S 0.00001 -0.14824 0.08678 0.12416 -0.10162 119 5S -0.00007 1.01148 -0.72679 -0.75492 0.70022 120 6S 0.00014 -1.85668 1.43595 1.34540 -1.32925 121 7PX 0.00000 0.01861 -0.00892 -0.02600 0.02412 122 7PY 0.00000 0.01306 -0.00794 -0.01411 0.01349 123 7PZ 0.01402 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00000 -0.05955 0.02857 0.08336 -0.07734 125 8PY 0.00000 -0.04194 0.02516 0.04541 -0.04329 126 8PZ -0.04418 0.00000 0.00000 0.00000 0.00000 127 9PX -0.00001 0.19481 -0.09344 -0.28081 0.25797 128 9PY 0.00000 0.14422 -0.07051 -0.16363 0.14972 129 9PZ 0.10477 0.00001 0.00000 0.00000 0.00000 130 10PX 0.00000 -0.24864 0.06194 0.35354 -0.24513 131 10PY 0.00000 -0.17417 0.05238 0.25314 -0.22776 132 10PZ 0.02094 0.00000 0.00000 0.00000 0.00000 133 11XX 0.00000 0.05428 -0.08306 -0.06352 0.09859 134 11YY -0.00001 0.09027 -0.01616 -0.06109 0.02824 135 11ZZ -0.00001 0.06127 -0.03180 -0.04445 0.02068 136 11XY 0.00000 0.03046 0.01434 -0.04141 0.01810 137 11XZ -0.06966 0.00000 0.00000 0.00000 0.00000 138 11YZ -0.03769 0.00000 0.00000 0.00000 0.00000 139 12XX -0.00006 0.50580 -0.13925 -0.31189 0.09424 140 12YY -0.00002 0.33335 -0.43076 -0.30420 0.40167 141 12ZZ -0.00001 0.43993 -0.35674 -0.34830 0.40812 142 12XY 0.00000 -0.10333 -0.07336 0.14035 -0.04599 143 12XZ 0.29658 0.00002 0.00001 0.00002 -0.00001 144 12YZ 0.15685 0.00001 0.00000 0.00001 0.00000 145 8 Br 1S 0.00000 0.01132 0.00677 0.00942 0.00780 146 2S 0.00001 -0.09162 -0.05632 -0.07581 -0.06425 147 3S -0.00001 0.14279 0.09031 0.11745 0.10185 148 4S -0.00001 0.14828 0.08675 0.12411 0.10167 149 5S 0.00008 -1.01170 -0.72652 -0.75454 -0.70064 150 6S -0.00015 1.85709 1.43544 1.34467 1.33009 151 7PX 0.00000 0.01862 0.00892 0.02598 0.02413 152 7PY 0.00000 0.01307 0.00794 0.01411 0.01350 153 7PZ 0.01403 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00001 -0.05956 -0.02856 -0.08332 -0.07737 155 8PY 0.00000 -0.04195 -0.02516 -0.04540 -0.04332 156 8PZ -0.04421 0.00000 0.00000 0.00000 0.00000 157 9PX -0.00002 0.19484 0.09339 0.28067 0.25805 158 9PY -0.00001 0.14425 0.07050 0.16359 0.14982 159 9PZ 0.10484 0.00001 0.00000 0.00001 0.00000 160 10PX 0.00001 -0.24866 -0.06190 -0.35340 -0.24520 161 10PY 0.00001 -0.17421 -0.05238 -0.25309 -0.22787 162 10PZ 0.02093 -0.00001 0.00000 -0.00001 -0.00001 163 11XX 0.00000 -0.05429 -0.08306 -0.06346 -0.09861 164 11YY 0.00001 -0.09028 -0.01613 -0.06109 -0.02827 165 11ZZ 0.00001 -0.06128 -0.03179 -0.04443 -0.02070 166 11XY 0.00000 -0.03046 0.01434 -0.04140 -0.01813 167 11XZ 0.06968 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.03771 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00007 -0.50588 -0.13908 -0.31186 -0.09444 170 12YY 0.00002 -0.33344 -0.43070 -0.30392 -0.40182 171 12ZZ 0.00002 -0.44004 -0.35664 -0.34811 -0.40832 172 12XY 0.00000 0.10329 -0.07333 0.14033 0.04608 173 12XZ -0.29670 -0.00002 0.00002 0.00001 0.00001 174 12YZ -0.15693 -0.00001 0.00000 0.00000 0.00001 106 107 108 109 110 V V V V V Eigenvalues -- 0.37021 0.37255 0.38294 0.39163 0.41087 1 1 Al 1S 0.00000 0.00000 -0.00531 0.00192 0.00000 2 2S 0.00003 0.00000 0.00253 -0.08039 0.00000 3 2PX 0.00001 0.00000 -0.01132 -0.01195 0.00000 4 2PY 0.00000 0.00001 -0.01245 -0.00602 0.00000 5 2PZ -0.00204 -0.03919 -0.00002 0.00001 0.01981 6 3S 0.00010 0.00016 -0.25101 -0.19644 -0.00004 7 3PX -0.00010 0.00001 0.02636 0.14270 0.00003 8 3PY 0.00000 0.00001 -0.01256 0.06278 -0.00003 9 3PZ -0.03059 0.31132 0.00014 -0.00004 -0.04675 10 4S 0.00032 -0.00072 0.75712 -0.43245 0.00013 11 4PX -0.00009 0.00062 -0.97104 -0.16983 0.00010 12 4PY 0.00006 -0.00006 0.00305 -0.18940 0.00013 13 4PZ -0.67359 -0.30642 -0.00012 -0.00021 0.21097 14 5XX 0.00011 -0.00010 0.14586 -0.21392 0.00003 15 5YY 0.00007 -0.00003 0.03879 -0.18615 0.00004 16 5ZZ -0.00005 0.00002 -0.02528 0.10150 -0.00005 17 5XY 0.00000 0.00018 -0.35660 -0.06916 0.00002 18 5XZ 0.47667 -0.33232 -0.00020 0.00018 -0.05117 19 5YZ -0.26360 0.23588 0.00013 -0.00007 0.37019 20 2 Al 1S 0.00000 0.00000 0.00531 0.00192 0.00000 21 2S 0.00003 0.00000 -0.00255 -0.08039 0.00000 22 2PX -0.00001 0.00001 -0.01132 0.01196 0.00000 23 2PY 0.00000 0.00001 -0.01245 0.00603 -0.00001 24 2PZ 0.00206 -0.03918 -0.00002 0.00000 -0.01982 25 3S 0.00017 -0.00019 0.25094 -0.19650 -0.00004 26 3PX 0.00010 -0.00001 0.02633 -0.14270 -0.00003 27 3PY 0.00000 0.00001 -0.01262 -0.06282 0.00004 28 3PZ 0.03041 0.31131 0.00013 0.00003 0.04678 29 4S 0.00005 0.00069 -0.75721 -0.43236 0.00016 30 4PX -0.00012 0.00062 -0.97100 0.17000 -0.00012 31 4PY -0.00002 -0.00006 0.00299 0.18945 -0.00015 32 4PZ 0.67378 -0.30593 -0.00020 0.00023 -0.21104 33 5XX 0.00008 0.00007 -0.14595 -0.21388 0.00002 34 5YY 0.00007 0.00002 -0.03879 -0.18619 0.00004 35 5ZZ -0.00005 0.00000 0.02529 0.10151 -0.00005 36 5XY 0.00005 -0.00018 0.35661 -0.06924 0.00003 37 5XZ 0.47650 0.33264 0.00013 0.00016 -0.05115 38 5YZ -0.26334 -0.23611 -0.00011 -0.00006 0.37014 39 3 Cl 1S -0.00001 0.02950 0.00002 0.00897 0.00000 40 2S 0.00004 -0.07655 -0.00004 -0.02844 0.00000 41 2PX 0.02327 0.00003 -0.05000 0.00002 0.07201 42 2PY 0.05427 0.00000 0.02441 0.00002 0.07596 43 2PZ -0.00007 0.06834 0.00005 0.14103 -0.00001 44 3S -0.00016 0.50619 0.00029 0.14571 0.00000 45 3PX -0.02274 -0.00011 0.20623 -0.00006 -0.30298 46 3PY -0.23099 -0.00001 -0.09710 -0.00010 -0.29800 47 3PZ 0.00030 -0.31775 -0.00022 -0.55667 0.00003 48 4S -0.00004 -0.45006 -0.00029 0.04770 0.00000 49 4PX -0.50420 0.00008 -0.35781 -0.00010 0.50219 50 4PY 0.43814 -0.00003 0.21721 0.00015 0.31758 51 4PZ -0.00055 0.72708 0.00043 0.72734 0.00002 52 5XX -0.00001 -0.02244 -0.00001 0.03349 -0.00002 53 5YY -0.00005 0.13886 0.00007 0.03184 0.00002 54 5ZZ 0.00006 -0.08583 -0.00004 -0.07400 -0.00001 55 5XY -0.00002 0.04423 0.00002 -0.00080 0.00002 56 5XZ 0.20942 0.00003 0.08391 0.00007 -0.10569 57 5YZ -0.07724 -0.00001 0.01218 -0.00003 -0.04066 58 4 Cl 1S 0.00001 -0.02950 -0.00002 0.00897 0.00000 59 2S -0.00001 0.07654 0.00003 -0.02845 0.00000 60 2PX -0.02328 0.00003 -0.04999 -0.00002 -0.07201 61 2PY -0.05426 -0.00003 0.02442 -0.00003 -0.07596 62 2PZ 0.00003 0.06833 0.00002 -0.14103 0.00002 63 3S 0.00017 -0.50619 -0.00028 0.14576 -0.00008 64 3PX 0.02277 -0.00015 0.20621 0.00004 0.30298 65 3PY 0.23097 0.00013 -0.09714 0.00014 0.29799 66 3PZ -0.00010 -0.31771 -0.00010 0.55669 -0.00007 67 4S -0.00034 0.45010 0.00034 0.04763 0.00011 68 4PX 0.50412 0.00050 -0.35785 0.00014 -0.50219 69 4PY -0.43809 -0.00027 0.21728 -0.00024 -0.31757 70 4PZ 0.00010 0.72701 0.00026 -0.72737 0.00008 71 5XX -0.00002 0.02244 0.00002 0.03349 -0.00001 72 5YY 0.00003 -0.13886 -0.00007 0.03184 -0.00001 73 5ZZ 0.00001 0.08582 0.00002 -0.07400 0.00001 74 5XY 0.00002 -0.04423 -0.00003 -0.00080 0.00000 75 5XZ 0.20941 0.00013 -0.08393 0.00008 -0.10569 76 5YZ -0.07724 0.00000 -0.01216 -0.00004 -0.04066 77 5 Cl 1S 0.00000 0.00001 -0.00924 -0.00231 0.00000 78 2S 0.00001 -0.00002 0.02027 -0.01437 0.00000 79 2PX 0.00000 0.00002 -0.05250 -0.01866 0.00001 80 2PY -0.00003 0.00004 -0.06423 0.07291 0.00000 81 2PZ -0.00202 -0.06230 -0.00004 0.00000 0.07411 82 3S -0.00001 0.00010 -0.16449 -0.08695 0.00000 83 3PX 0.00000 -0.00008 0.20137 0.07418 -0.00003 84 3PY 0.00013 -0.00015 0.24630 -0.29707 0.00001 85 3PZ 0.01311 0.22130 0.00013 0.00000 -0.29713 86 4S -0.00008 -0.00001 0.08243 0.28592 0.00000 87 4PX 0.00003 0.00002 -0.13708 -0.09631 0.00002 88 4PY -0.00023 0.00021 -0.30788 0.52382 -0.00003 89 4PZ 0.01808 -0.12846 -0.00009 0.00000 0.37051 90 5XX -0.00001 0.00001 -0.02029 0.01276 0.00000 91 5YY 0.00003 -0.00001 0.01383 -0.08495 0.00000 92 5ZZ -0.00002 0.00001 -0.01869 0.02451 0.00000 93 5XY -0.00001 -0.00003 0.07330 0.03309 0.00000 94 5XZ -0.00471 -0.00888 -0.00001 0.00000 0.00397 95 5YZ 0.06596 -0.05056 -0.00003 0.00002 -0.10465 96 6 Cl 1S 0.00000 -0.00001 0.00924 -0.00231 0.00000 97 2S 0.00001 0.00001 -0.02027 -0.01437 0.00000 98 2PX -0.00001 0.00002 -0.05249 0.01867 -0.00001 99 2PY 0.00003 0.00003 -0.06426 -0.07290 0.00000 100 2PZ 0.00207 -0.06229 -0.00004 0.00000 -0.07412 101 3S 0.00002 -0.00010 0.16443 -0.08699 0.00001 102 3PX 0.00003 -0.00008 0.20133 -0.07425 0.00004 103 3PY -0.00010 -0.00013 0.24641 0.29702 0.00000 104 3PZ -0.01326 0.22127 0.00013 -0.00002 0.29716 105 4S -0.00009 0.00003 -0.08228 0.28597 -0.00001 106 4PX -0.00004 0.00003 -0.13703 0.09640 -0.00003 107 4PY 0.00019 0.00018 -0.30809 -0.52378 0.00003 108 4PZ -0.01801 -0.12843 -0.00007 0.00000 -0.37052 109 5XX 0.00000 -0.00001 0.02031 0.01275 0.00000 110 5YY 0.00003 0.00001 -0.01389 -0.08495 0.00001 111 5ZZ -0.00002 -0.00001 0.01870 0.02451 0.00000 112 5XY -0.00002 0.00004 -0.07329 0.03312 0.00000 113 5XZ -0.00472 0.00887 0.00001 0.00000 0.00398 114 5YZ 0.06591 0.05063 0.00003 0.00002 -0.10464 115 7 Br 1S 0.00000 0.00000 0.00698 -0.00019 0.00000 116 2S -0.00001 0.00003 -0.06020 -0.00074 0.00001 117 3S 0.00002 -0.00005 0.09996 0.00544 -0.00002 118 4S 0.00002 -0.00005 0.08747 -0.00751 -0.00002 119 5S -0.00003 0.00054 -1.11161 -0.37009 0.00027 120 6S -0.00002 -0.00110 2.35898 0.95850 -0.00063 121 7PX -0.00001 0.00000 0.00110 0.02478 0.00000 122 7PY -0.00001 0.00001 -0.01289 0.01587 0.00000 123 7PZ 0.02347 0.00705 0.00000 0.00001 0.02336 124 8PX 0.00003 0.00000 -0.00399 -0.07990 0.00001 125 8PY 0.00003 -0.00003 0.04096 -0.05122 0.00000 126 8PZ -0.07514 -0.02234 0.00000 -0.00004 -0.07519 127 9PX -0.00011 0.00000 0.04392 0.28587 -0.00003 128 9PY -0.00009 0.00007 -0.10445 0.18779 0.00001 129 9PZ 0.23243 0.05799 0.00001 0.00014 0.25437 130 10PX 0.00016 0.00004 -0.18211 -0.42590 0.00008 131 10PY 0.00011 0.00002 -0.08464 -0.29824 0.00003 132 10PZ -0.11635 0.00996 0.00001 -0.00010 -0.28107 133 11XX -0.00001 0.00000 0.00410 0.00593 0.00000 134 11YY -0.00001 0.00004 -0.07993 -0.00653 0.00001 135 11ZZ 0.00000 0.00004 -0.07001 -0.00745 0.00002 136 11XY -0.00002 -0.00001 0.03665 0.05022 -0.00001 137 11XZ 0.00741 0.00816 0.00001 0.00000 0.00983 138 11YZ 0.04409 -0.04985 -0.00003 0.00003 0.06793 139 12XX -0.00001 0.00034 -0.68072 -0.16997 0.00015 140 12YY 0.00000 0.00014 -0.30835 -0.12828 0.00011 141 12ZZ -0.00003 0.00018 -0.37620 -0.14661 0.00007 142 12XY 0.00006 0.00005 -0.13771 -0.19853 0.00003 143 12XZ -0.03556 -0.04091 -0.00004 -0.00001 -0.03563 144 12YZ -0.20244 0.22542 0.00016 -0.00015 -0.30682 145 8 Br 1S 0.00000 0.00000 -0.00698 -0.00018 0.00000 146 2S 0.00000 -0.00003 0.06020 -0.00075 0.00001 147 3S 0.00001 0.00005 -0.09997 0.00545 -0.00003 148 4S 0.00001 0.00004 -0.08748 -0.00750 -0.00002 149 5S 0.00009 -0.00052 1.11163 -0.37027 0.00034 150 6S -0.00027 0.00109 -2.35896 0.95892 -0.00077 151 7PX 0.00001 0.00000 0.00109 -0.02479 0.00000 152 7PY 0.00001 0.00001 -0.01289 -0.01587 0.00000 153 7PZ -0.02348 0.00704 0.00001 -0.00001 -0.02335 154 8PX -0.00004 0.00000 -0.00398 0.07991 -0.00001 155 8PY -0.00002 -0.00002 0.04096 0.05123 0.00000 156 8PZ 0.07516 -0.02230 -0.00002 0.00004 0.07518 157 9PX 0.00013 -0.00002 0.04387 -0.28591 0.00004 158 9PY 0.00008 0.00005 -0.10442 -0.18782 -0.00001 159 9PZ -0.23247 0.05787 0.00005 -0.00014 -0.25435 160 10PX -0.00018 0.00007 -0.18204 0.42596 -0.00011 161 10PY -0.00013 0.00005 -0.08467 0.29832 -0.00004 162 10PZ 0.11636 0.00999 -0.00002 0.00010 0.28107 163 11XX -0.00001 0.00000 -0.00409 0.00593 0.00000 164 11YY 0.00000 -0.00004 0.07991 -0.00653 0.00001 165 11ZZ 0.00001 -0.00004 0.07002 -0.00746 0.00002 166 11XY -0.00002 0.00002 -0.03666 0.05023 -0.00001 167 11XZ 0.00742 -0.00817 -0.00001 0.00000 0.00981 168 11YZ 0.04407 0.04986 0.00002 0.00003 0.06795 169 12XX 0.00007 -0.00034 0.68070 -0.17005 0.00019 170 12YY 0.00003 -0.00013 0.30843 -0.12836 0.00013 171 12ZZ 0.00000 -0.00017 0.37615 -0.14667 0.00010 172 12XY 0.00008 -0.00006 0.13773 -0.19857 0.00004 173 12XZ -0.03560 0.04095 0.00004 -0.00002 -0.03554 174 12YZ -0.20233 -0.22549 -0.00011 -0.00012 -0.30691 111 112 113 114 115 V V V V V Eigenvalues -- 0.42619 0.43974 0.44055 0.44178 0.44411 1 1 Al 1S 0.00849 0.00000 0.00000 -0.00116 0.00064 2 2S 0.02807 0.00001 -0.00003 0.03180 0.01695 3 2PX -0.02613 0.00000 0.00000 0.00934 0.01124 4 2PY 0.02062 -0.00001 0.00001 -0.01364 -0.03711 5 2PZ 0.00000 0.00070 0.00111 0.00000 0.00000 6 3S 0.48822 0.00004 -0.00010 0.06664 0.09464 7 3PX 0.06451 -0.00001 0.00006 -0.08301 -0.04514 8 3PY -0.11565 0.00003 0.00000 -0.00616 0.14863 9 3PZ 0.00001 -0.09897 0.13849 0.00010 0.00001 10 4S -1.70119 -0.00008 0.00011 -0.00753 -0.28880 11 4PX 0.43548 -0.00002 -0.00007 0.06038 -0.07591 12 4PY -0.45311 -0.00006 0.00017 -0.17491 -0.21161 13 4PZ -0.00002 -0.29763 0.00352 0.00000 0.00007 14 5XX -0.31006 0.00000 0.00001 -0.00740 0.01709 15 5YY 0.07928 -0.00003 0.00004 -0.04661 -0.11004 16 5ZZ 0.13819 0.00004 -0.00012 0.15257 0.10759 17 5XY -0.10701 -0.00002 -0.00003 0.05338 -0.10173 18 5XZ 0.00001 0.02364 -0.01964 -0.00001 -0.00002 19 5YZ -0.00003 0.05375 0.01670 0.00000 0.00002 20 2 Al 1S -0.00849 0.00000 0.00000 0.00116 0.00064 21 2S -0.02806 0.00000 0.00003 -0.03176 0.01700 22 2PX -0.02613 0.00000 0.00000 0.00932 -0.01125 23 2PY 0.02064 0.00001 0.00000 -0.01358 0.03712 24 2PZ 0.00000 -0.00070 0.00110 0.00000 0.00000 25 3S -0.48812 0.00002 0.00007 -0.06633 0.09486 26 3PX 0.06455 0.00001 0.00004 -0.08285 0.04524 27 3PY -0.11570 -0.00004 0.00004 -0.00640 -0.14858 28 3PZ 0.00000 0.09857 0.13878 0.00009 0.00001 29 4S 1.70095 -0.00006 -0.00004 0.00676 -0.28924 30 4PX 0.43562 0.00004 -0.00012 0.06079 0.07567 31 4PY -0.45296 0.00004 0.00011 -0.17424 0.21195 32 4PZ -0.00003 0.29764 0.00437 -0.00003 -0.00007 33 5XX 0.31006 0.00001 -0.00001 0.00741 0.01702 34 5YY -0.07928 -0.00003 -0.00002 0.04645 -0.11009 35 5ZZ -0.13815 0.00002 0.00009 -0.15233 0.10782 36 5XY 0.10693 -0.00003 0.00006 -0.05364 -0.10166 37 5XZ -0.00001 0.02358 0.01971 0.00000 -0.00001 38 5YZ 0.00002 0.05382 -0.01652 0.00000 0.00002 39 3 Cl 1S 0.00000 0.00001 -0.00333 0.00000 0.00181 40 2S 0.00000 0.00002 -0.01123 0.00000 0.00226 41 2PX -0.00613 -0.05411 -0.00008 -0.00463 0.00002 42 2PY -0.04622 0.06753 0.00007 0.04132 -0.00003 43 2PZ 0.00000 -0.00013 0.09348 0.00008 0.03526 44 3S -0.00001 0.00018 -0.10146 -0.00001 0.04758 45 3PX 0.01266 0.22637 0.00032 0.02694 -0.00010 46 3PY 0.18170 -0.26831 -0.00029 -0.16902 0.00011 47 3PZ 0.00002 0.00052 -0.38549 -0.00031 -0.12463 48 4S 0.00004 -0.00043 0.26748 0.00010 -0.02790 49 4PX 0.23738 -0.39770 -0.00053 -0.08407 0.00015 50 4PY -0.23358 0.35202 0.00035 0.25811 -0.00017 51 4PZ -0.00005 -0.00080 0.56500 0.00035 0.06817 52 5XX 0.00002 0.00001 -0.00429 0.00003 0.02849 53 5YY -0.00002 -0.00007 0.04551 0.00000 -0.04353 54 5ZZ 0.00001 0.00015 -0.09746 -0.00004 0.03322 55 5XY -0.00001 -0.00004 0.01717 -0.00003 -0.01692 56 5XZ -0.00714 0.03171 0.00002 0.04229 -0.00004 57 5YZ 0.03247 -0.02882 -0.00001 -0.03964 0.00002 58 4 Cl 1S 0.00000 0.00000 0.00333 0.00000 0.00181 59 2S 0.00000 -0.00002 0.01123 0.00001 0.00226 60 2PX -0.00613 0.05411 0.00007 -0.00464 -0.00001 61 2PY -0.04622 -0.06753 -0.00013 0.04133 -0.00001 62 2PZ 0.00001 -0.00015 0.09349 0.00006 -0.03525 63 3S 0.00000 -0.00009 0.10144 0.00006 0.04759 64 3PX 0.01267 -0.22636 -0.00032 0.02696 0.00002 65 3PY 0.18168 0.26830 0.00051 -0.16904 0.00006 66 3PZ -0.00004 0.00061 -0.38551 -0.00028 0.12458 67 4S 0.00000 0.00030 -0.26743 -0.00014 -0.02792 68 4PX 0.23736 0.39768 0.00059 -0.08410 -0.00005 69 4PY -0.23356 -0.35200 -0.00068 0.25813 -0.00009 70 4PZ 0.00007 -0.00086 0.56499 0.00049 -0.06809 71 5XX -0.00002 0.00001 0.00428 0.00001 0.02848 72 5YY 0.00000 0.00006 -0.04551 -0.00007 -0.04353 73 5ZZ 0.00003 -0.00013 0.09745 0.00011 0.03323 74 5XY -0.00001 0.00002 -0.01716 -0.00004 -0.01692 75 5XZ 0.00715 0.03170 0.00007 -0.04230 0.00001 76 5YZ -0.03246 -0.02882 -0.00007 0.03964 -0.00001 77 5 Cl 1S 0.01244 0.00000 0.00000 0.00483 -0.00634 78 2S -0.01287 0.00000 0.00000 -0.00180 0.00203 79 2PX -0.04267 -0.00001 -0.00001 0.02724 -0.05000 80 2PY 0.05480 -0.00002 0.00005 -0.06004 -0.07830 81 2PZ 0.00000 0.06856 -0.04583 -0.00004 -0.00001 82 3S 0.26036 -0.00004 -0.00009 0.10512 -0.14547 83 3PX 0.16963 0.00006 0.00004 -0.10601 0.19711 84 3PY -0.19823 0.00007 -0.00019 0.23214 0.29306 85 3PZ 0.00000 -0.26861 0.17530 0.00016 0.00004 86 4S -0.31305 0.00006 0.00019 -0.23023 0.24121 87 4PX -0.23135 -0.00007 -0.00004 0.12371 -0.23580 88 4PY 0.11916 -0.00004 0.00021 -0.25419 -0.19245 89 4PZ 0.00000 0.34655 -0.18945 -0.00018 -0.00005 90 5XX -0.01959 0.00000 -0.00001 0.01414 -0.00318 91 5YY 0.08954 -0.00001 -0.00001 0.00897 -0.04274 92 5ZZ -0.01611 0.00001 -0.00001 0.01384 0.01429 93 5XY 0.02327 0.00001 0.00001 -0.01611 0.03702 94 5XZ 0.00000 -0.01706 0.00874 0.00001 0.00000 95 5YZ 0.00000 -0.02505 0.00182 0.00001 0.00000 96 6 Cl 1S -0.01244 0.00000 0.00001 -0.00483 -0.00633 97 2S 0.01287 0.00000 0.00000 0.00180 0.00202 98 2PX -0.04264 0.00002 -0.00002 0.02733 0.04996 99 2PY 0.05482 0.00002 0.00004 -0.05993 0.07836 100 2PZ 0.00000 -0.06843 -0.04605 -0.00004 0.00000 101 3S -0.26039 -0.00006 0.00011 -0.10521 -0.14525 102 3PX 0.16950 -0.00006 0.00008 -0.10635 -0.19697 103 3PY -0.19832 -0.00006 -0.00015 0.23173 -0.29330 104 3PZ -0.00001 0.26814 0.17614 0.00014 -0.00001 105 4S 0.31310 0.00010 -0.00023 0.23034 0.24081 106 4PX -0.23120 0.00007 -0.00009 0.12407 0.23567 107 4PY 0.11923 0.00002 0.00019 -0.25391 0.19275 108 4PZ 0.00002 -0.34605 -0.19051 -0.00015 0.00002 109 5XX 0.01959 0.00000 0.00001 -0.01415 -0.00317 110 5YY -0.08955 -0.00002 0.00002 -0.00900 -0.04270 111 5ZZ 0.01611 0.00000 0.00001 -0.01381 0.01431 112 5XY -0.02322 0.00001 -0.00002 0.01618 0.03701 113 5XZ 0.00000 -0.01703 -0.00879 -0.00001 0.00000 114 5YZ 0.00000 -0.02505 -0.00190 -0.00001 0.00000 115 7 Br 1S 0.00421 0.00000 0.00000 0.00035 0.00236 116 2S -0.03749 -0.00001 0.00000 -0.00325 -0.02034 117 3S 0.06436 0.00001 -0.00001 0.00575 0.03374 118 4S 0.05048 0.00001 -0.00001 0.00429 0.02976 119 5S -0.90970 -0.00013 0.00010 -0.06518 -0.43486 120 6S 2.05898 0.00029 -0.00024 0.15750 0.96143 121 7PX -0.02148 0.00000 0.00000 -0.00412 0.00774 122 7PY 0.03357 0.00000 0.00000 -0.00103 -0.01483 123 7PZ 0.00000 0.01972 0.00801 0.00001 0.00000 124 8PX 0.06849 0.00000 -0.00001 0.01318 -0.02510 125 8PY -0.10812 0.00001 0.00000 0.00340 0.04760 126 8PZ -0.00001 -0.06326 -0.02576 -0.00002 0.00000 127 9PX -0.18528 0.00001 0.00004 -0.03972 0.09780 128 9PY 0.37381 -0.00003 0.00001 -0.01544 -0.14947 129 9PZ 0.00003 0.20020 0.08521 0.00006 0.00000 130 10PX -0.10451 -0.00003 0.00000 0.00725 -0.18294 131 10PY -0.46236 0.00001 -0.00002 0.02977 0.08917 132 10PZ -0.00003 -0.13312 -0.08646 -0.00006 -0.00002 133 11XX -0.05455 0.00001 -0.00004 0.05786 0.06453 134 11YY 0.03600 0.00001 -0.00005 0.05371 0.01569 135 11ZZ -0.07533 -0.00003 0.00010 -0.12016 -0.12930 136 11XY 0.04336 -0.00001 0.00006 -0.07714 -0.04921 137 11XZ 0.00000 0.08261 -0.06878 -0.00005 -0.00002 138 11YZ 0.00001 -0.09620 0.11221 0.00009 0.00004 139 12XX -0.24022 -0.00011 0.00025 -0.30715 -0.53981 140 12YY -0.67658 -0.00010 0.00028 -0.29172 -0.32239 141 12ZZ -0.17955 0.00005 -0.00041 0.51797 0.34616 142 12XY -0.16870 0.00004 -0.00028 0.35803 0.24018 143 12XZ -0.00001 -0.38732 0.32213 0.00023 0.00007 144 12YZ -0.00006 0.44356 -0.51948 -0.00041 -0.00017 145 8 Br 1S -0.00421 0.00000 0.00000 -0.00034 0.00237 146 2S 0.03747 -0.00001 0.00000 0.00319 -0.02035 147 3S -0.06433 0.00001 0.00000 -0.00564 0.03376 148 4S -0.05046 0.00001 0.00000 -0.00420 0.02978 149 5S 0.90933 -0.00012 0.00004 0.06378 -0.43512 150 6S -2.05818 0.00026 -0.00007 -0.15439 0.96203 151 7PX -0.02149 0.00000 0.00000 -0.00412 -0.00773 152 7PY 0.03357 0.00000 0.00000 -0.00101 0.01482 153 7PZ 0.00000 -0.01975 0.00795 0.00001 0.00000 154 8PX 0.06851 0.00001 -0.00002 0.01319 0.02506 155 8PY -0.10812 -0.00001 0.00001 0.00333 -0.04757 156 8PZ -0.00001 0.06335 -0.02557 -0.00002 0.00000 157 9PX -0.18536 -0.00002 0.00005 -0.03977 -0.09768 158 9PY 0.37381 0.00004 -0.00002 -0.01525 0.14935 159 9PZ 0.00003 -0.20051 0.08460 0.00008 0.00001 160 10PX -0.10433 0.00004 -0.00004 0.00758 0.18292 161 10PY -0.46234 -0.00002 -0.00001 0.02977 -0.08905 162 10PZ -0.00003 0.13343 -0.08604 -0.00007 0.00000 163 11XX 0.05457 0.00000 0.00003 -0.05783 0.06460 164 11YY -0.03601 0.00000 0.00005 -0.05371 0.01576 165 11ZZ 0.07529 -0.00002 -0.00008 0.11998 -0.12947 166 11XY -0.04335 0.00000 -0.00005 0.07712 -0.04929 167 11XZ 0.00000 0.08243 0.06904 0.00004 0.00000 168 11YZ -0.00001 -0.09586 -0.11248 -0.00008 0.00002 169 12XX 0.23995 -0.00008 -0.00014 0.30622 -0.54024 170 12YY 0.67643 -0.00006 -0.00021 0.29094 -0.32288 171 12ZZ 0.17953 0.00000 0.00039 -0.51792 0.34677 172 12XY 0.16864 0.00001 0.00025 -0.35788 0.24055 173 12XZ 0.00002 -0.38645 -0.32332 -0.00019 0.00002 174 12YZ 0.00004 0.44197 0.52072 0.00037 -0.00008 116 117 118 119 120 V V V V V Eigenvalues -- 0.45644 0.46712 0.48426 0.50103 0.51967 1 1 Al 1S 0.00545 0.00000 0.00177 0.00000 -0.00194 2 2S 0.04649 0.00000 -0.00188 0.00000 0.00750 3 2PX 0.02194 0.00000 -0.02760 0.00001 -0.03831 4 2PY -0.03318 0.00000 0.02241 0.00000 0.02396 5 2PZ 0.00000 0.01172 0.00000 -0.03753 -0.00001 6 3S 0.36828 -0.00001 0.05374 -0.00002 -0.03140 7 3PX -0.23294 0.00000 0.09406 0.00000 0.05092 8 3PY 0.19862 0.00001 -0.03155 -0.00002 -0.00424 9 3PZ 0.00000 -0.03403 0.00001 0.16465 0.00002 10 4S -0.88118 0.00004 -0.22678 0.00005 -0.21345 11 4PX -0.58467 0.00004 -0.21150 0.00005 -0.74538 12 4PY -0.80065 0.00004 -0.20122 -0.00005 0.05137 13 4PZ 0.00001 -0.15555 -0.00001 -0.17852 -0.00008 14 5XX -0.02372 0.00001 0.08802 0.00004 0.00061 15 5YY -0.09787 0.00000 0.01209 0.00007 -0.34830 16 5ZZ 0.25718 0.00000 -0.08680 -0.00011 0.31730 17 5XY -0.21173 0.00001 -0.18475 -0.00005 0.08012 18 5XZ -0.00004 -0.02812 0.00000 -0.17666 -0.00002 19 5YZ 0.00004 0.04238 0.00001 0.37358 0.00007 20 2 Al 1S 0.00545 0.00000 0.00177 0.00000 0.00194 21 2S 0.04652 0.00000 -0.00187 0.00001 -0.00750 22 2PX -0.02194 0.00000 0.02760 0.00001 -0.03831 23 2PY 0.03318 0.00000 -0.02241 0.00000 0.02395 24 2PZ 0.00000 0.01171 0.00000 -0.03753 -0.00001 25 3S 0.36849 0.00000 0.05383 0.00002 0.03143 26 3PX 0.23297 -0.00001 -0.09404 -0.00001 0.05093 27 3PY -0.19861 0.00001 0.03157 -0.00002 -0.00426 28 3PZ 0.00000 -0.03402 -0.00001 0.16466 0.00002 29 4S -0.88191 -0.00001 -0.22697 -0.00008 0.21333 30 4PX 0.58423 0.00003 0.21127 0.00006 -0.74526 31 4PY 0.80087 0.00001 0.20131 -0.00001 0.05127 32 4PZ -0.00003 -0.15556 0.00001 -0.17847 -0.00009 33 5XX -0.02374 -0.00001 0.08805 -0.00005 -0.00060 34 5YY -0.09794 0.00000 0.01209 -0.00007 0.34825 35 5ZZ 0.25727 -0.00001 -0.08684 0.00013 -0.31725 36 5XY -0.21171 0.00000 -0.18474 0.00005 -0.08016 37 5XZ -0.00004 0.02814 0.00001 0.17671 0.00002 38 5YZ 0.00005 -0.04240 -0.00001 -0.37355 -0.00006 39 3 Cl 1S -0.00176 0.00610 -0.00074 -0.00038 0.00000 40 2S 0.01820 -0.00552 -0.00098 -0.02382 0.00000 41 2PX 0.00001 0.00000 0.00000 0.00000 -0.03465 42 2PY 0.00001 -0.00001 0.00000 0.00000 0.08339 43 2PZ -0.04740 0.02836 -0.02624 -0.06350 -0.00001 44 3S -0.00153 0.13148 -0.02079 -0.06573 0.00008 45 3PX -0.00005 -0.00001 -0.00001 -0.00001 0.14475 46 3PY -0.00002 0.00002 -0.00002 0.00000 -0.35140 47 3PZ 0.21232 -0.11781 0.10864 0.21929 0.00005 48 4S -0.03392 -0.25517 0.06271 0.20637 -0.00016 49 4PX 0.00005 -0.00001 -0.00001 0.00004 -0.18693 50 4PY 0.00004 -0.00003 0.00003 -0.00002 0.54144 51 4PZ -0.42751 0.16459 -0.13511 -0.02602 -0.00004 52 5XX 0.04756 0.06700 -0.08678 -0.14031 -0.00001 53 5YY -0.06710 -0.01216 0.01543 0.12421 0.00004 54 5ZZ 0.05713 -0.02933 0.06584 -0.03948 -0.00002 55 5XY -0.10821 0.03172 -0.00682 0.02858 -0.00001 56 5XZ -0.00004 0.00001 0.00000 -0.00001 0.02549 57 5YZ 0.00000 0.00000 0.00000 0.00002 -0.13010 58 4 Cl 1S -0.00176 -0.00610 -0.00074 0.00037 0.00000 59 2S 0.01820 0.00551 -0.00098 0.02382 0.00001 60 2PX -0.00001 0.00000 0.00000 0.00000 -0.03465 61 2PY -0.00001 0.00000 0.00000 -0.00001 0.08339 62 2PZ 0.04740 0.02836 0.02624 -0.06349 -0.00001 63 3S -0.00157 -0.13149 -0.02079 0.06572 -0.00004 64 3PX 0.00003 0.00001 -0.00001 -0.00002 0.14475 65 3PY 0.00003 0.00001 0.00000 0.00005 -0.35138 66 3PZ -0.21235 -0.11780 -0.10864 0.21928 0.00004 67 4S -0.03385 0.25518 0.06271 -0.20634 0.00007 68 4PX -0.00007 -0.00002 0.00000 0.00008 -0.18694 69 4PY -0.00002 -0.00002 0.00000 -0.00006 0.54141 70 4PZ 0.42752 0.16457 0.13511 -0.02602 0.00000 71 5XX 0.04754 -0.06700 -0.08677 0.14031 0.00000 72 5YY -0.06710 0.01217 0.01543 -0.12421 -0.00002 73 5ZZ 0.05713 0.02933 0.06584 0.03947 0.00002 74 5XY -0.10821 -0.03172 -0.00682 -0.02858 0.00001 75 5XZ -0.00001 0.00001 0.00000 0.00002 -0.02549 76 5YZ 0.00002 0.00000 0.00000 0.00000 0.13009 77 5 Cl 1S 0.00077 0.00000 0.00184 0.00000 -0.02192 78 2S -0.00359 0.00000 0.00145 0.00000 0.00001 79 2PX -0.03415 0.00000 -0.06948 -0.00001 0.06096 80 2PY -0.04029 0.00000 0.04904 0.00001 -0.00066 81 2PZ 0.00001 0.12946 0.00000 0.10836 0.00002 82 3S 0.00736 -0.00001 0.04898 0.00010 -0.51960 83 3PX 0.12986 0.00001 0.27905 0.00003 -0.24353 84 3PY 0.14508 0.00001 -0.18600 -0.00002 -0.02450 85 3PZ -0.00003 -0.50868 -0.00001 -0.44132 -0.00008 86 4S -0.06214 0.00003 -0.12339 -0.00020 0.97653 87 4PX -0.07372 -0.00002 -0.33418 -0.00005 0.34770 88 4PY -0.02803 -0.00001 0.15761 -0.00004 0.34622 89 4PZ 0.00004 0.60808 0.00001 0.60286 0.00011 90 5XX -0.00611 0.00000 -0.01480 0.00000 0.01995 91 5YY -0.02928 0.00000 0.03670 0.00003 -0.18316 92 5ZZ 0.03778 0.00000 -0.01200 0.00000 0.03280 93 5XY 0.02939 0.00000 0.08985 0.00001 0.00640 94 5XZ 0.00000 0.00012 0.00000 0.00929 0.00000 95 5YZ -0.00001 -0.04710 0.00000 -0.14691 -0.00001 96 6 Cl 1S 0.00077 0.00000 0.00185 0.00000 0.02192 97 2S -0.00359 0.00000 0.00145 0.00000 -0.00001 98 2PX 0.03415 0.00000 0.06949 -0.00001 0.06092 99 2PY 0.04030 -0.00001 -0.04905 0.00001 -0.00066 100 2PZ -0.00001 0.12945 0.00000 0.10835 0.00003 101 3S 0.00736 0.00001 0.04909 -0.00010 0.51951 102 3PX -0.12989 0.00002 -0.27907 0.00004 -0.24337 103 3PY -0.14513 0.00002 0.18601 -0.00003 -0.02451 104 3PZ 0.00004 -0.50864 -0.00001 -0.44131 -0.00011 105 4S -0.06209 -0.00003 -0.12357 0.00019 -0.97635 106 4PX 0.07379 -0.00002 0.33421 -0.00006 0.34746 107 4PY 0.02804 -0.00001 -0.15756 -0.00003 0.34619 108 4PZ -0.00004 0.60805 0.00000 0.60283 0.00014 109 5XX -0.00612 0.00000 -0.01482 0.00000 -0.01995 110 5YY -0.02927 0.00001 0.03675 -0.00003 0.18313 111 5ZZ 0.03777 0.00000 -0.01201 0.00000 -0.03280 112 5XY 0.02940 0.00000 0.08984 -0.00001 -0.00644 113 5XZ 0.00000 -0.00013 0.00000 -0.00930 0.00000 114 5YZ -0.00001 0.04710 0.00000 0.14690 0.00002 115 7 Br 1S 0.00817 0.00000 0.00223 0.00000 0.00343 116 2S -0.07219 0.00000 -0.01878 0.00000 -0.02975 117 3S 0.12304 -0.00001 0.03063 0.00000 0.05024 118 4S 0.09947 -0.00001 0.02828 0.00000 0.04106 119 5S -1.61361 0.00008 -0.42450 0.00004 -0.74551 120 6S 3.67417 -0.00019 0.95903 -0.00009 1.71899 121 7PX -0.01246 0.00000 -0.03678 0.00000 -0.00123 122 7PY -0.01855 0.00000 0.04041 0.00000 0.00280 123 7PZ 0.00000 0.06095 0.00000 -0.02520 0.00000 124 8PX 0.03945 0.00000 0.11819 0.00001 0.00371 125 8PY 0.05923 0.00001 -0.13010 -0.00002 -0.00931 126 8PZ -0.00001 -0.19596 0.00000 0.08113 0.00001 127 9PX -0.08692 0.00000 -0.37806 -0.00002 0.00557 128 9PY -0.16534 -0.00004 0.43545 0.00005 0.04819 129 9PZ 0.00003 0.64013 -0.00001 -0.26903 -0.00003 130 10PX -0.22366 0.00002 0.26932 0.00002 -0.11771 131 10PY -0.06329 0.00005 -0.45573 -0.00003 -0.18681 132 10PZ -0.00004 -0.56456 0.00001 0.26218 0.00003 133 11XX -0.04875 0.00001 -0.06083 0.00001 -0.08322 134 11YY -0.10420 0.00000 0.07244 0.00000 0.02372 135 11ZZ -0.02639 0.00001 -0.05572 -0.00001 -0.01257 136 11XY 0.07353 0.00000 0.01204 -0.00001 0.03322 137 11XZ 0.00000 0.04291 0.00000 -0.07329 -0.00002 138 11YZ 0.00001 0.02737 0.00000 0.00113 0.00000 139 12XX -0.68560 0.00002 0.06279 -0.00004 -0.00574 140 12YY -0.44068 0.00006 -0.57745 0.00001 -0.52128 141 12ZZ -0.82460 0.00002 0.02350 0.00008 -0.35777 142 12XY -0.30998 0.00002 -0.04762 0.00004 -0.14717 143 12XZ 0.00002 -0.20330 0.00002 0.35029 0.00008 144 12YZ -0.00005 -0.13021 -0.00001 -0.00242 0.00002 145 8 Br 1S 0.00817 0.00000 0.00223 0.00000 -0.00343 146 2S -0.07220 0.00000 -0.01878 0.00000 0.02974 147 3S 0.12304 0.00000 0.03062 0.00001 -0.05023 148 4S 0.09947 0.00000 0.02826 0.00000 -0.04105 149 5S -1.61369 -0.00004 -0.42440 -0.00008 0.74537 150 6S 3.67437 0.00008 0.95882 0.00019 -1.71868 151 7PX 0.01246 0.00000 0.03679 0.00000 -0.00124 152 7PY 0.01854 0.00000 -0.04041 0.00001 0.00281 153 7PZ 0.00000 0.06095 0.00000 -0.02519 0.00000 154 8PX -0.03946 0.00000 -0.11822 0.00001 0.00374 155 8PY -0.05922 0.00001 0.13011 -0.00002 -0.00932 156 8PZ 0.00000 -0.19594 0.00000 0.08112 0.00000 157 9PX 0.08695 -0.00001 0.37816 -0.00003 0.00549 158 9PY 0.16530 -0.00004 -0.43549 0.00007 0.04823 159 9PZ 0.00000 0.64009 0.00001 -0.26900 -0.00001 160 10PX 0.22367 0.00001 -0.26941 0.00004 -0.11760 161 10PY 0.06337 0.00004 0.45576 -0.00005 -0.18683 162 10PZ 0.00002 -0.56451 -0.00001 0.26214 0.00001 163 11XX -0.04875 0.00000 -0.06083 -0.00001 0.08323 164 11YY -0.10414 0.00001 0.07246 -0.00001 -0.02372 165 11ZZ -0.02646 0.00000 -0.05574 0.00001 0.01255 166 11XY 0.07351 0.00000 0.01200 0.00001 -0.03321 167 11XZ 0.00000 -0.04290 0.00000 0.07328 0.00002 168 11YZ 0.00001 -0.02738 0.00000 -0.00112 0.00000 169 12XX -0.68566 0.00000 0.06283 0.00002 0.00565 170 12YY -0.44098 -0.00005 -0.57751 -0.00002 0.52122 171 12ZZ -0.82433 0.00000 0.02363 -0.00010 0.35776 172 12XY -0.30986 -0.00001 -0.04746 -0.00004 0.14709 173 12XZ 0.00002 0.20322 0.00001 -0.35026 -0.00007 174 12YZ -0.00003 0.13028 0.00000 0.00239 -0.00001 121 122 123 124 125 V V V V V Eigenvalues -- 0.52965 0.53440 0.54000 0.54811 0.54845 1 1 Al 1S 0.00308 0.00191 0.00000 -0.00001 0.00634 2 2S -0.00457 -0.00907 -0.00001 -0.00008 0.05480 3 2PX -0.02319 0.00789 0.00000 0.00000 -0.00021 4 2PY 0.01263 -0.00316 0.00000 0.00006 -0.04102 5 2PZ 0.00000 0.00000 0.00656 -0.03213 -0.00005 6 3S 0.11593 0.07858 0.00002 -0.00079 0.53358 7 3PX 0.00695 -0.13175 0.00000 0.00005 -0.04740 8 3PY -0.00818 -0.16103 0.00000 -0.00007 0.05659 9 3PZ 0.00000 0.00001 0.03569 0.07563 0.00015 10 4S -0.78774 -0.66417 -0.00015 0.00282 -1.82923 11 4PX -0.89065 0.12842 -0.00013 -0.00047 0.30016 12 4PY -0.44888 -0.65905 -0.00019 0.00114 -0.73360 13 4PZ 0.00000 0.00004 -0.02606 -0.88158 -0.00140 14 5XX 0.00933 0.10459 -0.00003 0.00063 -0.40887 15 5YY -0.09076 -0.06001 0.00001 0.00003 -0.02724 16 5ZZ 0.01370 -0.19332 -0.00002 -0.00049 0.32916 17 5XY -0.04207 0.07072 0.00001 -0.00028 0.17539 18 5XZ -0.00001 0.00001 -0.00771 0.27974 0.00039 19 5YZ 0.00001 -0.00001 -0.19791 0.18447 0.00031 20 2 Al 1S 0.00308 -0.00191 0.00000 0.00001 -0.00634 21 2S -0.00457 0.00907 0.00000 0.00008 -0.05480 22 2PX 0.02320 0.00790 0.00000 0.00000 -0.00020 23 2PY -0.01263 -0.00317 0.00000 0.00006 -0.04101 24 2PZ 0.00000 0.00000 -0.00655 0.03213 0.00004 25 3S 0.11613 -0.07847 0.00001 0.00082 -0.53361 26 3PX -0.00687 -0.13169 -0.00001 0.00010 -0.04743 27 3PY 0.00828 -0.16106 -0.00002 -0.00009 0.05662 28 3PZ 0.00000 0.00000 -0.03584 -0.07555 -0.00008 29 4S -0.78891 0.66366 -0.00005 -0.00277 1.82916 30 4PX 0.89047 0.12901 0.00010 -0.00046 0.30026 31 4PY 0.44955 -0.65899 0.00012 0.00110 -0.73360 32 4PZ 0.00001 0.00005 0.02583 0.88171 0.00127 33 5XX 0.00937 -0.10453 -0.00004 -0.00061 0.40888 34 5YY -0.09090 0.05988 0.00003 -0.00005 0.02723 35 5ZZ 0.01363 0.19338 -0.00001 0.00049 -0.32921 36 5XY -0.04195 -0.07075 0.00000 0.00025 -0.17529 37 5XZ 0.00000 0.00000 -0.00780 0.27975 0.00046 38 5YZ 0.00001 0.00004 -0.19790 0.18452 0.00025 39 3 Cl 1S -0.00129 0.00000 0.00001 0.00000 0.00000 40 2S 0.00121 0.00000 0.00000 0.00000 0.00000 41 2PX -0.00003 0.07297 0.02211 -0.04693 0.05846 42 2PY -0.00004 0.12130 -0.13953 -0.00208 -0.01073 43 2PZ -0.03567 -0.00001 -0.00003 0.00002 -0.00001 44 3S -0.02839 -0.00003 0.00026 -0.00006 -0.00006 45 3PX 0.00012 -0.31635 -0.08235 0.20842 -0.23832 46 3PY 0.00015 -0.49966 0.56993 -0.01290 0.03738 47 3PZ 0.14505 0.00003 0.00012 -0.00006 0.00004 48 4S -0.03141 0.00002 -0.00047 0.00010 0.00015 49 4PX -0.00026 0.61310 0.06526 -0.52420 0.51822 50 4PY -0.00023 0.73850 -0.73707 0.18137 0.00367 51 4PZ -0.22347 -0.00008 -0.00022 0.00009 0.00003 52 5XX -0.09065 -0.00003 0.00003 -0.00002 0.00000 53 5YY 0.04029 0.00001 -0.00003 0.00002 0.00004 54 5ZZ 0.04492 0.00002 0.00007 -0.00002 -0.00006 55 5XY -0.01143 0.00001 -0.00005 0.00001 0.00000 56 5XZ 0.00004 -0.11756 0.04612 0.05276 -0.01889 57 5YZ 0.00005 -0.13685 0.11591 -0.11637 0.00285 58 4 Cl 1S -0.00129 0.00000 -0.00001 0.00001 0.00000 59 2S 0.00121 0.00000 0.00000 0.00000 0.00000 60 2PX -0.00003 0.07298 -0.02210 0.04676 0.05860 61 2PY -0.00006 0.12128 0.13954 0.00211 -0.01072 62 2PZ 0.03567 0.00002 -0.00002 0.00001 -0.00001 63 3S -0.02837 0.00011 -0.00034 0.00021 0.00001 64 3PX 0.00015 -0.31636 0.08231 -0.20769 -0.23896 65 3PY 0.00026 -0.49960 -0.57000 0.01280 0.03742 66 3PZ -0.14506 -0.00009 0.00011 -0.00003 0.00002 67 4S -0.03144 -0.00024 0.00063 -0.00041 -0.00002 68 4PX -0.00031 0.61311 -0.06519 0.52260 0.51982 69 4PY -0.00037 0.73841 0.73718 -0.18139 0.00311 70 4PZ 0.22349 0.00014 -0.00024 0.00009 0.00000 71 5XX -0.09065 -0.00001 -0.00005 0.00003 -0.00004 72 5YY 0.04029 0.00002 0.00005 -0.00002 0.00000 73 5ZZ 0.04492 0.00002 -0.00009 0.00004 0.00004 74 5XY -0.01143 0.00000 0.00007 -0.00004 0.00001 75 5XZ -0.00005 0.11756 0.04613 0.05270 0.01905 76 5YZ -0.00006 0.13683 0.11593 -0.11637 -0.00320 77 5 Cl 1S -0.00807 0.01203 0.00000 -0.00002 0.01034 78 2S 0.00262 -0.00582 0.00000 0.00002 -0.01443 79 2PX 0.16149 -0.07788 0.00001 -0.00007 0.04535 80 2PY 0.05304 -0.01607 0.00001 0.00010 -0.06403 81 2PZ -0.00001 -0.00001 0.13293 0.10580 0.00017 82 3S -0.18316 0.26857 0.00004 -0.00034 0.20637 83 3PX -0.64727 0.30399 -0.00003 0.00028 -0.19297 84 3PY -0.21875 0.06179 -0.00004 -0.00040 0.24843 85 3PZ 0.00004 0.00004 -0.52150 -0.43634 -0.00072 86 4S 0.29499 -0.56781 -0.00011 0.00042 -0.24140 87 4PX 0.88519 -0.31685 0.00007 -0.00043 0.28670 88 4PY 0.36434 -0.10044 0.00004 0.00036 -0.20745 89 4PZ -0.00005 -0.00005 0.58246 0.68088 0.00111 90 5XX 0.01272 0.05759 0.00001 -0.00003 0.02030 91 5YY -0.06597 0.01550 0.00000 -0.00001 -0.00132 92 5ZZ 0.00615 -0.00598 0.00000 -0.00003 0.02414 93 5XY -0.05251 -0.00433 -0.00002 0.00022 -0.13578 94 5XZ 0.00000 0.00000 0.03557 0.01660 0.00003 95 5YZ 0.00001 0.00001 0.02160 -0.11803 -0.00019 96 6 Cl 1S -0.00806 -0.01204 0.00000 0.00001 -0.01034 97 2S 0.00261 0.00582 0.00000 -0.00002 0.01443 98 2PX -0.16145 -0.07799 -0.00001 -0.00007 0.04533 99 2PY -0.05305 -0.01612 -0.00001 0.00009 -0.06403 100 2PZ 0.00001 0.00000 -0.13294 -0.10580 -0.00014 101 3S -0.18314 -0.26886 0.00004 0.00028 -0.20635 102 3PX 0.64712 0.30441 0.00005 0.00030 -0.19290 103 3PY 0.21879 0.06201 0.00004 -0.00034 0.24842 104 3PZ -0.00003 -0.00001 0.52152 0.43634 0.00059 105 4S 0.29496 0.56836 -0.00010 -0.00029 0.24138 106 4PX -0.88503 -0.31742 -0.00008 -0.00043 0.28659 107 4PY -0.36451 -0.10083 -0.00003 0.00026 -0.20742 108 4PZ 0.00004 0.00000 -0.58244 -0.68091 -0.00094 109 5XX 0.01279 -0.05758 0.00000 0.00003 -0.02032 110 5YY -0.06603 -0.01558 0.00001 -0.00002 0.00135 111 5ZZ 0.00614 0.00598 0.00000 0.00004 -0.02415 112 5XY -0.05252 0.00429 -0.00001 -0.00019 0.13575 113 5XZ 0.00000 0.00000 0.03558 0.01661 0.00002 114 5YZ 0.00000 -0.00001 0.02162 -0.11804 -0.00017 115 7 Br 1S 0.00585 0.00329 0.00000 -0.00001 0.00499 116 2S -0.04960 -0.02437 -0.00001 0.00006 -0.04075 117 3S 0.08225 0.03553 0.00002 -0.00010 0.06512 118 4S 0.07076 0.04156 0.00002 -0.00009 0.06254 119 5S -1.23427 -0.59983 -0.00027 0.00153 -0.99970 120 6S 2.88271 1.37201 0.00063 -0.00351 2.29247 121 7PX 0.01000 0.01309 0.00000 -0.00002 0.01710 122 7PY -0.00499 0.04000 0.00001 0.00000 -0.00558 123 7PZ 0.00000 0.00000 0.02879 -0.04350 -0.00007 124 8PX -0.03257 -0.04256 0.00000 0.00007 -0.05553 125 8PY 0.01565 -0.12892 -0.00002 -0.00001 0.01778 126 8PZ 0.00000 -0.00001 -0.09270 0.14034 0.00023 127 9PX 0.13249 0.16504 0.00002 -0.00028 0.21331 128 9PY -0.02664 0.43205 0.00007 0.00002 -0.04314 129 9PZ 0.00001 0.00003 0.30689 -0.47775 -0.00080 130 10PX -0.31695 -0.34737 -0.00007 0.00064 -0.44884 131 10PY -0.17817 -0.44068 -0.00010 0.00014 -0.06359 132 10PZ -0.00002 -0.00004 -0.28304 0.55748 0.00092 133 11XX -0.04488 -0.01990 0.00000 -0.00004 0.02313 134 11YY 0.01716 -0.03080 -0.00001 0.00016 -0.10467 135 11ZZ -0.08935 0.00328 -0.00001 0.00001 -0.01029 136 11XY 0.00999 -0.01024 0.00000 -0.00004 0.02846 137 11XZ 0.00000 0.00000 0.01117 -0.07117 -0.00011 138 11YZ 0.00000 0.00000 0.01382 -0.02194 -0.00003 139 12XX -0.45001 -0.18365 -0.00013 0.00097 -0.63087 140 12YY -0.74481 -0.15862 -0.00009 0.00001 -0.02209 141 12ZZ -0.25025 -0.30924 -0.00009 0.00076 -0.48269 142 12XY -0.03408 0.04900 0.00000 0.00017 -0.12139 143 12XZ -0.00002 -0.00002 -0.05781 0.34099 0.00052 144 12YZ 0.00002 0.00001 -0.06883 0.10575 0.00016 145 8 Br 1S 0.00585 -0.00329 0.00000 0.00001 -0.00499 146 2S -0.04962 0.02435 -0.00001 -0.00006 0.04074 147 3S 0.08229 -0.03549 0.00001 0.00010 -0.06511 148 4S 0.07080 -0.04152 0.00001 0.00010 -0.06253 149 5S -1.23499 0.59922 -0.00015 -0.00153 0.99962 150 6S 2.88437 -1.37056 0.00035 0.00350 -2.29235 151 7PX -0.01002 0.01307 0.00000 -0.00003 0.01709 152 7PY 0.00496 0.04001 0.00000 0.00001 -0.00558 153 7PZ 0.00000 0.00001 -0.02879 0.04351 0.00006 154 8PX 0.03263 -0.04252 0.00000 0.00010 -0.05548 155 8PY -0.01557 -0.12894 0.00000 -0.00004 0.01778 156 8PZ 0.00000 -0.00002 0.09271 -0.14036 -0.00019 157 9PX -0.13273 0.16490 0.00001 -0.00039 0.21314 158 9PY 0.02635 0.43210 -0.00002 0.00010 -0.04315 159 9PZ -0.00001 0.00007 -0.30694 0.47779 0.00064 160 10PX 0.31735 -0.34715 0.00001 0.00074 -0.44866 161 10PY 0.17854 -0.44062 0.00004 0.00006 -0.06360 162 10PZ 0.00002 -0.00008 0.28313 -0.55755 -0.00076 163 11XX -0.04491 0.01986 0.00000 0.00003 -0.02312 164 11YY 0.01714 0.03083 -0.00001 -0.00015 0.10466 165 11ZZ -0.08936 -0.00334 -0.00001 -0.00002 0.01028 166 11XY 0.00998 0.01025 0.00000 0.00004 -0.02848 167 11XZ 0.00000 -0.00001 0.01120 -0.07118 -0.00011 168 11YZ 0.00000 0.00000 0.01381 -0.02194 -0.00003 169 12XX -0.45024 0.18350 -0.00010 -0.00095 0.63081 170 12YY -0.74507 0.15813 -0.00005 -0.00007 0.02211 171 12ZZ -0.25057 0.30914 -0.00003 -0.00071 0.48267 172 12XY -0.03403 -0.04902 0.00000 -0.00019 0.12148 173 12XZ -0.00001 0.00003 -0.05790 0.34103 0.00051 174 12YZ 0.00001 0.00001 -0.06877 0.10574 0.00016 126 127 128 129 130 V V V V V Eigenvalues -- 0.55706 0.57168 0.57750 0.58180 0.61006 1 1 Al 1S 0.00000 -0.00550 -0.00014 0.00000 0.00000 2 2S -0.00005 0.05409 -0.00220 0.00001 0.00001 3 2PX 0.00000 0.01159 -0.01882 -0.00002 0.00000 4 2PY -0.00001 0.01332 -0.03397 -0.00001 0.00000 5 2PZ -0.01370 -0.00001 0.00000 -0.00245 0.01904 6 3S -0.00006 -0.05025 0.04587 0.00001 -0.00003 7 3PX 0.00001 0.02498 0.09645 0.00008 0.00004 8 3PY 0.00003 -0.01741 -0.05867 -0.00006 -0.00002 9 3PZ 0.32403 0.00020 0.00007 -0.16232 -0.18575 10 4S -0.00004 0.47372 -0.40674 -0.00020 0.00013 11 4PX -0.00057 0.74399 -0.47714 -0.00034 -0.00011 12 4PY -0.00011 0.26381 -1.16385 -0.00066 0.00005 13 4PZ 0.39534 0.00014 0.00000 -0.18127 0.59645 14 5XX 0.00003 -0.08798 -0.29931 -0.00015 0.00003 15 5YY 0.00008 -0.12165 0.26778 0.00016 -0.00004 16 5ZZ -0.00024 0.46164 -0.13498 -0.00010 0.00005 17 5XY -0.00002 0.03489 0.08734 0.00004 -0.00004 18 5XZ -0.19252 -0.00009 0.00012 -0.15490 -0.50045 19 5YZ 0.04015 0.00003 -0.00003 0.08884 0.01739 20 2 Al 1S 0.00000 0.00550 -0.00014 0.00000 0.00000 21 2S 0.00005 -0.05409 -0.00211 0.00001 -0.00001 22 2PX 0.00000 0.01160 0.01880 0.00001 0.00000 23 2PY -0.00001 0.01337 0.03396 0.00001 0.00000 24 2PZ -0.01371 -0.00001 0.00000 0.00245 0.01904 25 3S 0.00008 0.05029 0.04604 0.00001 0.00003 26 3PX 0.00000 0.02487 -0.09650 -0.00008 0.00002 27 3PY 0.00003 -0.01732 0.05866 0.00006 -0.00001 28 3PZ 0.32400 0.00023 -0.00011 0.16236 -0.18577 29 4S -0.00005 -0.47398 -0.40694 -0.00019 -0.00015 30 4PX -0.00055 0.74445 0.47559 0.00020 -0.00012 31 4PY 0.00004 0.26535 1.16368 0.00064 0.00009 32 4PZ 0.39508 0.00015 -0.00003 0.18140 0.59641 33 5XX -0.00008 0.08761 -0.29955 -0.00017 -0.00005 34 5YY -0.00005 0.12199 0.26766 0.00015 0.00005 35 5ZZ 0.00023 -0.46176 -0.13433 -0.00004 -0.00004 36 5XY 0.00003 -0.03483 0.08734 0.00005 0.00003 37 5XZ 0.19247 0.00007 0.00010 -0.15485 0.50048 38 5YZ -0.04031 -0.00003 -0.00002 0.08883 -0.01733 39 3 Cl 1S -0.04333 -0.00003 -0.01481 -0.00001 -0.00081 40 2S -0.00195 -0.00001 -0.01308 -0.00001 -0.03750 41 2PX 0.00001 -0.00038 0.00009 -0.17593 0.00003 42 2PY -0.00005 0.01440 0.00002 0.01165 0.00000 43 2PZ 0.07062 0.00005 -0.00622 0.00000 -0.12912 44 3S -1.03175 -0.00078 -0.38296 -0.00030 -0.10974 45 3PX -0.00006 0.03790 -0.00040 0.71066 -0.00011 46 3PY 0.00021 -0.06340 -0.00008 -0.04812 -0.00001 47 3PZ -0.33025 -0.00025 -0.00252 -0.00001 0.50625 48 4S 1.93670 0.00148 0.83709 0.00065 0.65985 49 4PX 0.00022 -0.31432 0.00064 -0.92090 0.00011 50 4PY -0.00030 0.04318 0.00015 0.08022 0.00000 51 4PZ 0.73744 0.00063 0.23740 0.00018 -0.49052 52 5XX -0.14867 -0.00012 -0.10071 -0.00007 -0.10797 53 5YY 0.12792 0.00018 0.13237 0.00009 0.00260 54 5ZZ -0.26008 -0.00028 -0.15162 -0.00011 0.02537 55 5XY 0.17290 0.00007 0.03569 0.00004 0.18976 56 5XZ -0.00004 0.13897 -0.00008 0.00351 0.00003 57 5YZ 0.00010 -0.04352 -0.00001 0.02019 0.00000 58 4 Cl 1S 0.04332 0.00002 -0.01481 0.00000 0.00081 59 2S 0.00195 -0.00001 -0.01308 -0.00001 0.03750 60 2PX -0.00005 -0.00036 -0.00008 0.17594 0.00001 61 2PY 0.00004 0.01440 -0.00001 -0.01165 0.00000 62 2PZ 0.07063 0.00005 0.00621 0.00000 -0.12912 63 3S 1.03168 0.00036 -0.38308 -0.00011 0.10971 64 3PX 0.00016 0.03782 0.00031 -0.71068 -0.00003 65 3PY -0.00016 -0.06341 0.00005 0.04812 -0.00001 66 3PZ -0.33027 -0.00020 0.00257 0.00000 0.50625 67 4S -1.93652 -0.00057 0.83730 0.00024 -0.65978 68 4PX -0.00010 -0.31421 -0.00025 0.92094 0.00003 69 4PY 0.00026 0.04318 -0.00004 -0.08022 0.00003 70 4PZ 0.73741 0.00032 -0.23750 -0.00011 -0.49055 71 5XX 0.14865 0.00000 -0.10072 -0.00004 0.10797 72 5YY -0.12791 -0.00001 0.13239 0.00008 -0.00260 73 5ZZ 0.26006 0.00010 -0.15165 -0.00007 -0.02538 74 5XY -0.17289 -0.00009 0.03571 0.00000 -0.18976 75 5XZ 0.00007 -0.13897 0.00009 0.00352 0.00000 76 5YZ 0.00004 0.04352 -0.00005 0.02018 0.00002 77 5 Cl 1S 0.00000 0.00490 0.02531 0.00001 0.00000 78 2S 0.00000 -0.00587 0.00035 0.00000 0.00000 79 2PX 0.00007 -0.11300 0.01011 0.00002 0.00001 80 2PY 0.00004 -0.06746 -0.00474 0.00000 -0.00002 81 2PZ 0.01041 0.00002 0.00000 -0.01311 -0.06528 82 3S -0.00006 0.09804 0.60388 0.00034 0.00003 83 3PX -0.00029 0.46247 -0.05520 -0.00009 -0.00004 84 3PY -0.00016 0.27038 0.03065 0.00000 0.00007 85 3PZ -0.03422 -0.00007 -0.00001 0.04562 0.26688 86 4S 0.00008 -0.13851 -1.32834 -0.00076 -0.00003 87 4PX 0.00043 -0.68839 0.20382 0.00019 0.00005 88 4PY 0.00019 -0.31778 -0.26333 -0.00013 -0.00008 89 4PZ -0.04953 0.00005 0.00002 0.00591 -0.39979 90 5XX 0.00002 -0.03401 0.00210 0.00000 0.00000 91 5YY -0.00001 0.00607 0.13575 0.00008 0.00000 92 5ZZ -0.00003 0.05696 0.00877 0.00000 0.00002 93 5XY -0.00005 0.08200 -0.12116 -0.00007 0.00001 94 5XZ 0.02498 0.00001 0.00002 -0.03840 -0.07084 95 5YZ 0.03176 0.00002 0.00001 -0.06692 -0.00082 96 6 Cl 1S 0.00001 -0.00486 0.02532 0.00001 0.00000 97 2S 0.00000 0.00587 0.00034 0.00000 0.00000 98 2PX 0.00008 -0.11300 -0.00998 0.00000 0.00001 99 2PY 0.00004 -0.06746 0.00482 0.00001 -0.00002 100 2PZ 0.01035 0.00002 -0.00001 0.01311 -0.06528 101 3S 0.00013 -0.09715 0.60401 0.00035 -0.00002 102 3PX -0.00031 0.46249 0.05468 0.00002 -0.00003 103 3PY -0.00017 0.27033 -0.03096 -0.00003 0.00009 104 3PZ -0.03403 -0.00008 0.00002 -0.04563 0.26688 105 4S -0.00022 0.13660 -1.32846 -0.00078 0.00000 106 4PX 0.00044 -0.68856 -0.20301 -0.00008 0.00005 107 4PY 0.00022 -0.31741 0.26368 0.00017 -0.00008 108 4PZ -0.04969 0.00005 -0.00002 -0.00593 -0.39978 109 5XX -0.00002 0.03402 0.00208 0.00000 0.00000 110 5YY 0.00002 -0.00588 0.13574 0.00008 0.00001 111 5ZZ 0.00003 -0.05694 0.00883 0.00001 -0.00001 112 5XY 0.00004 -0.08212 -0.12109 -0.00006 -0.00001 113 5XZ -0.02496 -0.00002 0.00002 -0.03840 0.07084 114 5YZ -0.03170 -0.00003 0.00001 -0.06694 0.00083 115 7 Br 1S 0.00000 -0.00737 0.00693 0.00000 0.00000 116 2S -0.00003 0.05610 -0.05414 -0.00003 0.00001 117 3S 0.00005 -0.08329 0.08273 0.00005 -0.00001 118 4S 0.00005 -0.09633 0.08941 0.00005 -0.00002 119 5S -0.00065 1.15110 -1.21841 -0.00073 0.00011 120 6S 0.00141 -2.50288 2.75255 0.00166 -0.00017 121 7PX 0.00002 -0.03609 0.00646 0.00000 -0.00002 122 7PY 0.00001 -0.01628 0.03683 0.00002 0.00000 123 7PZ -0.00299 -0.00001 -0.00003 0.04063 0.01874 124 8PX -0.00005 0.11678 -0.02125 -0.00001 0.00006 125 8PY -0.00004 0.05291 -0.11911 -0.00006 0.00001 126 8PZ 0.00947 0.00002 0.00008 -0.13104 -0.06051 127 9PX 0.00019 -0.41344 0.09429 0.00005 -0.00019 128 9PY 0.00016 -0.19886 0.42264 0.00022 -0.00003 129 9PZ -0.02269 -0.00007 -0.00028 0.44131 0.20524 130 10PX -0.00024 0.53809 -0.29521 -0.00017 0.00020 131 10PY -0.00025 0.33846 -0.52499 -0.00028 0.00003 132 10PZ -0.05508 0.00004 0.00027 -0.40841 -0.24728 133 11XX 0.00000 0.02120 0.02832 0.00001 0.00000 134 11YY -0.00001 0.02159 -0.08664 -0.00005 0.00000 135 11ZZ -0.00005 0.07139 -0.05639 -0.00003 0.00001 136 11XY 0.00000 -0.00621 -0.00994 -0.00001 0.00000 137 11XZ 0.03475 0.00001 0.00002 -0.05015 0.02738 138 11YZ -0.02888 -0.00002 -0.00002 0.03358 0.05170 139 12XX -0.00033 0.50709 -0.77116 -0.00043 0.00005 140 12YY -0.00027 0.49637 -0.21524 -0.00016 0.00004 141 12ZZ -0.00012 0.26021 -0.36409 -0.00022 0.00000 142 12XY -0.00002 0.03278 0.05175 0.00003 -0.00001 143 12XZ -0.15603 -0.00004 -0.00011 0.23304 -0.13976 144 12YZ 0.14269 0.00008 0.00010 -0.16642 -0.25656 145 8 Br 1S 0.00000 0.00738 0.00692 0.00000 0.00000 146 2S 0.00003 -0.05616 -0.05407 -0.00002 -0.00001 147 3S -0.00004 0.08338 0.08262 0.00004 0.00001 148 4S -0.00004 0.09642 0.08928 0.00004 0.00002 149 5S 0.00050 -1.15242 -1.21690 -0.00058 -0.00010 150 6S -0.00107 2.50590 2.74930 0.00132 0.00017 151 7PX 0.00002 -0.03609 -0.00642 0.00000 -0.00001 152 7PY 0.00001 -0.01633 -0.03680 -0.00002 0.00000 153 7PZ -0.00301 -0.00001 0.00003 -0.04063 0.01874 154 8PX -0.00005 0.11679 0.02112 0.00000 0.00005 155 8PY -0.00003 0.05304 0.11902 0.00005 0.00000 156 8PZ 0.00955 0.00004 -0.00009 0.13103 -0.06051 157 9PX 0.00018 -0.41350 -0.09383 -0.00002 -0.00017 158 9PY 0.00012 -0.19935 -0.42231 -0.00019 0.00001 159 9PZ -0.02293 -0.00014 0.00029 -0.44125 0.20524 160 10PX -0.00020 0.53837 0.29461 0.00013 0.00018 161 10PY -0.00020 0.33905 0.52449 0.00024 -0.00002 162 10PZ -0.05481 0.00011 -0.00026 0.40832 -0.24727 163 11XX 0.00001 -0.02117 0.02835 0.00002 0.00000 164 11YY 0.00000 -0.02169 -0.08661 -0.00004 0.00000 165 11ZZ 0.00004 -0.07145 -0.05631 -0.00003 -0.00001 166 11XY 0.00000 0.00619 -0.00993 -0.00001 0.00000 167 11XZ -0.03472 -0.00001 0.00003 -0.05016 -0.02737 168 11YZ 0.02888 0.00002 -0.00002 0.03357 -0.05171 169 12XX 0.00022 -0.50796 -0.77055 -0.00038 -0.00005 170 12YY 0.00025 -0.49657 -0.21460 -0.00009 -0.00005 171 12ZZ 0.00008 -0.26062 -0.36369 -0.00018 0.00000 172 12XY 0.00002 -0.03271 0.05173 0.00004 0.00000 173 12XZ 0.15591 0.00006 -0.00012 0.23309 0.13973 174 12YZ -0.14270 -0.00011 0.00011 -0.16640 0.25661 131 132 133 134 135 V V V V V Eigenvalues -- 0.61850 0.64347 0.64736 0.64992 0.65803 1 1 Al 1S 0.00153 0.00953 0.00000 -0.00934 -0.00391 2 2S -0.00224 0.04116 0.00000 -0.03722 0.02485 3 2PX -0.00684 -0.02589 0.00003 -0.02301 -0.00837 4 2PY -0.02102 0.00283 0.00002 -0.02905 0.01140 5 2PZ 0.00000 0.00000 0.01421 0.00001 0.00002 6 3S 0.06979 0.64220 0.00010 -0.59822 0.02771 7 3PX -0.11113 -0.07326 0.00003 -0.00324 0.38520 8 3PY 0.03031 0.05538 0.00001 -0.07745 0.02690 9 3PZ 0.00001 -0.00002 -0.06124 -0.00008 -0.00011 10 4S -0.45525 -2.43215 -0.00036 2.12329 -0.61978 11 4PX -0.14555 1.78038 -0.00021 -0.82100 0.02574 12 4PY 0.97564 -0.43502 -0.00051 0.96696 0.53679 13 4PZ 0.00002 -0.00011 -0.61612 -0.00043 -0.00038 14 5XX 0.15213 -0.26599 -0.00001 0.24747 -0.20308 15 5YY -0.33066 0.02952 0.00010 -0.14517 -0.08420 16 5ZZ 0.09418 0.00808 -0.00010 0.06743 0.10392 17 5XY 0.21988 0.23333 -0.00019 0.11371 -0.04179 18 5XZ 0.00000 -0.00017 -0.18989 -0.00015 -0.00005 19 5YZ 0.00004 -0.00004 -0.19567 -0.00014 -0.00009 20 2 Al 1S 0.00152 -0.00953 0.00000 0.00934 -0.00392 21 2S -0.00229 -0.04116 0.00000 0.03720 0.02486 22 2PX 0.00684 -0.02588 0.00003 -0.02302 0.00837 23 2PY 0.02103 0.00283 0.00002 -0.02904 -0.01143 24 2PZ 0.00000 0.00000 0.01421 0.00001 -0.00002 25 3S 0.06916 -0.64218 -0.00011 0.59811 0.02760 26 3PX 0.11111 -0.07337 0.00001 -0.00297 -0.38521 27 3PY -0.03021 0.05530 0.00001 -0.07740 -0.02683 28 3PZ -0.00002 -0.00003 -0.06124 -0.00006 0.00012 29 4S -0.45286 2.43219 0.00035 -2.12277 -0.61928 30 4PX 0.14711 1.78049 -0.00019 -0.82094 -0.02579 31 4PY -0.97597 -0.43432 -0.00055 0.96708 -0.53585 32 4PZ 0.00002 -0.00013 -0.61608 -0.00041 0.00040 33 5XX 0.15227 0.26589 0.00000 -0.24725 -0.20311 34 5YY -0.33059 -0.02937 -0.00010 0.14512 -0.08399 35 5ZZ 0.09417 -0.00812 0.00011 -0.06746 0.10392 36 5XY 0.21987 -0.23341 0.00019 -0.11370 -0.04197 37 5XZ 0.00003 0.00018 0.18988 0.00013 -0.00009 38 5YZ 0.00004 0.00006 0.19570 0.00013 -0.00010 39 3 Cl 1S 0.00274 0.00000 0.01118 0.00002 -0.02761 40 2S 0.00624 -0.00001 0.00178 0.00000 0.00405 41 2PX 0.00000 -0.08184 0.00007 -0.07647 -0.00002 42 2PY -0.00001 0.00001 0.00007 -0.08098 -0.00002 43 2PZ -0.01576 -0.00002 0.01846 0.00000 0.05286 44 3S 0.08012 -0.00001 0.27545 0.00050 -0.65471 45 3PX 0.00001 0.32060 -0.00031 0.33469 0.00012 46 3PY 0.00006 0.00948 -0.00027 0.33235 0.00009 47 3PZ 0.07031 0.00008 -0.09000 0.00001 -0.23998 48 4S -0.28165 0.00010 -0.73932 -0.00116 1.17979 49 4PX 0.00013 -0.09941 0.00051 -0.78476 -0.00032 50 4PY -0.00015 -0.20187 0.00046 -0.43721 -0.00023 51 4PZ -0.19350 0.00001 0.17459 -0.00009 0.52774 52 5XX 0.04161 0.00007 0.28592 0.00017 0.09025 53 5YY -0.04903 0.00002 -0.04323 -0.00002 -0.00348 54 5ZZ 0.03652 -0.00011 -0.18094 -0.00004 -0.23628 55 5XY 0.03652 0.00006 0.08760 0.00000 0.16723 56 5XZ -0.00003 -0.07059 -0.00002 0.08442 0.00007 57 5YZ -0.00001 0.04696 -0.00002 -0.02495 0.00016 58 4 Cl 1S 0.00274 0.00000 -0.01118 0.00000 -0.02761 59 2S 0.00625 0.00001 -0.00178 0.00000 0.00405 60 2PX 0.00000 -0.08184 0.00008 -0.07647 0.00003 61 2PY 0.00001 0.00001 0.00006 -0.08098 -0.00006 62 2PZ 0.01575 -0.00003 0.01846 0.00003 -0.05286 63 3S 0.08013 -0.00009 -0.27547 0.00002 -0.65470 64 3PX -0.00001 0.32058 -0.00034 0.33467 -0.00012 65 3PY -0.00002 0.00948 -0.00026 0.33236 0.00025 66 3PZ -0.07028 0.00010 -0.08999 -0.00013 0.23998 67 4S -0.28168 0.00012 0.73935 0.00010 1.17976 68 4PX 0.00014 -0.09940 0.00056 -0.78472 0.00028 69 4PY -0.00007 -0.20186 0.00042 -0.43722 -0.00048 70 4PZ 0.19347 -0.00009 0.17456 0.00030 -0.52774 71 5XX 0.04161 -0.00010 -0.28590 -0.00022 0.09026 72 5YY -0.04904 0.00002 0.04323 0.00002 -0.00348 73 5ZZ 0.03652 0.00007 0.18093 0.00021 -0.23628 74 5XY 0.03651 -0.00007 -0.08759 -0.00012 0.16725 75 5XZ 0.00000 0.07058 0.00005 -0.08442 0.00004 76 5YZ -0.00006 -0.04697 0.00002 0.02495 -0.00001 77 5 Cl 1S -0.01799 -0.01133 0.00000 0.00830 -0.01495 78 2S -0.02230 0.00152 0.00001 -0.01664 -0.00776 79 2PX 0.01103 -0.10536 0.00004 0.01384 0.04595 80 2PY -0.09723 0.03769 0.00008 -0.11483 -0.01204 81 2PZ 0.00000 0.00001 0.05854 0.00004 0.00002 82 3S -0.48880 -0.26670 0.00001 0.15462 -0.37796 83 3PX -0.05384 0.43553 -0.00014 -0.06402 -0.17942 84 3PY 0.36544 -0.15880 -0.00030 0.46249 0.03671 85 3PZ 0.00001 -0.00004 -0.24208 -0.00017 -0.00009 86 4S 1.37077 0.55938 -0.00021 -0.08006 0.95000 87 4PX 0.10955 -0.72893 0.00020 0.16319 0.15480 88 4PY -0.06411 0.29221 0.00028 -0.52492 0.12966 89 4PZ -0.00003 0.00007 0.38793 0.00027 0.00016 90 5XX 0.08397 0.01289 -0.00002 0.03101 -0.03943 91 5YY -0.21057 -0.03208 0.00005 -0.04336 -0.06763 92 5ZZ -0.00874 -0.04617 -0.00002 0.03861 0.00732 93 5XY -0.09825 -0.00672 0.00005 -0.06565 0.07666 94 5XZ 0.00001 -0.00003 -0.03132 -0.00002 -0.00004 95 5YZ 0.00001 -0.00001 -0.01581 -0.00001 -0.00001 96 6 Cl 1S -0.01798 0.01134 0.00000 -0.00829 -0.01493 97 2S -0.02230 -0.00151 -0.00001 0.01664 -0.00773 98 2PX -0.01111 -0.10537 0.00003 0.01388 -0.04596 99 2PY 0.09725 0.03763 0.00007 -0.11481 0.01195 100 2PZ 0.00000 0.00001 0.05853 0.00004 -0.00002 101 3S -0.48852 0.26692 -0.00003 -0.15438 -0.37746 102 3PX 0.05416 0.43559 -0.00013 -0.06419 0.17947 103 3PY -0.36555 -0.15858 -0.00030 0.46239 -0.03638 104 3PZ 0.00000 -0.00005 -0.24207 -0.00016 0.00010 105 4S 1.37013 -0.56000 0.00027 0.07953 0.94860 106 4PX -0.11007 -0.72903 0.00018 0.16333 -0.15485 107 4PY 0.06438 0.29209 0.00027 -0.52473 -0.12970 108 4PZ 0.00001 0.00008 0.38791 0.00026 -0.00017 109 5XX 0.08399 -0.01294 0.00002 -0.03099 -0.03948 110 5YY -0.21055 0.03218 -0.00006 0.04339 -0.06742 111 5ZZ -0.00871 0.04617 0.00002 -0.03860 0.00730 112 5XY -0.09825 0.00674 -0.00005 0.06557 0.07675 113 5XZ 0.00001 0.00003 0.03132 0.00002 -0.00004 114 5YZ 0.00000 0.00001 0.01579 0.00001 -0.00001 115 7 Br 1S 0.00327 0.00233 0.00000 0.00343 -0.00687 116 2S -0.01974 -0.01404 0.00002 -0.01666 0.04231 117 3S 0.02027 0.01420 -0.00001 0.00786 -0.04505 118 4S 0.04961 0.03603 -0.00005 0.05880 -0.10465 119 5S -0.11613 -0.10123 -0.00013 0.21115 0.48833 120 6S -0.00625 0.04027 0.00069 -0.92573 -0.74116 121 7PX 0.00803 0.05839 -0.00003 0.01888 -0.05513 122 7PY 0.05799 -0.01123 -0.00003 0.05075 -0.00640 123 7PZ 0.00000 -0.00001 -0.05169 -0.00004 -0.00002 124 8PX -0.02589 -0.18903 0.00011 -0.06082 0.17843 125 8PY -0.18759 0.03642 0.00010 -0.16417 0.02065 126 8PZ -0.00001 0.00005 0.16758 0.00012 0.00007 127 9PX 0.08037 0.66858 -0.00036 0.19019 -0.62632 128 9PY 0.65528 -0.13552 -0.00036 0.57038 -0.06541 129 9PZ 0.00005 -0.00018 -0.61109 -0.00043 -0.00024 130 10PX 0.02284 -0.81486 0.00025 0.04085 0.70930 131 10PY -0.74791 0.24944 0.00033 -0.59185 0.03546 132 10PZ -0.00005 0.00023 0.80515 0.00058 0.00034 133 11XX -0.01072 -0.01161 0.00001 -0.02584 0.04631 134 11YY -0.02659 0.01039 0.00000 -0.00234 -0.00379 135 11ZZ 0.01330 -0.01571 -0.00001 0.02367 0.01228 136 11XY -0.00245 -0.01490 0.00001 -0.01449 0.01124 137 11XZ -0.00001 0.00002 0.06635 0.00005 0.00002 138 11YZ 0.00000 0.00003 0.05281 0.00004 0.00003 139 12XX -0.01091 0.01870 -0.00015 0.24365 -0.03528 140 12YY 0.08432 -0.09704 -0.00011 0.14851 0.21315 141 12ZZ -0.10775 0.04209 -0.00005 0.02404 0.12720 142 12XY 0.00170 0.06497 -0.00005 0.05752 -0.04940 143 12XZ 0.00004 -0.00012 -0.34424 -0.00025 -0.00012 144 12YZ 0.00002 -0.00014 -0.27315 -0.00021 -0.00014 145 8 Br 1S 0.00327 -0.00233 0.00000 -0.00342 -0.00687 146 2S -0.01975 0.01404 -0.00001 0.01663 0.04232 147 3S 0.02028 -0.01420 0.00001 -0.00783 -0.04506 148 4S 0.04963 -0.03604 0.00005 -0.05872 -0.10468 149 5S -0.11620 0.10107 0.00017 -0.21146 0.48831 150 6S -0.00616 -0.03980 -0.00075 0.92618 -0.74091 151 7PX -0.00801 0.05840 -0.00003 0.01884 0.05512 152 7PY -0.05801 -0.01120 -0.00003 0.05074 0.00647 153 7PZ 0.00000 -0.00002 -0.05169 -0.00004 0.00002 154 8PX 0.02581 -0.18906 0.00009 -0.06069 -0.17840 155 8PY 0.18764 0.03632 0.00010 -0.16413 -0.02086 156 8PZ 0.00001 0.00006 0.16757 0.00011 -0.00007 157 9PX -0.08008 0.66866 -0.00031 0.18975 0.62621 158 9PY -0.65548 -0.13518 -0.00036 0.57021 0.06616 159 9PZ -0.00003 -0.00021 -0.61108 -0.00042 0.00028 160 10PX -0.02326 -0.81488 0.00019 0.04132 -0.70904 161 10PY 0.74817 0.24907 0.00033 -0.59165 -0.03632 162 10PZ 0.00004 0.00027 0.80514 0.00056 -0.00039 163 11XX -0.01073 0.01162 -0.00001 0.02581 0.04629 164 11YY -0.02660 -0.01039 0.00000 0.00234 -0.00375 165 11ZZ 0.01332 0.01570 0.00001 -0.02368 0.01228 166 11XY -0.00244 0.01492 -0.00001 0.01448 0.01126 167 11XZ -0.00001 -0.00003 -0.06635 -0.00005 0.00003 168 11YZ -0.00001 -0.00003 -0.05282 -0.00004 0.00003 169 12XX -0.01091 -0.01883 0.00014 -0.24360 -0.03516 170 12YY 0.08438 0.09696 0.00012 -0.14864 0.21298 171 12ZZ -0.10785 -0.04210 0.00007 -0.02413 0.12717 172 12XY 0.00164 -0.06503 0.00005 -0.05748 -0.04949 173 12XZ 0.00005 0.00015 0.34422 0.00024 -0.00015 174 12YZ 0.00003 0.00015 0.27318 0.00019 -0.00016 136 137 138 139 140 V V V V V Eigenvalues -- 0.66285 0.67657 0.70553 0.71284 0.75548 1 1 Al 1S 0.00000 0.01218 0.00992 0.01478 0.00689 2 2S 0.00000 0.02237 -0.02219 0.08594 0.02316 3 2PX 0.00000 0.01900 0.01370 0.01130 -0.01036 4 2PY 0.00000 -0.01346 -0.00958 -0.02138 0.00213 5 2PZ -0.03875 0.00000 0.00000 0.00000 0.00000 6 3S 0.00003 0.73100 0.33961 1.09482 0.53760 7 3PX 0.00017 -0.03591 -0.19698 0.03037 0.05412 8 3PY 0.00004 0.24010 0.35652 0.01411 -0.03111 9 3PZ 0.28273 0.00001 0.00000 0.00006 0.00000 10 4S -0.00031 -2.70073 -0.58570 -3.77508 -1.51591 11 4PX 0.00009 0.83699 0.20267 1.84946 0.94986 12 4PY 0.00019 0.51836 0.30665 -0.69317 -0.10991 13 4PZ 0.72871 -0.00013 -0.00003 -0.00005 -0.00007 14 5XX -0.00011 -0.11459 -0.18878 0.13302 -0.00921 15 5YY 0.00000 -0.17673 0.28492 -0.37375 -0.14406 16 5ZZ 0.00001 -0.14843 -0.22841 -0.12213 -0.31077 17 5XY -0.00004 0.10173 0.06598 -0.05103 0.16565 18 5XZ 0.24733 0.00000 -0.00002 0.00000 -0.00002 19 5YZ 0.22949 -0.00001 0.00002 0.00000 -0.00003 20 2 Al 1S 0.00000 -0.01218 0.00990 -0.01480 0.00688 21 2S 0.00001 -0.02238 -0.02233 -0.08590 0.02316 22 2PX 0.00000 0.01899 -0.01368 0.01132 0.01038 23 2PY 0.00000 -0.01345 0.00955 -0.02139 -0.00211 24 2PZ 0.03875 0.00000 0.00000 0.00000 0.00000 25 3S 0.00003 -0.73123 0.33785 -1.09530 0.53749 26 3PX -0.00016 -0.03569 0.19705 0.03003 -0.05422 27 3PY -0.00003 0.24020 -0.35642 0.01461 0.03109 28 3PZ -0.28274 0.00001 0.00000 0.00006 -0.00001 29 4S -0.00031 2.70193 -0.57950 3.77584 -1.51541 30 4PX -0.00012 0.83731 -0.19964 1.84980 -0.94962 31 4PY -0.00012 0.51910 -0.30725 -0.69254 0.11021 32 4PZ -0.72877 -0.00009 0.00003 -0.00002 0.00004 33 5XX -0.00013 0.11481 -0.18894 -0.13280 -0.00924 34 5YY 0.00002 0.17675 0.28557 0.37339 -0.14395 35 5ZZ 0.00002 0.14854 -0.22826 0.12244 -0.31074 36 5XY -0.00003 -0.10182 0.06595 0.05085 0.16563 37 5XZ 0.24727 -0.00001 -0.00002 -0.00001 -0.00002 38 5YZ 0.22949 0.00000 0.00001 -0.00001 -0.00002 39 3 Cl 1S -0.00001 0.00001 0.00868 -0.00001 -0.02878 40 2S 0.00000 0.00001 -0.02088 0.00001 -0.04359 41 2PX 0.05444 0.06004 0.00007 0.09535 0.00000 42 2PY -0.04591 -0.03462 -0.00006 -0.07868 0.00000 43 2PZ 0.00002 0.00000 -0.07049 0.00006 -0.01981 44 3S -0.00032 0.00038 0.16015 -0.00026 -0.80862 45 3PX -0.24877 -0.26954 -0.00033 -0.42872 0.00001 46 3PY 0.18143 0.17265 0.00026 0.33192 0.00001 47 3PZ -0.00009 0.00002 0.28890 -0.00026 0.04739 48 4S 0.00064 -0.00090 0.01033 0.00031 2.38722 49 4PX 0.60293 0.65519 0.00082 1.08544 -0.00002 50 4PY -0.27226 -0.60102 -0.00058 -0.62381 -0.00010 51 4PZ 0.00023 -0.00020 -0.34536 0.00035 0.45097 52 5XX 0.00002 0.00003 0.06962 -0.00008 -0.26022 53 5YY 0.00001 -0.00004 -0.12619 0.00013 0.23631 54 5ZZ -0.00011 0.00012 0.06206 -0.00008 -0.20741 55 5XY 0.00009 -0.00016 0.25677 -0.00019 0.08056 56 5XZ -0.09303 -0.08125 -0.00010 -0.16859 0.00002 57 5YZ -0.19211 0.23167 0.00000 -0.11878 0.00009 58 4 Cl 1S -0.00001 0.00001 0.00868 0.00000 -0.02878 59 2S 0.00000 0.00001 -0.02088 0.00001 -0.04359 60 2PX -0.05444 0.06004 0.00009 0.09535 0.00001 61 2PY 0.04590 -0.03462 -0.00007 -0.07868 0.00000 62 2PZ -0.00002 0.00001 0.07049 -0.00004 0.01981 63 3S -0.00036 0.00034 0.16014 -0.00004 -0.80864 64 3PX 0.24874 -0.26955 -0.00038 -0.42872 -0.00005 65 3PY -0.18139 0.17266 0.00031 0.33192 0.00002 66 3PZ 0.00008 -0.00004 -0.28890 0.00016 -0.04739 67 4S 0.00075 -0.00081 0.01035 -0.00015 2.38726 68 4PX -0.60291 0.65522 0.00090 1.08545 0.00007 69 4PY 0.27219 -0.60103 -0.00061 -0.62380 -0.00011 70 4PZ -0.00023 0.00023 0.34535 -0.00020 -0.45098 71 5XX 0.00002 -0.00004 0.06962 -0.00005 -0.26022 72 5YY 0.00001 -0.00001 -0.12618 0.00013 0.23632 73 5ZZ -0.00012 0.00014 0.06204 -0.00007 -0.20743 74 5XY 0.00005 -0.00013 0.25676 -0.00016 0.08056 75 5XZ -0.09303 0.08125 0.00011 0.16860 0.00000 76 5YZ -0.19212 -0.23167 0.00007 0.11878 -0.00008 77 5 Cl 1S -0.00001 -0.03565 -0.02989 0.00333 -0.01239 78 2S 0.00000 -0.01515 0.01710 -0.02756 -0.00984 79 2PX 0.00001 -0.04168 -0.05038 -0.00554 -0.05035 80 2PY 0.00000 -0.00555 0.10963 -0.07517 -0.01146 81 2PZ -0.04591 0.00001 -0.00001 0.00001 0.00000 82 3S -0.00017 -0.89480 -0.67429 0.00839 -0.32588 83 3PX -0.00005 0.17481 0.20221 0.04581 0.22359 84 3PY -0.00001 -0.00764 -0.45772 0.29759 0.03137 85 3PZ 0.19163 -0.00002 0.00002 -0.00003 -0.00002 86 4S 0.00040 2.15525 1.21172 0.40913 0.76851 87 4PX 0.00001 -0.35413 -0.25994 -0.33405 -0.48516 88 4PY 0.00008 0.46476 0.67862 -0.12544 0.14678 89 4PZ -0.34453 0.00003 -0.00002 0.00003 0.00003 90 5XX -0.00003 0.01272 -0.02881 0.06651 -0.01711 91 5YY -0.00002 -0.22914 -0.06899 -0.05228 -0.09113 92 5ZZ 0.00001 -0.01154 -0.04842 -0.03482 0.02626 93 5XY 0.00006 -0.00795 -0.10493 0.28183 0.20693 94 5XZ 0.09481 0.00000 0.00000 -0.00001 -0.00001 95 5YZ 0.03054 0.00001 -0.00004 0.00002 0.00001 96 6 Cl 1S -0.00001 0.03568 -0.02988 -0.00328 -0.01238 97 2S 0.00000 0.01516 0.01715 0.02754 -0.00983 98 2PX -0.00001 -0.04169 0.05037 -0.00561 0.05033 99 2PY -0.00001 -0.00553 -0.10974 -0.07503 0.01146 100 2PZ 0.04591 0.00000 0.00000 0.00001 0.00000 101 3S -0.00015 0.89552 -0.67394 -0.00744 -0.32555 102 3PX 0.00004 0.17486 -0.20211 0.04611 -0.22350 103 3PY 0.00004 -0.00772 0.45818 0.29699 -0.03138 104 3PZ -0.19164 -0.00001 -0.00002 -0.00002 0.00001 105 4S 0.00032 -2.15686 1.21023 -0.41086 0.76771 106 4PX 0.00000 -0.35436 0.25936 -0.33448 0.48500 107 4PY -0.00009 0.46511 -0.67865 -0.12455 -0.14660 108 4PZ 0.34455 0.00001 0.00001 0.00001 -0.00001 109 5XX -0.00003 -0.01268 -0.02887 -0.06640 -0.01715 110 5YY -0.00001 0.22928 -0.06884 0.05233 -0.09099 111 5ZZ 0.00000 0.01155 -0.04840 0.03486 0.02624 112 5XY 0.00006 0.00786 -0.10533 -0.28168 0.20694 113 5XZ 0.09480 0.00000 0.00000 0.00001 -0.00001 114 5YZ 0.03057 -0.00001 -0.00003 -0.00002 0.00001 115 7 Br 1S 0.00000 -0.00131 0.00044 0.00040 0.00390 116 2S 0.00002 0.00656 -0.00384 -0.00515 -0.02663 117 3S -0.00002 -0.00360 0.00643 0.01139 0.03402 118 4S -0.00005 -0.02242 0.00579 0.00230 0.05667 119 5S 0.00024 0.00254 0.02031 -0.29574 -0.38334 120 6S -0.00039 0.10254 -0.09821 0.78703 0.64461 121 7PX -0.00002 -0.02005 0.00508 0.01917 0.03586 122 7PY -0.00001 0.02807 0.00157 -0.02141 -0.00993 123 7PZ 0.04270 -0.00001 0.00000 0.00000 0.00000 124 8PX 0.00007 0.06489 -0.01624 -0.06258 -0.11673 125 8PY 0.00002 -0.09103 -0.00532 0.06970 0.03233 126 8PZ -0.13869 0.00002 0.00000 0.00001 0.00001 127 9PX -0.00026 -0.22924 0.03937 0.25572 0.43966 128 9PY -0.00007 0.33042 0.02902 -0.26741 -0.12814 129 9PZ 0.51946 -0.00007 -0.00001 -0.00002 -0.00003 130 10PX 0.00030 0.23579 0.06010 -0.55914 -0.62147 131 10PY 0.00008 -0.42673 -0.05894 0.39359 0.24075 132 10PZ -0.74961 0.00010 0.00002 0.00002 0.00006 133 11XX 0.00003 0.04515 0.04590 -0.04190 -0.04529 134 11YY 0.00000 -0.02448 -0.03774 0.04487 0.00867 135 11ZZ 0.00000 -0.01789 -0.01752 -0.01993 -0.00776 136 11XY 0.00001 -0.00795 0.00384 0.01905 0.01671 137 11XZ -0.06491 0.00001 0.00000 0.00000 0.00001 138 11YZ -0.07254 0.00000 0.00000 0.00000 0.00001 139 12XX -0.00003 -0.25349 -0.26833 0.09005 0.04606 140 12YY 0.00010 0.10422 0.18964 -0.39705 -0.25022 141 12ZZ 0.00009 0.06961 0.08031 -0.04723 -0.14345 142 12XY -0.00004 0.03589 -0.02954 -0.09719 -0.10093 143 12XZ 0.34426 -0.00003 -0.00001 0.00000 -0.00003 144 12YZ 0.37569 -0.00002 -0.00001 -0.00001 -0.00003 145 8 Br 1S 0.00000 0.00131 0.00044 -0.00040 0.00391 146 2S 0.00002 -0.00658 -0.00385 0.00515 -0.02664 147 3S -0.00002 0.00363 0.00643 -0.01140 0.03403 148 4S -0.00005 0.02248 0.00581 -0.00232 0.05669 149 5S 0.00022 -0.00285 0.02048 0.29570 -0.38356 150 6S -0.00034 -0.10201 -0.09882 -0.78683 0.64506 151 7PX 0.00002 -0.02008 -0.00507 0.01918 -0.03587 152 7PY 0.00001 0.02807 -0.00159 -0.02140 0.00994 153 7PZ -0.04270 0.00000 0.00000 0.00000 0.00000 154 8PX -0.00007 0.06498 0.01619 -0.06262 0.11676 155 8PY -0.00003 -0.09103 0.00538 0.06966 -0.03236 156 8PZ 0.13870 0.00001 0.00000 0.00000 0.00000 157 9PX 0.00023 -0.22956 -0.03915 0.25581 -0.43977 158 9PY 0.00010 0.33045 -0.02927 -0.26725 0.12824 159 9PZ -0.51950 -0.00004 0.00002 -0.00001 0.00002 160 10PX -0.00026 0.23620 -0.06072 -0.55908 0.62163 161 10PY -0.00011 -0.42679 0.05932 0.39333 -0.24090 162 10PZ 0.74965 0.00006 -0.00003 0.00000 -0.00003 163 11XX 0.00003 -0.04519 0.04594 0.04184 -0.04531 164 11YY 0.00000 0.02450 -0.03780 -0.04483 0.00868 165 11ZZ 0.00000 0.01789 -0.01749 0.01995 -0.00777 166 11XY 0.00001 0.00794 0.00384 -0.01903 0.01672 167 11XZ -0.06490 0.00000 0.00000 0.00000 0.00000 168 11YZ -0.07254 0.00000 0.00000 0.00000 0.00000 169 12XX -0.00004 0.25359 -0.26846 -0.08971 0.04605 170 12YY 0.00009 -0.10440 0.19007 0.39680 -0.25035 171 12ZZ 0.00009 -0.06970 0.08029 0.04710 -0.14350 172 12XY -0.00004 -0.03581 -0.02952 0.09713 -0.10099 173 12XZ 0.34420 0.00002 -0.00002 -0.00001 -0.00002 174 12YZ 0.37572 0.00001 -0.00001 0.00000 -0.00003 141 142 143 144 145 V V V V V Eigenvalues -- 0.80408 0.82440 0.85010 0.85298 0.85750 1 1 Al 1S 0.00000 0.00000 0.00000 -0.00158 -0.00244 2 2S 0.00000 0.00000 0.00000 -0.00314 0.00157 3 2PX 0.00000 0.00001 -0.00001 0.00648 -0.01397 4 2PY 0.00000 0.00001 0.00000 0.01427 0.01076 5 2PZ -0.00471 -0.02295 0.02845 0.00000 0.00000 6 3S -0.00008 -0.00006 0.00007 -0.06101 -0.12789 7 3PX -0.00002 -0.00006 0.00007 -0.07526 0.10123 8 3PY 0.00000 -0.00006 0.00001 -0.12013 -0.04791 9 3PZ -0.04284 0.12553 -0.06369 -0.00001 -0.00001 10 4S 0.00021 -0.00004 0.00001 0.02501 0.43582 11 4PX -0.00012 0.00004 0.00001 0.02021 -0.17679 12 4PY 0.00001 0.00016 -0.00008 0.08421 -0.02730 13 4PZ 0.18238 0.17912 -0.35364 0.00000 0.00004 14 5XX 0.00004 -0.00002 0.00002 -0.05943 0.07360 15 5YY 0.00003 -0.00002 -0.00003 -0.07016 -0.02172 16 5ZZ -0.00005 0.00002 0.00002 0.08228 0.05870 17 5XY -0.00003 -0.00002 0.00003 -0.03589 0.02842 18 5XZ -0.08756 0.13099 -0.06907 0.00000 0.00000 19 5YZ -0.00951 0.14126 -0.14325 0.00000 0.00001 20 2 Al 1S 0.00000 0.00000 0.00000 -0.00158 0.00244 21 2S 0.00000 0.00000 0.00000 -0.00314 -0.00157 22 2PX 0.00000 -0.00001 -0.00001 -0.00647 -0.01398 23 2PY 0.00000 0.00000 0.00000 -0.01427 0.01077 24 2PZ -0.00471 0.02295 0.02845 0.00000 0.00000 25 3S 0.00009 -0.00005 -0.00006 -0.06112 0.12791 26 3PX -0.00001 0.00005 0.00005 0.07526 0.10124 27 3PY -0.00001 0.00004 0.00000 0.12018 -0.04793 28 3PZ -0.04284 -0.12553 -0.06369 0.00000 -0.00001 29 4S -0.00023 -0.00001 0.00001 0.02519 -0.43585 30 4PX -0.00013 -0.00003 0.00003 -0.02010 -0.17678 31 4PY 0.00001 -0.00016 -0.00007 -0.08426 -0.02734 32 4PZ 0.18234 -0.17906 -0.35366 -0.00001 0.00004 33 5XX -0.00004 -0.00002 -0.00002 -0.05941 -0.07362 34 5YY -0.00002 -0.00001 0.00003 -0.07017 0.02174 35 5ZZ 0.00004 0.00002 -0.00002 0.08228 -0.05871 36 5XY 0.00003 -0.00002 -0.00003 -0.03591 -0.02844 37 5XZ 0.08757 0.13096 0.06907 0.00000 0.00000 38 5YZ 0.00953 0.14126 0.14328 0.00001 -0.00001 39 3 Cl 1S 0.00092 0.00000 0.00203 0.00086 0.00000 40 2S -0.00857 0.00000 0.00938 0.00065 0.00000 41 2PX 0.00000 0.02090 0.00000 0.00000 0.00459 42 2PY 0.00000 0.02148 0.00001 0.00000 0.01228 43 2PZ -0.04909 0.00000 0.04986 0.00637 -0.00001 44 3S 0.00177 -0.00002 0.07562 0.02264 0.00002 45 3PX 0.00000 -0.09403 0.00000 -0.00001 -0.01560 46 3PY 0.00000 -0.08822 -0.00004 0.00000 -0.05618 47 3PZ 0.19882 0.00000 -0.20779 -0.02698 0.00004 48 4S 0.12737 0.00004 -0.34374 -0.05436 0.00000 49 4PX -0.00001 0.20538 0.00001 0.00002 -0.01957 50 4PY 0.00001 0.09988 0.00008 0.00000 0.12607 51 4PZ -0.23916 -0.00002 0.27041 0.02739 -0.00005 52 5XX 0.09102 0.00002 -0.52302 -0.13894 0.00003 53 5YY 0.33394 0.00000 0.16946 -0.00020 0.00000 54 5ZZ -0.43754 -0.00002 0.37630 0.14384 -0.00003 55 5XY -0.43934 -0.00012 -0.13354 0.11007 -0.00001 56 5XZ -0.00004 0.21873 0.00004 0.00000 0.13367 57 5YZ 0.00000 0.55564 0.00012 0.00000 0.15003 58 4 Cl 1S -0.00092 0.00000 -0.00203 0.00086 0.00000 59 2S 0.00857 0.00000 -0.00938 0.00065 0.00000 60 2PX 0.00000 -0.02090 0.00000 0.00000 0.00459 61 2PY 0.00000 -0.02148 0.00001 0.00000 0.01228 62 2PZ -0.04909 0.00000 0.04986 -0.00637 -0.00001 63 3S -0.00177 0.00000 -0.07562 0.02264 -0.00001 64 3PX 0.00000 0.09402 0.00000 0.00000 -0.01560 65 3PY -0.00001 0.08822 -0.00003 0.00000 -0.05618 66 3PZ 0.19880 0.00001 -0.20778 0.02696 0.00003 67 4S -0.12736 -0.00002 0.34373 -0.05435 0.00000 68 4PX -0.00002 -0.20537 -0.00001 0.00001 -0.01957 69 4PY 0.00004 -0.09988 0.00005 0.00000 0.12607 70 4PZ -0.23915 -0.00001 0.27041 -0.02737 -0.00004 71 5XX -0.09103 -0.00007 0.52304 -0.13893 -0.00004 72 5YY -0.33394 0.00007 -0.16947 -0.00021 0.00000 73 5ZZ 0.43755 0.00000 -0.37631 0.14382 0.00004 74 5XY 0.43935 -0.00002 0.13353 0.11007 -0.00005 75 5XZ -0.00004 0.21873 -0.00005 0.00002 -0.13367 76 5YZ -0.00005 0.55565 -0.00005 0.00001 -0.15003 77 5 Cl 1S 0.00000 0.00000 0.00000 0.00051 0.00396 78 2S 0.00000 0.00000 0.00000 -0.00182 0.00133 79 2PX 0.00000 0.00000 0.00000 -0.00129 0.00019 80 2PY 0.00001 0.00000 0.00000 -0.00719 -0.00495 81 2PZ 0.00316 -0.02772 0.03434 0.00000 0.00000 82 3S 0.00001 -0.00006 0.00004 0.00762 0.10089 83 3PX -0.00001 -0.00001 0.00001 0.00532 -0.00300 84 3PY -0.00002 0.00002 0.00001 0.03034 0.02416 85 3PZ -0.00540 0.11185 -0.14380 0.00000 0.00001 86 4S -0.00005 0.00015 -0.00010 0.01016 -0.24221 87 4PX 0.00003 0.00000 -0.00001 -0.00606 0.02655 88 4PY 0.00001 0.00000 -0.00002 -0.03995 -0.07403 89 4PZ -0.04120 -0.15679 0.23422 0.00000 -0.00002 90 5XX 0.00001 0.00001 0.00010 -0.56548 0.58710 91 5YY 0.00003 -0.00003 0.00000 -0.01916 0.00621 92 5ZZ -0.00003 0.00001 -0.00008 0.58521 -0.57162 93 5XY 0.00000 0.00002 -0.00005 -0.09220 -0.04160 94 5XZ -0.11857 0.18521 -0.32310 0.00001 0.00018 95 5YZ 0.24664 -0.24657 0.10200 0.00002 -0.00002 96 6 Cl 1S 0.00000 0.00000 0.00000 0.00051 -0.00396 97 2S 0.00000 0.00000 0.00000 -0.00182 -0.00133 98 2PX 0.00000 0.00000 0.00000 0.00129 0.00019 99 2PY 0.00000 0.00000 0.00000 0.00719 -0.00495 100 2PZ 0.00316 0.02772 0.03434 0.00000 0.00000 101 3S -0.00003 -0.00006 -0.00003 0.00762 -0.10093 102 3PX -0.00002 0.00001 0.00001 -0.00532 -0.00301 103 3PY -0.00001 -0.00001 0.00001 -0.03034 0.02418 104 3PZ -0.00541 -0.11183 -0.14381 0.00000 0.00001 105 4S 0.00009 0.00015 0.00008 0.01015 0.24229 106 4PX 0.00005 0.00000 -0.00002 0.00605 0.02657 107 4PY -0.00001 -0.00001 -0.00002 0.03995 -0.07407 108 4PZ -0.04118 0.15676 0.23424 0.00001 -0.00002 109 5XX -0.00001 0.00001 -0.00008 -0.56551 -0.58708 110 5YY -0.00003 -0.00003 0.00001 -0.01918 -0.00621 111 5ZZ 0.00003 0.00001 0.00007 0.58525 0.57159 112 5XY 0.00000 0.00002 0.00005 -0.09230 0.04152 113 5XZ 0.11861 0.18523 0.32316 0.00001 -0.00018 114 5YZ -0.24661 -0.24657 -0.10196 0.00002 0.00002 115 7 Br 1S 0.00000 0.00000 0.00000 0.00004 -0.00132 116 2S 0.00000 0.00000 0.00000 0.00055 0.00703 117 3S 0.00000 0.00000 0.00000 -0.00228 -0.00505 118 4S 0.00000 0.00000 0.00000 0.00133 -0.02199 119 5S -0.00002 0.00001 0.00005 -0.06517 0.11736 120 6S 0.00004 -0.00002 -0.00009 0.12877 -0.18254 121 7PX 0.00000 0.00000 0.00000 -0.00069 -0.00221 122 7PY 0.00000 0.00000 0.00000 0.00134 -0.00311 123 7PZ 0.00746 0.00406 -0.01244 0.00000 0.00000 124 8PX 0.00000 0.00000 0.00000 0.00209 0.00722 125 8PY 0.00000 -0.00001 0.00001 -0.00446 0.01019 126 8PZ -0.02421 -0.01345 0.04077 0.00000 0.00000 127 9PX 0.00000 0.00000 0.00000 0.00534 -0.03095 128 9PY 0.00001 0.00003 -0.00003 0.02548 -0.04535 129 9PZ 0.08775 0.06410 -0.16824 0.00000 0.00002 130 10PX 0.00001 -0.00002 0.00003 -0.08280 0.07655 131 10PY -0.00002 -0.00007 0.00008 -0.09131 0.09788 132 10PZ -0.11705 -0.14409 0.29370 0.00000 -0.00003 133 11XX 0.00000 0.00000 0.00000 -0.00883 -0.00510 134 11YY 0.00000 0.00000 0.00000 0.00035 0.00839 135 11ZZ 0.00000 0.00001 0.00000 0.01237 0.00140 136 11XY 0.00000 -0.00001 0.00001 -0.01323 0.00950 137 11XZ -0.00161 -0.01922 0.02943 0.00000 0.00000 138 11YZ 0.00270 -0.02227 0.02030 0.00000 0.00000 139 12XX -0.00001 0.00002 0.00002 0.04732 0.04650 140 12YY 0.00000 0.00002 -0.00001 -0.00843 -0.02388 141 12ZZ -0.00001 -0.00003 0.00003 -0.08244 0.02073 142 12XY 0.00001 0.00005 -0.00006 0.08709 -0.05812 143 12XZ 0.00730 0.10755 -0.15917 0.00000 0.00001 144 12YZ -0.01417 0.11994 -0.11035 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00004 0.00132 146 2S 0.00000 0.00000 0.00000 0.00055 -0.00703 147 3S 0.00000 0.00000 0.00000 -0.00228 0.00505 148 4S 0.00000 0.00000 0.00000 0.00133 0.02200 149 5S 0.00001 0.00002 -0.00003 -0.06519 -0.11736 150 6S -0.00002 -0.00006 0.00006 0.12882 0.18252 151 7PX 0.00000 0.00000 0.00000 0.00069 -0.00221 152 7PY 0.00000 0.00000 0.00000 -0.00135 -0.00311 153 7PZ 0.00746 -0.00406 -0.01245 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 -0.00209 0.00721 155 8PY 0.00000 0.00001 0.00001 0.00446 0.01020 156 8PZ -0.02420 0.01344 0.04078 0.00000 0.00000 157 9PX -0.00001 0.00000 0.00000 -0.00534 -0.03094 158 9PY 0.00001 -0.00003 -0.00003 -0.02550 -0.04536 159 9PZ 0.08773 -0.06406 -0.16825 0.00000 0.00002 160 10PX 0.00002 0.00001 0.00001 0.08280 0.07652 161 10PY -0.00001 0.00006 0.00007 0.09136 0.09791 162 10PZ -0.11702 0.14403 0.29372 0.00001 -0.00003 163 11XX 0.00000 0.00000 0.00000 -0.00883 0.00510 164 11YY 0.00000 0.00000 0.00000 0.00035 -0.00839 165 11ZZ 0.00000 0.00001 0.00000 0.01237 -0.00140 166 11XY 0.00000 -0.00001 -0.00001 -0.01324 -0.00950 167 11XZ 0.00160 -0.01922 -0.02943 0.00000 0.00000 168 11YZ -0.00270 -0.02227 -0.02030 0.00000 0.00000 169 12XX 0.00000 0.00001 -0.00002 0.04731 -0.04654 170 12YY 0.00001 0.00002 0.00001 -0.00842 0.02392 171 12ZZ 0.00001 -0.00002 -0.00001 -0.08247 -0.02071 172 12XY -0.00001 0.00004 0.00004 0.08713 0.05812 173 12XZ -0.00729 0.10751 0.15917 0.00001 -0.00001 174 12YZ 0.01417 0.11993 0.11038 0.00001 0.00000 146 147 148 149 150 V V V V V Eigenvalues -- 0.86491 0.86715 0.89139 0.91489 0.91722 1 1 Al 1S 0.00000 0.00000 -0.01204 -0.00292 0.01287 2 2S 0.00000 0.00000 0.01503 0.02208 0.00110 3 2PX 0.00000 -0.00001 0.04034 -0.01907 -0.02112 4 2PY 0.00000 0.00000 0.01366 0.00884 0.01163 5 2PZ 0.02123 0.01318 0.00001 -0.00001 -0.00001 6 3S 0.00011 0.00005 -0.42700 -0.04789 0.56258 7 3PX 0.00001 0.00006 -0.37834 0.12016 0.21829 8 3PY 0.00003 0.00002 -0.10121 -0.06833 -0.06011 9 3PZ -0.10675 -0.10191 -0.00006 0.00005 0.00006 10 4S -0.00016 0.00003 -0.52206 -0.28701 -0.30999 11 4PX 0.00009 -0.00001 -0.01176 -0.08769 0.39871 12 4PY -0.00006 -0.00012 0.63586 -0.69918 -0.62035 13 4PZ -0.14313 -0.20402 -0.00011 0.00005 0.00007 14 5XX 0.00000 0.00004 -0.16224 0.33056 0.30006 15 5YY -0.00001 -0.00001 0.17758 -0.00572 -0.23726 16 5ZZ -0.00002 -0.00001 -0.04927 -0.26437 -0.12845 17 5XY 0.00002 0.00002 -0.15893 0.06142 0.12587 18 5XZ -0.11413 -0.08492 -0.00003 0.00002 0.00001 19 5YZ -0.07736 -0.06367 -0.00003 -0.00003 0.00001 20 2 Al 1S 0.00000 0.00000 -0.01203 -0.00295 -0.01287 21 2S 0.00000 0.00000 0.01502 0.02208 -0.00113 22 2PX 0.00000 0.00001 -0.04034 0.01904 -0.02115 23 2PY 0.00000 0.00000 -0.01367 -0.00881 0.01164 24 2PZ 0.02122 -0.01319 -0.00001 0.00001 -0.00001 25 3S -0.00010 0.00005 -0.42700 -0.04893 -0.56257 26 3PX 0.00001 -0.00006 0.37831 -0.11979 0.21851 27 3PY 0.00002 -0.00002 0.10125 0.06819 -0.06017 28 3PZ -0.10670 0.10197 0.00005 -0.00004 0.00006 29 4S 0.00016 0.00002 -0.52188 -0.28647 0.31048 30 4PX 0.00009 0.00001 0.01189 0.08836 0.39861 31 4PY -0.00005 0.00012 -0.63584 0.69810 -0.62162 32 4PZ -0.14303 0.20411 0.00010 -0.00004 0.00007 33 5XX 0.00000 0.00004 -0.16220 0.33001 -0.30067 34 5YY 0.00001 -0.00001 0.17753 -0.00526 0.23725 35 5ZZ 0.00002 -0.00001 -0.04928 -0.26414 0.12897 36 5XY -0.00001 0.00002 -0.15896 0.06121 -0.12609 37 5XZ 0.11409 -0.08497 -0.00003 0.00002 -0.00001 38 5YZ 0.07735 -0.06372 -0.00003 -0.00003 -0.00002 39 3 Cl 1S 0.00582 0.00000 -0.00221 -0.00822 0.00000 40 2S -0.00228 0.00000 -0.00484 -0.01092 0.00001 41 2PX -0.00001 -0.02719 -0.00001 0.00002 0.01666 42 2PY 0.00001 0.01695 0.00000 0.00003 0.03757 43 2PZ -0.00118 0.00000 -0.01198 -0.00358 0.00000 44 3S 0.13990 -0.00004 -0.06714 -0.23307 0.00012 45 3PX 0.00003 0.12008 0.00004 -0.00009 -0.07838 46 3PY -0.00003 -0.06944 0.00001 -0.00016 -0.17434 47 3PZ 0.00374 0.00000 0.04850 0.01071 -0.00001 48 4S -0.28488 0.00010 0.16019 0.62187 -0.00036 49 4PX -0.00004 -0.24113 -0.00010 0.00024 0.19449 50 4PY 0.00005 0.10698 -0.00003 0.00032 0.37393 51 4PZ -0.00659 0.00002 -0.05750 0.11357 -0.00008 52 5XX -0.24143 0.00009 0.10184 0.58976 -0.00044 53 5YY 0.14058 -0.00007 0.04590 -0.30952 0.00020 54 5ZZ 0.11967 -0.00003 -0.16527 -0.33203 0.00028 55 5XY -0.08609 0.00010 -0.49791 0.04051 -0.00007 56 5XZ -0.00005 -0.06300 -0.00007 0.00006 0.07362 57 5YZ 0.00000 -0.10193 -0.00007 0.00045 0.48966 58 4 Cl 1S -0.00582 0.00000 -0.00221 -0.00822 0.00001 59 2S 0.00228 0.00000 -0.00484 -0.01091 0.00001 60 2PX 0.00000 0.02719 0.00001 0.00001 0.01666 61 2PY 0.00000 -0.01695 0.00000 0.00003 0.03757 62 2PZ -0.00118 0.00000 0.01198 0.00358 -0.00001 63 3S -0.13990 0.00004 -0.06715 -0.23308 0.00026 64 3PX -0.00002 -0.12008 -0.00004 -0.00005 -0.07838 65 3PY 0.00001 0.06944 0.00001 -0.00015 -0.17434 66 3PZ 0.00374 0.00000 -0.04850 -0.01070 0.00002 67 4S 0.28488 -0.00008 0.16022 0.62186 -0.00070 68 4PX 0.00007 0.24112 0.00009 0.00013 0.19448 69 4PY -0.00003 -0.10697 -0.00003 0.00032 0.37393 70 4PZ -0.00659 -0.00002 0.05749 -0.11359 0.00008 71 5XX 0.24144 -0.00005 0.10185 0.58975 -0.00060 72 5YY -0.14058 0.00002 0.04589 -0.30953 0.00027 73 5ZZ -0.11967 0.00004 -0.16527 -0.33201 0.00038 74 5XY 0.08609 0.00002 -0.49792 0.04052 -0.00007 75 5XZ 0.00000 -0.06300 -0.00002 -0.00010 -0.07361 76 5YZ -0.00003 -0.10194 -0.00003 -0.00043 -0.48966 77 5 Cl 1S 0.00000 0.00000 -0.02164 0.00795 0.01604 78 2S 0.00000 0.00000 0.00030 0.00300 -0.00074 79 2PX 0.00000 0.00000 0.00817 -0.00325 -0.01075 80 2PY 0.00000 0.00000 0.04069 -0.00031 -0.02958 81 2PZ 0.01555 0.00791 0.00000 0.00000 0.00000 82 3S 0.00000 0.00006 -0.53510 0.20577 0.39603 83 3PX 0.00001 0.00001 -0.03250 0.01290 0.04675 84 3PY 0.00000 0.00001 -0.18584 0.00504 0.13639 85 3PZ -0.06497 -0.03401 -0.00002 0.00002 0.00002 86 4S -0.00001 -0.00014 1.14467 -0.52895 -0.84154 87 4PX -0.00002 -0.00001 0.04886 -0.00844 -0.10065 88 4PY 0.00001 -0.00003 0.38586 -0.05823 -0.28770 89 4PZ 0.10775 0.07434 0.00003 -0.00004 -0.00004 90 5XX -0.00012 0.00001 -0.16641 -0.12320 -0.09044 91 5YY 0.00000 0.00001 0.01727 0.04977 -0.06931 92 5ZZ 0.00011 -0.00001 0.04989 0.11177 0.23248 93 5XY 0.00001 0.00000 0.16284 -0.05688 -0.19368 94 5XZ 0.60491 0.67044 0.00005 -0.00001 0.00000 95 5YZ 0.19424 0.11545 0.00008 -0.00012 -0.00007 96 6 Cl 1S 0.00000 0.00000 -0.02164 0.00792 -0.01606 97 2S 0.00000 0.00000 0.00030 0.00300 0.00073 98 2PX 0.00000 0.00000 -0.00816 0.00323 -0.01076 99 2PY 0.00000 0.00000 -0.04069 0.00025 -0.02959 100 2PZ 0.01555 -0.00792 0.00000 0.00000 0.00000 101 3S 0.00000 0.00006 -0.53508 0.20508 -0.39642 102 3PX 0.00001 -0.00001 0.03246 -0.01279 0.04676 103 3PY 0.00000 -0.00001 0.18583 -0.00478 0.13642 104 3PZ -0.06495 0.03405 0.00002 -0.00001 0.00002 105 4S -0.00001 -0.00014 1.14460 -0.52748 0.84253 106 4PX -0.00002 0.00001 -0.04880 0.00822 -0.10064 107 4PY 0.00001 0.00003 -0.38584 0.05771 -0.28783 108 4PZ 0.10772 -0.07441 -0.00003 0.00003 -0.00003 109 5XX 0.00012 0.00001 -0.16641 -0.12305 0.09060 110 5YY 0.00000 0.00001 0.01730 0.04989 0.06927 111 5ZZ -0.00012 -0.00001 0.04986 0.11138 -0.23266 112 5XY -0.00001 0.00000 0.16282 -0.05660 0.19373 113 5XZ -0.60452 0.67074 0.00005 -0.00002 0.00000 114 5YZ -0.19424 0.11565 0.00007 -0.00010 0.00006 115 7 Br 1S 0.00000 0.00000 0.00075 0.00543 0.00031 116 2S 0.00000 0.00000 -0.00585 -0.03674 -0.00152 117 3S 0.00000 0.00000 0.00910 0.04571 0.00076 118 4S 0.00000 0.00000 0.00936 0.08312 0.00554 119 5S 0.00001 0.00001 -0.40028 -0.55153 0.19049 120 6S -0.00002 -0.00001 0.86087 1.09089 -0.41715 121 7PX 0.00000 0.00000 -0.00121 0.01544 0.00766 122 7PY 0.00000 0.00000 0.01182 0.00168 -0.01108 123 7PZ -0.00516 -0.00473 0.00000 0.00000 0.00000 124 8PX 0.00000 0.00000 0.00358 -0.05059 -0.02487 125 8PY 0.00000 0.00001 -0.03918 -0.00524 0.03677 126 8PZ 0.01699 0.01557 0.00001 -0.00001 -0.00001 127 9PX 0.00001 0.00001 0.01861 0.19807 0.07928 128 9PY -0.00002 -0.00003 0.19701 -0.00125 -0.18654 129 9PZ -0.07557 -0.06800 -0.00003 0.00002 0.00003 130 10PX -0.00001 0.00001 -0.22200 -0.31241 -0.02192 131 10PY 0.00004 0.00007 -0.54345 0.09584 0.50001 132 10PZ 0.14860 0.13711 0.00006 -0.00004 -0.00005 133 11XX 0.00000 0.00000 0.00190 -0.04152 -0.02221 134 11YY 0.00000 0.00000 -0.03445 0.01257 0.04008 135 11ZZ 0.00000 0.00000 0.02021 -0.03106 -0.01834 136 11XY 0.00000 0.00001 -0.05790 0.01398 0.04553 137 11XZ 0.01849 0.01189 0.00000 0.00000 0.00000 138 11YZ 0.01735 0.01484 0.00000 0.00000 0.00000 139 12XX 0.00000 0.00001 -0.15526 -0.03470 0.18187 140 12YY 0.00000 -0.00003 0.03626 -0.32979 -0.16112 141 12ZZ 0.00002 0.00002 -0.29656 -0.07330 0.19175 142 12XY -0.00003 -0.00005 0.35458 -0.10265 -0.28428 143 12XZ -0.10189 -0.06788 -0.00002 0.00000 0.00002 144 12YZ -0.09385 -0.08092 -0.00002 0.00001 0.00001 145 8 Br 1S 0.00000 0.00000 0.00075 0.00543 -0.00032 146 2S 0.00000 0.00000 -0.00585 -0.03674 0.00159 147 3S 0.00000 0.00000 0.00910 0.04571 -0.00084 148 4S 0.00000 0.00000 0.00936 0.08311 -0.00570 149 5S -0.00001 0.00001 -0.40025 -0.55189 -0.18952 150 6S 0.00002 -0.00001 0.86079 1.09169 0.41526 151 7PX 0.00000 0.00000 0.00121 -0.01542 0.00769 152 7PY 0.00000 0.00000 -0.01182 -0.00170 -0.01108 153 7PZ -0.00515 0.00474 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 -0.00359 0.05054 -0.02497 155 8PY 0.00000 0.00000 0.03918 0.00531 0.03676 156 8PZ 0.01699 -0.01558 -0.00001 0.00000 -0.00001 157 9PX 0.00001 -0.00001 -0.01860 -0.19791 0.07966 158 9PY -0.00001 0.00003 -0.19699 0.00088 -0.18654 159 9PZ -0.07554 0.06805 0.00003 -0.00002 0.00003 160 10PX -0.00001 -0.00001 0.22192 0.31237 -0.02251 161 10PY 0.00003 -0.00007 0.54343 -0.09488 0.50022 162 10PZ 0.14853 -0.13720 -0.00005 0.00003 -0.00005 163 11XX 0.00000 0.00000 0.00191 -0.04149 0.02229 164 11YY 0.00000 0.00000 -0.03446 0.01250 -0.04011 165 11ZZ 0.00000 0.00000 0.02021 -0.03102 0.01840 166 11XY 0.00000 0.00001 -0.05789 0.01389 -0.04555 167 11XZ -0.01848 0.01190 0.00000 0.00000 0.00000 168 11YZ -0.01734 0.01485 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00001 -0.15532 -0.03502 -0.18186 170 12YY 0.00000 -0.00002 0.03634 -0.32952 0.16176 171 12ZZ -0.00001 0.00002 -0.29654 -0.07365 -0.19166 172 12XY 0.00002 -0.00005 0.35453 -0.10208 0.28446 173 12XZ 0.10185 -0.06793 -0.00002 0.00000 -0.00002 174 12YZ 0.09383 -0.08098 -0.00002 0.00000 -0.00001 151 152 153 154 155 V V V V V Eigenvalues -- 0.95300 0.96076 0.96510 0.97379 1.00319 1 1 Al 1S -0.01919 0.00000 0.00000 -0.02130 -0.01612 2 2S 0.07242 0.00000 -0.00003 0.03919 0.05077 3 2PX 0.06432 -0.00002 -0.00002 0.04904 -0.00743 4 2PY 0.06772 -0.00001 -0.00002 0.06161 0.04314 5 2PZ 0.00000 0.02467 -0.02498 0.00001 0.00000 6 3S -0.47989 0.00020 0.00006 -0.71922 -0.43971 7 3PX -0.63077 0.00012 0.00019 -0.46376 -0.05210 8 3PY -0.56648 0.00009 0.00019 -0.54778 -0.34729 9 3PZ 0.00001 -0.12997 0.11114 -0.00007 0.00001 10 4S -1.98291 0.00002 0.00080 -0.77441 -0.94753 11 4PX 0.25063 0.00012 -0.00019 -0.27327 0.50256 12 4PY -0.60148 0.00003 0.00024 -0.70388 -0.14749 13 4PZ 0.00000 -0.15112 0.12486 -0.00008 0.00000 14 5XX -0.16954 0.00012 0.00002 -0.28973 -0.10091 15 5YY -0.04956 0.00001 0.00003 -0.05064 -0.05326 16 5ZZ 0.17693 -0.00013 -0.00003 0.31581 0.09424 17 5XY -0.19173 0.00001 0.00008 -0.12926 -0.41416 18 5XZ -0.00001 0.06408 -0.08056 0.00003 0.00001 19 5YZ -0.00014 0.35235 -0.33603 0.00012 -0.00004 20 2 Al 1S 0.01919 0.00001 -0.00001 -0.02130 -0.01612 21 2S -0.07241 -0.00001 0.00003 0.03921 0.05078 22 2PX 0.06432 0.00002 -0.00002 -0.04903 0.00743 23 2PY 0.06772 0.00002 -0.00003 -0.06162 -0.04314 24 2PZ 0.00000 -0.02466 -0.02499 -0.00001 0.00000 25 3S 0.47975 0.00023 -0.00015 -0.71923 -0.43981 26 3PX -0.63075 -0.00018 0.00025 0.46367 0.05211 27 3PY -0.56650 -0.00015 0.00025 0.54785 0.34735 28 3PZ 0.00000 0.12994 0.11118 0.00006 -0.00001 29 4S 1.98291 0.00022 -0.00088 -0.77471 -0.94774 30 4PX 0.25070 -0.00008 -0.00015 0.27306 -0.50252 31 4PY -0.60146 -0.00010 0.00031 0.70397 0.14768 32 4PZ 0.00000 0.15109 0.12491 0.00006 -0.00001 33 5XX 0.16948 0.00013 -0.00007 -0.28969 -0.10081 34 5YY 0.04959 0.00002 -0.00004 -0.05066 -0.05334 35 5ZZ -0.17686 -0.00014 0.00007 0.31583 0.09426 36 5XY 0.19166 0.00003 -0.00009 -0.12934 -0.41416 37 5XZ 0.00001 0.06401 0.08055 0.00002 0.00000 38 5YZ 0.00011 0.35226 0.33615 0.00008 -0.00004 39 3 Cl 1S 0.00000 0.00000 -0.00385 -0.01219 -0.02247 40 2S 0.00000 0.00000 -0.00089 -0.01279 -0.02104 41 2PX 0.04995 -0.01292 -0.00002 -0.00001 0.00000 42 2PY 0.00047 0.00833 0.00000 0.00001 0.00000 43 2PZ 0.00000 0.00000 -0.00366 0.01563 0.02292 44 3S -0.00005 0.00005 -0.10171 -0.34013 -0.62473 45 3PX -0.23815 0.05548 0.00010 0.00003 0.00002 46 3PY -0.00949 -0.04919 0.00000 -0.00003 0.00003 47 3PZ -0.00001 0.00002 0.01499 -0.08707 -0.11950 48 4S 0.00010 -0.00009 0.23373 0.84853 1.64142 49 4PX 0.71856 -0.12183 -0.00031 -0.00008 -0.00006 50 4PY 0.08012 0.14785 -0.00003 0.00008 -0.00008 51 4PZ 0.00002 -0.00005 -0.00679 0.32164 0.51573 52 5XX -0.00006 0.00011 -0.09931 0.02942 -0.07134 53 5YY 0.00006 0.00001 0.14525 -0.34164 -0.04637 54 5ZZ 0.00000 -0.00011 -0.05700 0.24555 0.00895 55 5XY -0.00008 -0.00001 -0.24926 0.22279 -0.06790 56 5XZ 0.31046 0.08117 -0.00011 0.00002 -0.00006 57 5YZ 0.23769 0.22014 -0.00007 0.00007 -0.00007 58 4 Cl 1S 0.00000 0.00000 0.00385 -0.01219 -0.02247 59 2S 0.00000 0.00000 0.00089 -0.01278 -0.02104 60 2PX 0.04995 0.01292 -0.00002 0.00000 -0.00001 61 2PY 0.00047 -0.00833 0.00000 0.00000 0.00000 62 2PZ -0.00001 0.00000 -0.00366 -0.01563 -0.02292 63 3S -0.00001 0.00002 0.10168 -0.34014 -0.62473 64 3PX -0.23815 -0.05550 0.00008 0.00000 0.00003 65 3PY -0.00949 0.04918 0.00001 0.00002 0.00001 66 3PZ 0.00003 -0.00003 0.01500 0.08706 0.11950 67 4S 0.00000 -0.00003 -0.23366 0.84855 1.64140 68 4PX 0.71855 0.12190 -0.00027 0.00001 -0.00009 69 4PY 0.08013 -0.14783 -0.00006 -0.00008 -0.00005 70 4PZ -0.00007 0.00005 -0.00682 -0.32163 -0.51573 71 5XX 0.00005 0.00003 0.09930 0.02941 -0.07134 72 5YY -0.00010 0.00010 -0.14528 -0.34162 -0.04637 73 5ZZ 0.00005 -0.00012 0.05703 0.24554 0.00895 74 5XY 0.00001 -0.00005 0.24928 0.22277 -0.06789 75 5XZ -0.31047 0.08114 0.00011 0.00002 0.00003 76 5YZ -0.23771 0.22011 0.00015 0.00008 0.00001 77 5 Cl 1S -0.00438 0.00000 0.00000 0.00224 -0.00743 78 2S -0.00374 0.00000 0.00000 -0.00006 -0.00278 79 2PX 0.01630 -0.00001 0.00000 0.00952 -0.03401 80 2PY 0.01851 0.00000 0.00000 0.00877 0.00988 81 2PZ -0.00001 0.01609 -0.01813 0.00001 0.00000 82 3S -0.11928 0.00002 0.00002 0.05674 -0.19384 83 3PX -0.07224 0.00003 0.00001 -0.04728 0.16266 84 3PY -0.08793 0.00001 0.00002 -0.04293 -0.04996 85 3PZ 0.00003 -0.07966 0.08874 -0.00003 0.00000 86 4S 0.25682 -0.00002 -0.00006 -0.21787 0.39464 87 4PX 0.14203 -0.00007 -0.00001 0.15213 -0.39024 88 4PY 0.21019 -0.00003 -0.00005 0.07478 0.13583 89 4PZ -0.00006 0.20426 -0.21520 0.00009 -0.00001 90 5XX -0.13929 0.00000 0.00004 -0.00289 0.11181 91 5YY 0.13380 -0.00001 -0.00005 0.15994 -0.06870 92 5ZZ -0.01881 0.00002 0.00002 -0.15054 -0.07689 93 5XY 0.25944 -0.00014 -0.00001 0.26516 -0.53173 94 5XZ 0.00003 -0.05553 0.09229 -0.00003 0.00002 95 5YZ -0.00024 0.62922 -0.60352 0.00021 -0.00005 96 6 Cl 1S 0.00439 0.00000 0.00000 0.00224 -0.00743 97 2S 0.00374 0.00000 0.00000 -0.00006 -0.00278 98 2PX 0.01629 0.00001 0.00000 -0.00952 0.03400 99 2PY 0.01851 0.00000 0.00000 -0.00877 -0.00988 100 2PZ 0.00000 -0.01609 -0.01813 0.00000 0.00000 101 3S 0.11931 0.00002 -0.00002 0.05675 -0.19377 102 3PX -0.07222 -0.00003 0.00002 0.04728 -0.16263 103 3PY -0.08794 -0.00002 0.00002 0.04294 0.04995 104 3PZ 0.00002 0.07964 0.08876 0.00002 -0.00001 105 4S -0.25686 -0.00002 0.00004 -0.21786 0.39447 106 4PX 0.14200 0.00008 -0.00003 -0.15211 0.39017 107 4PY 0.21021 0.00004 -0.00007 -0.07482 -0.13580 108 4PZ -0.00005 -0.20421 -0.21526 -0.00006 0.00002 109 5XX 0.13934 0.00001 -0.00004 -0.00297 0.11187 110 5YY -0.13385 -0.00003 0.00007 0.16000 -0.06876 111 5ZZ 0.01881 0.00002 -0.00004 -0.15053 -0.07689 112 5XY -0.25952 -0.00015 0.00005 0.26506 -0.53165 113 5XZ -0.00003 -0.05558 -0.09238 -0.00002 0.00002 114 5YZ 0.00018 0.62905 0.60368 0.00014 -0.00004 115 7 Br 1S 0.00635 0.00000 0.00000 0.00645 -0.00109 116 2S -0.04625 0.00000 0.00001 -0.04576 0.00401 117 3S 0.06461 -0.00001 -0.00002 0.06162 0.00234 118 4S 0.09104 -0.00001 -0.00003 0.09466 -0.02372 119 5S -1.66947 0.00026 0.00052 -1.57809 -0.58559 120 6S 3.76319 -0.00060 -0.00118 3.51872 1.47323 121 7PX 0.01201 0.00000 0.00000 0.00836 0.00225 122 7PY 0.00232 0.00000 0.00000 0.00276 -0.01156 123 7PZ 0.00000 -0.00359 0.00339 0.00000 0.00000 124 8PX -0.04059 0.00000 0.00002 -0.02858 -0.00830 125 8PY -0.00856 0.00001 0.00000 -0.00997 0.03733 126 8PZ 0.00000 0.01156 -0.01090 0.00000 0.00000 127 9PX 0.26025 0.00000 -0.00009 0.20724 0.11084 128 9PY 0.10730 -0.00004 -0.00001 0.11030 -0.10227 129 9PZ 0.00001 -0.03541 0.03216 -0.00001 0.00000 130 10PX -1.06955 0.00013 0.00036 -0.92476 -0.62449 131 10PY -0.62829 0.00017 0.00015 -0.60124 -0.11181 132 10PZ -0.00002 0.03562 -0.02706 -0.00001 -0.00001 133 11XX -0.07343 0.00001 0.00003 -0.06620 -0.04800 134 11YY -0.03331 0.00001 0.00001 -0.03409 0.01462 135 11ZZ 0.01983 -0.00001 0.00000 0.01822 0.02818 136 11XY -0.07994 0.00002 0.00002 -0.07328 -0.04261 137 11XZ 0.00000 -0.01467 0.01503 -0.00001 0.00000 138 11YZ 0.00000 -0.00303 0.00410 0.00000 0.00000 139 12XX -0.25216 0.00006 0.00006 -0.24176 0.05698 140 12YY -0.51521 0.00004 0.00019 -0.45726 -0.32916 141 12ZZ -0.85728 0.00017 0.00025 -0.79454 -0.44578 142 12XY 0.52006 -0.00012 -0.00014 0.48096 0.30323 143 12XZ -0.00001 0.07976 -0.08191 0.00005 0.00001 144 12YZ 0.00000 0.01938 -0.02544 0.00002 0.00001 145 8 Br 1S -0.00635 0.00000 0.00000 0.00645 -0.00109 146 2S 0.04625 0.00001 -0.00002 -0.04576 0.00399 147 3S -0.06461 -0.00001 0.00003 0.06162 0.00236 148 4S -0.09106 -0.00001 0.00004 0.09465 -0.02368 149 5S 1.66945 0.00041 -0.00070 -1.57812 -0.58592 150 6S -3.76308 -0.00095 0.00157 3.51883 1.47391 151 7PX 0.01201 0.00000 -0.00001 -0.00836 -0.00225 152 7PY 0.00232 0.00000 0.00000 -0.00276 0.01156 153 7PZ 0.00000 0.00359 0.00339 0.00000 0.00000 154 8PX -0.04060 0.00000 0.00002 0.02857 0.00832 155 8PY -0.00857 0.00000 0.00000 0.00997 -0.03733 156 8PZ 0.00000 -0.01156 -0.01090 0.00000 0.00000 157 9PX 0.26026 0.00003 -0.00012 -0.20722 -0.11091 158 9PY 0.10735 0.00004 -0.00003 -0.11031 0.10226 159 9PZ 0.00001 0.03540 0.03217 0.00000 0.00000 160 10PX -1.06944 -0.00023 0.00046 0.92472 0.62465 161 10PY -0.62841 -0.00022 0.00023 0.60135 0.11192 162 10PZ -0.00003 -0.03562 -0.02706 0.00002 0.00002 163 11XX 0.07341 0.00001 -0.00003 -0.06618 -0.04800 164 11YY 0.03333 0.00001 -0.00001 -0.03410 0.01461 165 11ZZ -0.01982 -0.00001 0.00001 0.01822 0.02818 166 11XY 0.07994 0.00003 -0.00003 -0.07329 -0.04263 167 11XZ 0.00000 -0.01466 -0.01503 -0.00001 0.00000 168 11YZ 0.00000 -0.00303 -0.00410 0.00000 0.00000 169 12XX 0.25229 0.00008 -0.00010 -0.24186 0.05688 170 12YY 0.51507 0.00009 -0.00023 -0.45720 -0.32919 171 12ZZ 0.85723 0.00025 -0.00034 -0.79456 -0.44589 172 12XY -0.52005 -0.00017 0.00020 0.48101 0.30330 173 12XZ 0.00000 0.07973 0.08193 0.00004 0.00001 174 12YZ -0.00001 0.01938 0.02546 0.00002 0.00001 156 157 158 159 160 V V V V V Eigenvalues -- 1.02794 1.09697 1.09732 1.10337 1.15222 1 1 Al 1S 0.00682 -0.00056 0.00895 0.01599 -0.00001 2 2S -0.10988 0.00750 -0.11923 -0.05768 0.00003 3 2PX -0.00902 -0.00681 0.10787 0.13580 -0.00006 4 2PY -0.03214 -0.00252 0.04000 0.03478 -0.00002 5 2PZ 0.00000 0.08190 0.00515 -0.00001 -0.08388 6 3S -0.23516 -0.00457 0.07365 0.57306 -0.00039 7 3PX 0.21385 0.04813 -0.76135 -1.13069 0.00045 8 3PY 0.26623 0.02757 -0.43704 -0.31432 0.00017 9 3PZ -0.00001 -0.62544 -0.03934 -0.00002 0.49787 10 4S 3.49873 -0.12809 2.04101 0.38553 -0.00029 11 4PX -1.61365 0.06450 -1.02588 -0.44490 0.00021 12 4PY 0.55956 -0.01310 0.20987 -0.21352 0.00008 13 4PZ 0.00003 -0.06971 -0.00434 0.00012 0.35003 14 5XX 0.07323 0.02480 -0.39390 -0.18393 0.00012 15 5YY 0.13142 0.01941 -0.30772 -0.26247 0.00010 16 5ZZ -0.04798 -0.00876 0.13833 0.03381 0.00002 17 5XY 0.49497 0.02995 -0.47405 -0.53435 0.00022 18 5XZ -0.00001 0.54748 0.03439 -0.00004 -0.47810 19 5YZ 0.00004 -0.22296 -0.01402 0.00000 0.19364 20 2 Al 1S -0.00682 0.00055 -0.00894 0.01600 -0.00001 21 2S 0.10987 -0.00746 0.11917 -0.05780 0.00002 22 2PX -0.00902 -0.00674 0.10775 -0.13590 0.00004 23 2PY -0.03214 -0.00251 0.03998 -0.03483 0.00001 24 2PZ 0.00000 0.08189 0.00516 0.00005 0.08389 25 3S 0.23527 0.00430 -0.07314 0.57310 -0.00033 26 3PX 0.21383 0.04752 -0.76031 1.13135 -0.00036 27 3PY 0.26623 0.02741 -0.43687 0.31485 -0.00011 28 3PZ 0.00000 -0.62540 -0.03938 -0.00030 -0.49794 29 4S -3.49871 0.12788 -2.04053 0.38774 -0.00008 30 4PX -1.61376 0.06425 -1.02541 0.44597 -0.00011 31 4PY 0.55930 -0.01321 0.20995 0.21332 -0.00009 32 4PZ 0.00002 -0.06967 -0.00438 -0.00015 -0.35004 33 5XX -0.07314 -0.02470 0.39366 -0.18418 0.00008 34 5YY -0.13153 -0.01927 0.30758 -0.26286 0.00007 35 5ZZ 0.04795 0.00874 -0.13830 0.03394 0.00002 36 5XY -0.49499 -0.02967 0.47360 -0.53475 0.00016 37 5XZ 0.00002 -0.54746 -0.03444 -0.00031 -0.47818 38 5YZ -0.00004 0.22290 0.01404 0.00011 0.19359 39 3 Cl 1S 0.00000 0.01913 0.00121 0.02427 -0.00001 40 2S 0.00000 0.05101 0.00323 0.04464 -0.00002 41 2PX -0.05924 0.00279 -0.04439 0.00003 0.01480 42 2PY 0.03843 -0.00083 0.01318 -0.00001 -0.00570 43 2PZ 0.00000 -0.02016 -0.00127 -0.02000 0.00000 44 3S 0.00006 0.61375 0.03896 0.73479 -0.00023 45 3PX 0.28289 -0.01473 0.23424 -0.00019 -0.12284 46 3PY -0.18341 0.00479 -0.07626 0.00005 0.04788 47 3PZ 0.00001 0.15840 0.01000 0.15052 -0.00002 48 4S -0.00014 -1.42069 -0.09035 -1.85707 0.00066 49 4PX -0.91035 0.05470 -0.87213 0.00071 0.70701 50 4PY 0.48827 -0.02572 0.41072 -0.00026 -0.27926 51 4PZ -0.00001 -0.79601 -0.05048 -0.90472 0.00028 52 5XX 0.00002 -0.15416 -0.00962 0.12292 -0.00005 53 5YY -0.00003 0.54577 0.03447 0.38910 -0.00009 54 5ZZ 0.00001 -0.23243 -0.01476 -0.36283 0.00009 55 5XY -0.00002 0.38110 0.02408 0.25474 -0.00011 56 5XZ -0.08266 0.03158 -0.50336 0.00047 0.64712 57 5YZ 0.15263 -0.01359 0.21756 -0.00016 -0.25659 58 4 Cl 1S 0.00000 -0.01914 -0.00119 0.02427 -0.00001 59 2S 0.00000 -0.05103 -0.00319 0.04461 -0.00002 60 2PX -0.05924 0.00280 -0.04440 0.00001 -0.01480 61 2PY 0.03842 -0.00083 0.01318 0.00000 0.00570 62 2PZ 0.00000 -0.02017 -0.00125 0.01999 0.00000 63 3S -0.00002 -0.61415 -0.03824 0.73449 -0.00029 64 3PX 0.28289 -0.01474 0.23426 -0.00005 0.12283 65 3PY -0.18340 0.00481 -0.07627 0.00001 -0.04787 66 3PZ 0.00000 0.15849 0.00987 -0.15045 0.00003 67 4S 0.00007 1.42169 0.08850 -1.85635 0.00081 68 4PX -0.91034 0.05474 -0.87219 0.00022 -0.70691 69 4PY 0.48827 -0.02584 0.41074 -0.00008 0.27922 70 4PZ 0.00003 -0.79651 -0.04963 0.90431 -0.00036 71 5XX -0.00003 0.15407 0.00977 0.12300 0.00001 72 5YY 0.00007 -0.54598 -0.03414 0.38883 -0.00019 73 5ZZ -0.00004 0.23265 0.01444 -0.36272 0.00012 74 5XY -0.00001 -0.38123 -0.02382 0.25454 -0.00008 75 5XZ 0.08266 -0.03160 0.50343 -0.00006 0.64706 76 5YZ -0.15262 0.01373 -0.21759 -0.00004 -0.25657 77 5 Cl 1S 0.00849 -0.00064 0.01022 0.00627 0.00000 78 2S 0.01184 -0.00060 0.00960 0.01025 -0.00001 79 2PX 0.03260 -0.00125 0.01982 0.00750 0.00000 80 2PY -0.00426 0.00074 -0.01178 0.00064 0.00000 81 2PZ 0.00000 -0.00459 -0.00029 0.00000 -0.00592 82 3S 0.24505 -0.01791 0.28509 0.18473 -0.00013 83 3PX -0.16295 0.00570 -0.09061 -0.03613 0.00002 84 3PY 0.02836 -0.00403 0.06418 0.00968 -0.00001 85 3PZ 0.00000 0.02132 0.00134 0.00001 0.02726 86 4S -0.70727 0.04890 -0.77790 -0.54756 0.00036 87 4PX 0.49008 -0.01774 0.28196 0.17520 -0.00009 88 4PY -0.21479 0.02065 -0.32880 -0.19592 0.00016 89 4PZ 0.00001 -0.00899 -0.00056 -0.00003 -0.09798 90 5XX -0.01488 -0.00809 0.12867 0.10159 -0.00008 91 5YY 0.07193 0.00699 -0.11149 -0.13336 0.00012 92 5ZZ -0.00829 -0.00197 0.03157 0.07178 -0.00007 93 5XY 0.52161 -0.00156 0.02488 0.03725 -0.00002 94 5XZ -0.00003 -0.01996 -0.00125 0.00001 0.02224 95 5YZ 0.00003 -0.03721 -0.00234 -0.00001 -0.00072 96 6 Cl 1S -0.00849 0.00064 -0.01022 0.00628 0.00000 97 2S -0.01184 0.00060 -0.00959 0.01026 -0.00001 98 2PX 0.03261 -0.00124 0.01981 -0.00752 0.00000 99 2PY -0.00426 0.00074 -0.01178 -0.00063 0.00000 100 2PZ 0.00000 -0.00459 -0.00029 0.00000 0.00592 101 3S -0.24510 0.01782 -0.28490 0.18503 -0.00008 102 3PX -0.16299 0.00568 -0.09058 0.03623 -0.00001 103 3PY 0.02834 -0.00402 0.06415 -0.00975 0.00000 104 3PZ 0.00000 0.02131 0.00133 0.00000 -0.02725 105 4S 0.70738 -0.04861 0.77736 -0.54836 0.00024 106 4PX 0.49019 -0.01765 0.28183 -0.17553 0.00006 107 4PY -0.21473 0.02054 -0.32856 0.19624 -0.00011 108 4PZ 0.00001 -0.00899 -0.00055 0.00002 0.09797 109 5XX 0.01504 0.00804 -0.12856 0.10170 -0.00006 110 5YY -0.07209 -0.00693 0.11136 -0.13345 0.00009 111 5ZZ 0.00829 0.00193 -0.03151 0.07182 -0.00005 112 5XY -0.52165 0.00154 -0.02487 0.03733 -0.00002 113 5XZ 0.00003 0.01996 0.00126 0.00002 0.02224 114 5YZ -0.00003 0.03721 0.00234 0.00001 -0.00072 115 7 Br 1S 0.00132 0.00015 -0.00235 0.00091 0.00000 116 2S -0.00401 -0.00088 0.01415 -0.00650 0.00000 117 3S -0.00529 0.00086 -0.01373 0.00874 0.00000 118 4S 0.02895 0.00255 -0.04072 0.01372 0.00000 119 5S 0.75199 0.02820 -0.44348 -0.78774 0.00026 120 6S -1.97318 -0.07342 1.15629 1.85841 -0.00064 121 7PX -0.00416 0.00075 -0.01186 -0.00585 0.00000 122 7PY 0.01262 0.00032 -0.00504 -0.00281 0.00000 123 7PZ 0.00000 0.00140 0.00009 0.00000 0.00273 124 8PX 0.01468 -0.00240 0.03809 0.01829 -0.00001 125 8PY -0.04082 -0.00099 0.01577 0.00848 -0.00001 126 8PZ 0.00000 -0.00459 -0.00029 -0.00001 -0.00898 127 9PX -0.14793 0.00482 -0.07697 0.00716 0.00001 128 9PY 0.11634 -0.00045 0.00692 0.03343 0.00000 129 9PZ 0.00000 0.01894 0.00119 0.00002 0.03803 130 10PX 0.81949 0.01741 -0.27355 -0.49172 0.00016 131 10PY 0.10958 0.02667 -0.42164 -0.48200 0.00017 132 10PZ 0.00001 -0.00173 -0.00013 -0.00006 -0.10612 133 11XX 0.04818 0.00128 -0.02018 -0.03045 0.00001 134 11YY -0.02075 0.00043 -0.00672 -0.00885 0.00000 135 11ZZ -0.01690 -0.00277 0.04386 0.02748 -0.00001 136 11XY 0.04803 0.00357 -0.05645 -0.05976 0.00002 137 11XZ 0.00000 -0.00288 -0.00018 0.00000 -0.00210 138 11YZ 0.00000 -0.00267 -0.00017 0.00000 0.00019 139 12XX 0.01080 -0.00003 0.00078 -0.06271 0.00002 140 12YY 0.44331 0.00653 -0.10253 -0.20954 0.00007 141 12ZZ 0.46861 0.02894 -0.45749 -0.48593 0.00017 142 12XY -0.34033 -0.02628 0.41548 0.43159 -0.00016 143 12XZ -0.00001 0.01125 0.00072 0.00002 0.01545 144 12YZ 0.00000 0.01270 0.00081 0.00002 0.00221 145 8 Br 1S -0.00132 -0.00015 0.00235 0.00091 0.00000 146 2S 0.00402 0.00089 -0.01415 -0.00648 0.00000 147 3S 0.00528 -0.00086 0.01373 0.00872 0.00000 148 4S -0.02897 -0.00256 0.04072 0.01367 0.00000 149 5S -0.75182 -0.02777 0.44287 -0.78809 0.00021 150 6S 1.97286 0.07241 -1.15480 1.85933 -0.00052 151 7PX -0.00416 0.00074 -0.01185 0.00586 0.00000 152 7PY 0.01261 0.00032 -0.00505 0.00281 0.00000 153 7PZ 0.00000 0.00140 0.00009 0.00000 -0.00273 154 8PX 0.01468 -0.00239 0.03807 -0.01833 0.00001 155 8PY -0.04081 -0.00099 0.01578 -0.00849 0.00000 156 8PZ 0.00000 -0.00459 -0.00029 0.00000 0.00898 157 9PX -0.14790 0.00482 -0.07693 -0.00707 0.00000 158 9PY 0.11631 -0.00043 0.00685 -0.03346 0.00001 159 9PZ 0.00000 0.01895 0.00119 -0.00001 -0.03803 160 10PX 0.81938 0.01715 -0.27317 0.49185 -0.00013 161 10PY 0.10968 0.02641 -0.42122 0.48246 -0.00013 162 10PZ 0.00001 -0.00176 -0.00012 0.00006 0.10613 163 11XX -0.04816 -0.00127 0.02015 -0.03045 0.00001 164 11YY 0.02074 -0.00042 0.00672 -0.00886 0.00000 165 11ZZ 0.01690 0.00275 -0.04383 0.02752 -0.00001 166 11XY -0.04804 -0.00354 0.05640 -0.05982 0.00002 167 11XZ 0.00000 0.00288 0.00018 0.00000 -0.00210 168 11YZ 0.00000 0.00267 0.00017 0.00000 0.00019 169 12XX -0.01086 0.00006 -0.00077 -0.06279 0.00002 170 12YY -0.44320 -0.00641 0.10229 -0.20952 0.00006 171 12ZZ -0.46855 -0.02868 0.45710 -0.48633 0.00013 172 12XY 0.34040 0.02604 -0.41511 0.43198 -0.00011 173 12XZ 0.00002 -0.01125 -0.00072 0.00002 0.01546 174 12YZ 0.00001 -0.01270 -0.00082 0.00001 0.00221 161 162 163 164 165 V V V V V Eigenvalues -- 1.25951 1.26507 1.67594 1.72989 2.04457 1 1 Al 1S -0.01111 -0.01169 -0.00012 0.00150 0.09833 2 2S 0.02969 0.02030 0.00329 -0.00817 -0.40705 3 2PX 0.03462 0.02039 -0.02419 -0.00928 0.01069 4 2PY -0.11240 -0.10767 -0.01114 -0.01540 -0.00549 5 2PZ 0.00001 0.00001 0.00000 0.00000 0.00000 6 3S -0.45688 -0.46630 -0.04761 -0.02231 5.41297 7 3PX -0.27464 -0.09597 0.02110 -0.10443 -0.09790 8 3PY 0.86153 0.80365 -0.02265 0.00024 0.01618 9 3PZ -0.00008 -0.00007 0.00001 0.00000 0.00001 10 4S -0.16761 -0.23743 -1.15165 -0.94295 -0.62817 11 4PX 0.02437 0.02589 -0.22684 -0.52003 0.03668 12 4PY 0.38577 0.21358 -0.44434 -0.93076 0.00409 13 4PZ -0.00003 -0.00002 -0.00003 -0.00003 0.00000 14 5XX 0.40654 0.34679 0.05301 0.06358 -2.21091 15 5YY -0.44552 -0.50628 0.05844 0.02439 -2.29102 16 5ZZ 0.34725 0.32799 0.01063 -0.00006 -2.21486 17 5XY 0.04664 0.09211 0.08795 0.05555 -0.04624 18 5XZ 0.00005 0.00004 0.00000 0.00000 -0.00002 19 5YZ 0.00001 0.00001 0.00001 0.00001 0.00001 20 2 Al 1S -0.01111 0.01169 0.00012 0.00150 -0.09830 21 2S 0.02970 -0.02030 -0.00329 -0.00817 0.40692 22 2PX -0.03463 0.02041 -0.02419 0.00928 0.01069 23 2PY 0.11239 -0.10767 -0.01114 0.01540 -0.00549 24 2PZ -0.00001 0.00001 0.00000 0.00000 0.00000 25 3S -0.45683 0.46631 0.04756 -0.02230 -5.41122 26 3PX 0.27477 -0.09605 0.02107 0.10443 -0.09790 27 3PY -0.86149 0.80364 -0.02262 -0.00019 0.01618 28 3PZ 0.00007 -0.00005 0.00001 0.00000 0.00001 29 4S -0.16785 0.23734 1.15173 -0.94309 0.62794 30 4PX -0.02443 0.02581 -0.22665 0.51992 0.03665 31 4PY -0.38570 0.21363 -0.44427 0.93094 0.00409 32 4PZ 0.00003 -0.00001 -0.00003 0.00004 0.00000 33 5XX 0.40652 -0.34677 -0.05299 0.06356 2.21016 34 5YY -0.44553 0.50626 -0.05843 0.02443 2.29027 35 5ZZ 0.34724 -0.32799 -0.01061 -0.00004 2.21415 36 5XY 0.04674 -0.09223 -0.08795 0.05555 0.04623 37 5XZ 0.00004 -0.00003 0.00000 0.00000 0.00002 38 5YZ 0.00001 -0.00002 -0.00001 0.00001 -0.00001 39 3 Cl 1S 0.00513 0.00000 0.00000 -0.00184 0.00000 40 2S 0.02527 0.00000 0.00000 -0.01231 -0.00001 41 2PX 0.00000 0.00742 0.00636 0.00000 -0.01366 42 2PY 0.00000 -0.00163 0.00282 0.00000 0.00451 43 2PZ 0.00274 0.00000 0.00000 -0.01249 -0.00001 44 3S 0.19330 0.00000 0.00002 -0.07889 -0.00002 45 3PX 0.00001 -0.01429 -0.03876 0.00000 0.01546 46 3PY 0.00000 0.00236 -0.01431 -0.00001 -0.00184 47 3PZ 0.02192 -0.00001 0.00000 0.05561 0.00002 48 4S -0.52527 -0.00001 -0.00005 0.40532 0.00007 49 4PX -0.00010 -0.12522 0.29409 -0.00001 -0.00619 50 4PY 0.00003 -0.03717 0.05659 0.00000 -0.00658 51 4PZ -0.32314 -0.00002 0.00000 -0.00833 0.00002 52 5XX -0.02378 -0.00001 0.00000 0.03370 0.00000 53 5YY 0.21093 0.00002 -0.00001 -0.04476 -0.00003 54 5ZZ -0.12246 -0.00001 0.00001 -0.01170 0.00001 55 5XY 0.06198 0.00004 0.00000 0.02624 -0.00003 56 5XZ -0.00005 -0.19910 0.04610 0.00000 0.15930 57 5YZ 0.00005 0.06791 0.01342 0.00000 -0.06281 58 4 Cl 1S 0.00513 0.00000 0.00000 -0.00184 0.00000 59 2S 0.02526 -0.00001 0.00000 -0.01231 0.00000 60 2PX 0.00000 0.00742 0.00636 0.00000 -0.01366 61 2PY 0.00000 -0.00163 0.00282 0.00000 0.00451 62 2PZ -0.00274 0.00000 0.00000 0.01249 0.00000 63 3S 0.19330 -0.00003 0.00001 -0.07890 -0.00002 64 3PX 0.00001 -0.01429 -0.03876 0.00000 0.01546 65 3PY -0.00001 0.00236 -0.01431 0.00001 -0.00184 66 3PZ -0.02193 -0.00001 0.00001 -0.05561 0.00002 67 4S -0.52525 0.00014 -0.00006 0.40532 0.00004 68 4PX 0.00003 -0.12520 0.29409 0.00000 -0.00620 69 4PY 0.00001 -0.03717 0.05659 -0.00006 -0.00658 70 4PZ 0.32313 -0.00004 0.00001 0.00832 -0.00001 71 5XX -0.02378 0.00002 0.00000 0.03370 -0.00002 72 5YY 0.21092 -0.00003 0.00000 -0.04477 -0.00001 73 5ZZ -0.12246 0.00001 0.00000 -0.01170 0.00000 74 5XY 0.06197 -0.00001 0.00000 0.02624 -0.00001 75 5XZ -0.00006 0.19908 -0.04610 0.00000 -0.15929 76 5YZ 0.00001 -0.06790 -0.01342 0.00001 0.06281 77 5 Cl 1S -0.01290 -0.01018 0.00037 0.00410 0.00236 78 2S -0.04564 -0.04696 -0.00503 -0.00262 -0.02731 79 2PX 0.00095 -0.00109 0.01074 0.00235 0.00283 80 2PY -0.02012 -0.02639 -0.00020 -0.00038 -0.02524 81 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 3S -0.45534 -0.38715 -0.00055 0.11056 -0.00102 83 3PX 0.00196 0.01109 -0.05276 -0.01655 -0.01106 84 3PY 0.03232 0.05992 -0.00227 -0.00153 0.09503 85 3PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 86 4S 1.37755 1.23359 0.08112 -0.26103 0.06325 87 4PX -0.08148 -0.10705 0.14072 0.11474 0.00557 88 4PY 0.75221 0.70569 0.08000 0.05360 -0.00551 89 4PZ -0.00002 -0.00002 0.00001 0.00002 0.00000 90 5XX -0.36498 -0.35883 -0.03144 -0.02437 -0.08596 91 5YY 0.63851 0.64363 0.01019 0.02368 0.13369 92 5ZZ -0.36214 -0.37076 0.00870 -0.01623 -0.08527 93 5XY -0.11869 -0.12691 0.03193 0.03291 -0.02588 94 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 5YZ -0.00004 -0.00004 0.00000 0.00000 -0.00001 96 6 Cl 1S -0.01290 0.01018 -0.00037 0.00410 -0.00236 97 2S -0.04564 0.04696 0.00503 -0.00262 0.02730 98 2PX -0.00095 -0.00108 0.01073 -0.00236 0.00283 99 2PY 0.02012 -0.02640 -0.00020 0.00038 -0.02523 100 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 3S -0.45535 0.38713 0.00062 0.11062 0.00100 102 3PX -0.00197 0.01107 -0.05274 0.01657 -0.01107 103 3PY -0.03232 0.05992 -0.00228 0.00153 0.09500 104 3PZ 0.00000 0.00000 0.00000 0.00001 0.00000 105 4S 1.37757 -1.23357 -0.08129 -0.26116 -0.06320 106 4PX 0.08160 -0.10710 0.14063 -0.11478 0.00559 107 4PY -0.75222 0.70566 0.08006 -0.05358 -0.00551 108 4PZ 0.00002 -0.00002 0.00001 -0.00002 0.00000 109 5XX -0.36496 0.35880 0.03144 -0.02438 0.08593 110 5YY 0.63849 -0.64360 -0.01021 0.02368 -0.13364 111 5ZZ -0.36214 0.37076 -0.00870 -0.01622 0.08523 112 5XY -0.11883 0.12704 -0.03191 0.03291 0.02589 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ -0.00003 0.00004 0.00000 0.00000 0.00001 115 7 Br 1S 0.00091 -0.00037 -0.04520 -0.04487 -0.00072 116 2S -0.00446 0.00178 0.22368 0.22293 0.00952 117 3S 0.00183 -0.00085 -0.09151 -0.09153 -0.02251 118 4S 0.01814 -0.00655 -0.95389 -0.95963 -0.00147 119 5S 0.13248 0.12747 -1.09882 -1.46523 -0.08148 120 6S -0.43012 -0.29687 6.34717 7.28236 0.05407 121 7PX 0.00141 -0.00067 0.01289 0.01441 -0.00713 122 7PY 0.00337 0.00371 0.00744 0.00845 -0.00513 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX -0.00450 0.00226 -0.04278 -0.04797 0.02354 125 8PY -0.01094 -0.01200 -0.02474 -0.02810 0.01693 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX 0.00714 -0.01748 0.19205 0.22497 -0.05175 128 9PY 0.03355 0.03397 0.11140 0.13007 -0.03362 129 9PZ -0.00001 0.00000 0.00000 0.00000 0.00000 130 10PX 0.10218 0.12377 -0.43186 -0.56283 -0.01282 131 10PY -0.01837 0.00775 -0.24906 -0.31761 -0.02420 132 10PZ 0.00002 0.00001 0.00000 -0.00001 0.00000 133 11XX -0.00143 -0.00063 0.02022 0.01887 0.00706 134 11YY 0.00027 0.00400 0.02519 0.02976 0.00981 135 11ZZ -0.00030 -0.00300 0.02824 0.02881 0.01433 136 11XY 0.00795 0.00945 -0.00451 -0.00852 -0.00743 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.06615 0.02717 -2.10568 -2.24942 0.07159 140 12YY 0.07065 0.00869 -2.13428 -2.31585 0.02635 141 12ZZ 0.08074 0.05914 -2.14411 -2.30734 -0.05016 142 12XY -0.05701 -0.06957 0.01716 0.04599 0.11649 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00091 0.00037 0.04519 -0.04487 0.00072 146 2S -0.00446 -0.00179 -0.22368 0.22294 -0.00952 147 3S 0.00184 0.00085 0.09151 -0.09153 0.02250 148 4S 0.01816 0.00657 0.95385 -0.95967 0.00148 149 5S 0.13239 -0.12754 1.09875 -1.46532 0.08144 150 6S -0.42997 0.29697 -6.34683 7.28273 -0.05403 151 7PX -0.00141 -0.00067 0.01289 -0.01441 -0.00713 152 7PY -0.00337 0.00371 0.00744 -0.00845 -0.00513 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00451 0.00227 -0.04278 0.04796 0.02353 155 8PY 0.01094 -0.01201 -0.02474 0.02810 0.01693 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX -0.00716 -0.01751 0.19204 -0.22496 -0.05173 158 9PY -0.03354 0.03397 0.11141 -0.13010 -0.03362 159 9PZ 0.00001 0.00000 0.00000 -0.00001 0.00000 160 10PX -0.10211 0.12383 -0.43183 0.56282 -0.01279 161 10PY 0.01836 0.00776 -0.24908 0.31770 -0.02421 162 10PZ -0.00002 0.00001 -0.00001 0.00001 0.00000 163 11XX -0.00143 0.00063 -0.02022 0.01887 -0.00706 164 11YY 0.00027 -0.00400 -0.02519 0.02976 -0.00981 165 11ZZ -0.00030 0.00299 -0.02824 0.02882 -0.01433 166 11XY 0.00795 -0.00945 0.00451 -0.00852 0.00743 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.06617 -0.02717 2.10558 -2.24952 -0.07153 170 12YY 0.07063 -0.00868 2.13418 -2.31594 -0.02636 171 12ZZ 0.08073 -0.05915 2.14402 -2.30744 0.05014 172 12XY -0.05700 0.06958 -0.01716 0.04600 -0.11646 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 167 168 169 170 V V V V V Eigenvalues -- 2.05009 4.20692 4.24359 4.26279 4.28553 1 1 Al 1S 0.09710 0.00000 -0.00317 0.00265 -0.00437 2 2S -0.40179 0.00000 0.01672 -0.02250 0.02052 3 2PX -0.00261 0.00000 -0.00921 0.00261 -0.00428 4 2PY 0.00075 0.00000 0.00047 -0.00746 0.00780 5 2PZ 0.00000 -0.00262 0.00000 0.00000 0.00000 6 3S 5.45475 -0.00006 -0.06902 0.13547 -0.22280 7 3PX 0.01490 0.00001 0.13429 0.00126 0.05379 8 3PY -0.04049 0.00000 -0.08452 -0.05691 0.02826 9 3PZ 0.00001 0.09329 0.00000 0.00000 0.00000 10 4S -0.71597 -0.00010 -0.26975 0.59322 -0.40546 11 4PX 0.05605 0.00006 0.09779 -0.18097 0.18176 12 4PY -0.01110 -0.00003 -0.23000 -0.08523 0.23222 13 4PZ 0.00000 0.12101 0.00000 0.00001 -0.00001 14 5XX -2.32487 0.00002 -0.01803 -0.05344 0.04879 15 5YY -2.34765 0.00002 0.01261 -0.06852 0.06999 16 5ZZ -2.22146 0.00003 -0.00991 -0.06655 0.05719 17 5XY -0.01531 0.00000 0.01581 -0.00292 0.01192 18 5XZ -0.00001 -0.04267 0.00001 0.00000 0.00000 19 5YZ 0.00001 0.01847 0.00000 0.00000 0.00000 20 2 Al 1S 0.09713 0.00000 -0.00317 -0.00265 -0.00437 21 2S -0.40192 0.00000 0.01673 0.02250 0.02052 22 2PX 0.00261 0.00000 0.00921 0.00261 0.00428 23 2PY -0.00075 0.00000 -0.00047 -0.00746 -0.00780 24 2PZ 0.00000 -0.00262 0.00000 0.00000 0.00000 25 3S 5.45649 0.00003 -0.06905 -0.13548 -0.22281 26 3PX -0.01488 -0.00001 -0.13431 0.00127 -0.05378 27 3PY 0.04049 0.00000 0.08450 -0.05693 -0.02826 28 3PZ 0.00000 0.09329 -0.00001 0.00000 0.00000 29 4S -0.71617 0.00007 -0.26986 -0.59317 -0.40542 30 4PX -0.05606 0.00005 -0.09786 -0.18094 -0.18169 31 4PY 0.01111 -0.00002 0.22999 -0.08532 -0.23222 32 4PZ 0.00000 0.12101 -0.00001 0.00001 0.00001 33 5XX -2.32558 -0.00002 -0.01802 0.05345 0.04879 34 5YY -2.34838 -0.00001 0.01263 0.06852 0.07000 35 5ZZ -2.22217 -0.00002 -0.00989 0.06656 0.05718 36 5XY -0.01532 0.00000 0.01581 0.00292 0.01191 37 5XZ -0.00001 0.04267 0.00000 0.00000 0.00000 38 5YZ 0.00000 -0.01847 0.00000 0.00000 0.00000 39 3 Cl 1S -0.00017 0.11895 0.10290 -0.00001 0.05488 40 2S -0.04790 -0.58574 -0.52613 0.00003 -0.29058 41 2PX 0.00000 0.00000 0.00000 -0.00332 0.00000 42 2PY 0.00000 0.00000 0.00000 0.00310 0.00000 43 2PZ -0.01624 0.00543 0.00613 0.00000 0.00067 44 3S -0.09709 3.81654 3.29642 -0.00021 1.75288 45 3PX 0.00002 0.00000 0.00000 0.01902 0.00000 46 3PY -0.00001 0.00000 0.00000 -0.01967 0.00000 47 3PZ 0.01241 -0.03489 -0.04222 0.00000 -0.01143 48 4S 0.32819 0.40129 0.64985 -0.00006 0.51707 49 4PX 0.00000 0.00002 0.00000 -0.11126 -0.00001 50 4PY -0.00001 -0.00002 0.00000 0.11224 -0.00002 51 4PZ 0.09533 0.12848 0.24103 -0.00002 0.14623 52 5XX -0.02768 -1.75028 -1.56020 0.00010 -0.85965 53 5YY -0.15294 -1.77939 -1.58763 0.00010 -0.85614 54 5ZZ 0.03086 -1.75172 -1.54481 0.00010 -0.84575 55 5XY -0.06653 -0.01555 -0.00305 0.00000 -0.01645 56 5XZ -0.00001 0.00000 0.00000 -0.00397 0.00000 57 5YZ -0.00001 0.00000 0.00000 0.01168 0.00000 58 4 Cl 1S -0.00017 -0.11894 0.10291 -0.00001 0.05488 59 2S -0.04790 0.58569 -0.52618 0.00003 -0.29060 60 2PX 0.00001 0.00000 0.00000 -0.00332 0.00000 61 2PY 0.00000 0.00000 0.00000 0.00310 0.00000 62 2PZ 0.01624 0.00543 -0.00613 0.00000 -0.00067 63 3S -0.09709 -3.81626 3.29670 -0.00016 1.75298 64 3PX -0.00002 0.00000 0.00000 0.01902 0.00000 65 3PY 0.00001 0.00000 0.00000 -0.01967 0.00000 66 3PZ -0.01240 -0.03489 0.04222 0.00000 0.01143 67 4S 0.32818 -0.40123 0.64987 -0.00004 0.51708 68 4PX 0.00000 0.00003 -0.00002 -0.11126 0.00000 69 4PY -0.00001 0.00000 0.00000 0.11224 -0.00001 70 4PZ -0.09533 0.12846 -0.24103 0.00001 -0.14623 71 5XX -0.02769 1.75014 -1.56033 0.00008 -0.85970 72 5YY -0.15293 1.77925 -1.58776 0.00008 -0.85618 73 5ZZ 0.03086 1.75159 -1.54494 0.00008 -0.84580 74 5XY -0.06653 0.01555 -0.00305 0.00000 -0.01645 75 5XZ 0.00005 0.00000 0.00000 0.00397 0.00000 76 5YZ -0.00001 0.00000 0.00000 -0.01168 0.00000 77 5 Cl 1S 0.00150 0.00000 -0.05666 -0.11877 0.10372 78 2S -0.02928 0.00001 0.27389 0.58447 -0.51891 79 2PX 0.00180 0.00000 -0.00103 0.00307 -0.00310 80 2PY -0.02741 0.00000 -0.00404 -0.00629 0.00509 81 2PZ 0.00000 -0.00080 0.00000 0.00000 0.00000 82 3S -0.03163 -0.00005 -1.82340 -3.81407 3.33156 83 3PX -0.00364 0.00000 0.00695 -0.01629 0.01785 84 3PY 0.10143 0.00000 0.01963 0.03671 -0.03219 85 3PZ 0.00000 0.00550 0.00000 0.00000 0.00000 86 4S 0.12430 0.00001 -0.15242 -0.46365 0.52205 87 4PX -0.03173 -0.00002 -0.03856 0.06016 -0.07683 88 4PY 0.00727 0.00000 -0.05088 -0.16379 0.16253 89 4PZ 0.00000 -0.03481 0.00000 0.00000 0.00000 90 5XX -0.08179 0.00002 0.83649 1.76566 -1.56194 91 5YY 0.13955 0.00002 0.82202 1.74561 -1.54395 92 5ZZ -0.09400 0.00002 0.83174 1.76556 -1.56317 93 5XY -0.03720 0.00000 -0.00749 0.00550 -0.01058 94 5XZ 0.00000 -0.00072 0.00000 0.00000 0.00000 95 5YZ -0.00001 -0.00639 0.00000 0.00000 0.00000 96 6 Cl 1S 0.00151 0.00000 -0.05664 0.11878 0.10372 97 2S -0.02929 0.00000 0.27381 -0.58454 -0.51888 98 2PX -0.00180 0.00000 0.00103 0.00307 0.00310 99 2PY 0.02742 0.00000 0.00404 -0.00629 -0.00509 100 2PZ 0.00000 -0.00080 0.00000 0.00000 0.00000 101 3S -0.03162 0.00000 -1.82285 3.81452 3.33136 102 3PX 0.00366 0.00000 -0.00694 -0.01629 -0.01786 103 3PY -0.10146 0.00000 -0.01963 0.03671 0.03219 104 3PZ 0.00000 0.00550 0.00000 0.00000 0.00000 105 4S 0.12431 -0.00001 -0.15237 0.46370 0.52201 106 4PX 0.03173 -0.00001 0.03856 0.06017 0.07684 107 4PY -0.00727 0.00000 0.05086 -0.16380 -0.16252 108 4PZ 0.00000 -0.03481 0.00000 0.00000 0.00000 109 5XX -0.08181 0.00000 0.83624 -1.76586 -1.56184 110 5YY 0.13958 0.00000 0.82176 -1.74581 -1.54386 111 5ZZ -0.09403 0.00000 0.83148 -1.76576 -1.56308 112 5XY -0.03724 0.00000 -0.00748 -0.00550 -0.01058 113 5XZ 0.00000 0.00072 0.00000 0.00000 0.00000 114 5YZ -0.00001 0.00639 0.00000 0.00000 0.00000 115 7 Br 1S -0.00073 0.00000 -0.00048 -0.00008 0.00057 116 2S 0.00887 0.00000 0.00566 0.00215 -0.00799 117 3S -0.02009 0.00000 -0.01125 -0.00586 0.01811 118 4S -0.00300 0.00000 -0.01161 -0.00050 0.01000 119 5S -0.16134 -0.00001 -0.15312 0.05249 0.02765 120 6S 0.24382 0.00002 0.41396 -0.14053 -0.09875 121 7PX -0.00671 0.00000 0.00100 -0.00009 0.00017 122 7PY -0.00599 0.00000 -0.00087 -0.00086 0.00001 123 7PZ 0.00000 0.00044 0.00000 0.00000 0.00000 124 8PX 0.02202 0.00000 -0.00347 0.00033 -0.00061 125 8PY 0.01976 0.00000 0.00291 0.00293 -0.00008 126 8PZ 0.00000 -0.00152 0.00000 0.00000 0.00000 127 9PX -0.03688 0.00000 0.02394 -0.00300 0.00472 128 9PY -0.04328 0.00000 -0.01409 -0.01623 0.00310 129 9PZ 0.00000 0.00983 0.00000 0.00000 0.00000 130 10PX -0.07258 -0.00002 -0.10137 0.02775 -0.01794 131 10PY -0.01360 0.00001 0.03171 0.05147 -0.01948 132 10PZ 0.00000 -0.03916 0.00000 0.00000 0.00001 133 11XX 0.00227 0.00000 0.00217 0.00151 -0.00901 134 11YY 0.00987 0.00000 0.00877 0.00398 -0.00996 135 11ZZ 0.01532 0.00000 0.00631 0.00354 -0.00788 136 11XY -0.00739 0.00000 0.00069 0.00196 -0.00089 137 11XZ 0.00000 -0.00042 0.00000 0.00000 0.00000 138 11YZ 0.00000 -0.00172 0.00000 0.00000 0.00000 139 12XX 0.06078 0.00000 -0.05090 0.03218 0.02346 140 12YY -0.01787 -0.00001 -0.10047 0.01522 0.02965 141 12ZZ -0.10043 0.00000 -0.08117 0.01928 0.01700 142 12XY 0.11920 0.00000 -0.00461 -0.01178 0.00495 143 12XZ 0.00001 0.00559 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.01155 0.00000 0.00000 0.00000 145 8 Br 1S -0.00073 0.00000 -0.00048 0.00008 0.00057 146 2S 0.00887 0.00000 0.00566 -0.00216 -0.00799 147 3S -0.02009 0.00000 -0.01125 0.00587 0.01810 148 4S -0.00300 0.00000 -0.01161 0.00051 0.00999 149 5S -0.16137 0.00000 -0.15312 -0.05242 0.02760 150 6S 0.24383 0.00000 0.41397 0.14034 -0.09861 151 7PX 0.00671 0.00000 -0.00100 -0.00009 -0.00017 152 7PY 0.00600 0.00000 0.00087 -0.00086 -0.00001 153 7PZ 0.00000 0.00044 0.00000 0.00000 0.00000 154 8PX -0.02202 0.00000 0.00347 0.00033 0.00062 155 8PY -0.01977 0.00000 -0.00290 0.00293 0.00008 156 8PZ 0.00000 -0.00152 0.00000 0.00000 0.00000 157 9PX 0.03689 0.00000 -0.02394 -0.00298 -0.00473 158 9PY 0.04330 0.00000 0.01409 -0.01623 -0.00310 159 9PZ 0.00000 0.00983 0.00000 0.00000 0.00000 160 10PX 0.07258 -0.00001 0.10138 0.02770 0.01796 161 10PY 0.01362 0.00000 -0.03169 0.05148 0.01948 162 10PZ 0.00000 -0.03916 0.00001 0.00000 -0.00001 163 11XX 0.00227 0.00000 0.00217 -0.00151 -0.00901 164 11YY 0.00987 0.00000 0.00877 -0.00399 -0.00996 165 11ZZ 0.01532 0.00000 0.00631 -0.00355 -0.00788 166 11XY -0.00739 0.00000 0.00069 -0.00196 -0.00089 167 11XZ 0.00000 0.00042 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00172 0.00000 0.00000 0.00000 169 12XX 0.06078 0.00000 -0.05090 -0.03215 0.02343 170 12YY -0.01783 0.00000 -0.10047 -0.01517 0.02962 171 12ZZ -0.10044 0.00000 -0.08117 -0.01923 0.01697 172 12XY 0.11925 0.00000 -0.00460 0.01178 0.00495 173 12XZ 0.00001 -0.00559 0.00000 0.00000 0.00000 174 12YZ 0.00000 -0.01155 0.00000 0.00000 0.00000 171 172 173 174 V V V V Eigenvalues -- 8.73601 8.79114 75.73888 76.80118 1 1 Al 1S 0.00079 0.00138 -0.00091 0.00175 2 2S -0.00184 -0.00601 0.00195 -0.00731 3 2PX -0.00457 -0.00110 0.00300 0.00190 4 2PY -0.00157 -0.00340 -0.00040 -0.00225 5 2PZ 0.00000 0.00000 0.00000 0.00000 6 3S 0.04985 0.05853 -0.08513 0.10009 7 3PX 0.00925 -0.02282 -0.01148 -0.03461 8 3PY -0.00228 0.00783 0.00432 0.01222 9 3PZ 0.00000 0.00000 0.00000 0.00000 10 4S -0.46987 -0.39832 0.67831 -0.59562 11 4PX -0.10971 -0.23490 0.17721 -0.35474 12 4PY -0.18377 -0.38889 0.26952 -0.57449 13 4PZ -0.00001 -0.00001 0.00002 -0.00002 14 5XX -0.00261 -0.00208 0.01179 -0.01057 15 5YY -0.00182 -0.00655 0.00871 -0.01435 16 5ZZ -0.01195 -0.01679 0.01971 -0.02562 17 5XY 0.02175 0.01474 -0.02526 0.01555 18 5XZ 0.00000 0.00000 0.00000 0.00000 19 5YZ 0.00000 0.00000 0.00000 0.00000 20 2 Al 1S -0.00079 0.00138 0.00091 0.00175 21 2S 0.00184 -0.00601 -0.00195 -0.00731 22 2PX -0.00457 0.00110 0.00300 -0.00190 23 2PY -0.00158 0.00340 -0.00040 0.00225 24 2PZ 0.00000 0.00000 0.00000 0.00000 25 3S -0.04986 0.05855 0.08514 0.10013 26 3PX 0.00924 0.02282 -0.01146 0.03461 27 3PY -0.00227 -0.00782 0.00431 -0.01221 28 3PZ 0.00000 0.00000 0.00000 0.00000 29 4S 0.46989 -0.39840 -0.67837 -0.59572 30 4PX -0.10965 0.23484 0.17713 0.35464 31 4PY -0.18375 0.38896 0.26953 0.57459 32 4PZ -0.00001 0.00001 0.00002 0.00002 33 5XX 0.00261 -0.00209 -0.01179 -0.01059 34 5YY 0.00181 -0.00655 -0.00871 -0.01434 35 5ZZ 0.01195 -0.01679 -0.01971 -0.02561 36 5XY -0.02175 0.01474 0.02526 0.01555 37 5XZ 0.00000 0.00000 0.00000 0.00000 38 5YZ 0.00000 0.00000 0.00000 0.00000 39 3 Cl 1S 0.00000 -0.00038 0.00000 -0.00070 40 2S 0.00000 -0.00610 0.00000 -0.00754 41 2PX 0.00247 0.00000 -0.00358 0.00000 42 2PY 0.00133 0.00000 -0.00198 0.00000 43 2PZ 0.00000 -0.00335 0.00000 -0.00441 44 3S 0.00000 -0.01975 0.00000 -0.03286 45 3PX -0.01444 0.00000 0.02048 0.00000 46 3PY -0.00679 0.00000 0.01018 0.00000 47 3PZ 0.00000 0.01582 0.00000 0.02168 48 4S -0.00002 0.15318 0.00003 0.21626 49 4PX 0.10770 0.00000 -0.15089 0.00000 50 4PY 0.02766 0.00000 -0.04293 0.00000 51 4PZ 0.00000 0.00185 0.00000 0.00074 52 5XX 0.00000 0.00080 0.00000 0.00255 53 5YY 0.00000 -0.01513 0.00000 -0.01713 54 5ZZ 0.00000 -0.00721 0.00000 -0.00742 55 5XY 0.00000 0.00488 0.00000 0.00625 56 5XZ 0.00736 0.00000 -0.00860 0.00000 57 5YZ 0.00233 0.00000 -0.00294 0.00000 58 4 Cl 1S 0.00000 -0.00038 0.00000 -0.00070 59 2S 0.00000 -0.00610 0.00000 -0.00754 60 2PX 0.00247 0.00000 -0.00358 0.00000 61 2PY 0.00133 0.00000 -0.00198 0.00000 62 2PZ 0.00000 0.00335 0.00000 0.00441 63 3S 0.00000 -0.01975 0.00000 -0.03286 64 3PX -0.01444 0.00000 0.02049 0.00000 65 3PY -0.00679 0.00000 0.01018 0.00001 66 3PZ 0.00000 -0.01582 0.00000 -0.02168 67 4S -0.00002 0.15318 0.00003 0.21626 68 4PX 0.10770 0.00000 -0.15089 0.00000 69 4PY 0.02767 -0.00002 -0.04293 -0.00003 70 4PZ 0.00000 -0.00186 0.00000 -0.00074 71 5XX 0.00000 0.00080 0.00000 0.00255 72 5YY 0.00000 -0.01513 0.00000 -0.01713 73 5ZZ 0.00000 -0.00721 0.00000 -0.00742 74 5XY 0.00000 0.00488 0.00000 0.00625 75 5XZ -0.00736 0.00000 0.00861 0.00000 76 5YZ -0.00233 0.00000 0.00294 0.00000 77 5 Cl 1S -0.00014 -0.00024 0.00011 0.00032 78 2S -0.00069 0.00750 0.00115 0.00757 79 2PX 0.00343 0.00142 -0.00490 0.00218 80 2PY 0.00001 0.00012 -0.00010 0.00036 81 2PZ 0.00000 0.00000 0.00000 0.00000 82 3S -0.00862 -0.01143 0.00900 0.00658 83 3PX -0.01774 -0.00864 0.02574 -0.01304 84 3PY -0.00090 -0.00114 0.00143 -0.00232 85 3PZ 0.00000 0.00000 0.00000 0.00000 86 4S 0.03073 -0.10866 -0.04046 -0.15662 87 4PX 0.05283 0.04997 -0.07858 0.07410 88 4PY 0.03132 0.01747 -0.04387 0.02601 89 4PZ 0.00000 0.00001 -0.00001 0.00001 90 5XX -0.00272 0.01805 0.00387 0.01585 91 5YY 0.00519 0.02602 -0.00593 0.02595 92 5ZZ 0.00347 0.01896 -0.00371 0.01686 93 5XY 0.00434 0.00541 -0.00511 0.00648 94 5XZ 0.00000 0.00000 0.00000 0.00000 95 5YZ 0.00000 0.00000 0.00000 0.00000 96 6 Cl 1S 0.00014 -0.00024 -0.00011 0.00032 97 2S 0.00070 0.00751 -0.00115 0.00757 98 2PX 0.00343 -0.00142 -0.00490 -0.00218 99 2PY 0.00001 -0.00012 -0.00010 -0.00036 100 2PZ 0.00000 0.00000 0.00000 0.00000 101 3S 0.00862 -0.01143 -0.00901 0.00659 102 3PX -0.01773 0.00864 0.02573 0.01305 103 3PY -0.00090 0.00115 0.00143 0.00232 104 3PZ 0.00000 0.00000 0.00000 0.00000 105 4S -0.03077 -0.10869 0.04053 -0.15666 106 4PX 0.05280 -0.04998 -0.07854 -0.07412 107 4PY 0.03133 -0.01747 -0.04390 -0.02601 108 4PZ 0.00000 -0.00001 -0.00001 -0.00001 109 5XX 0.00273 0.01806 -0.00388 0.01585 110 5YY -0.00518 0.02603 0.00593 0.02595 111 5ZZ -0.00346 0.01897 0.00370 0.01687 112 5XY -0.00434 0.00541 0.00510 0.00648 113 5XZ 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00000 115 7 Br 1S 0.08196 0.08250 0.67268 -0.67704 116 2S -1.29631 -1.29638 2.40658 -2.43675 117 3S 3.96707 3.97466 -7.38674 7.48720 118 4S -1.49375 -1.53023 -14.09893 14.16395 119 5S 1.34691 1.20938 -5.54612 5.40918 120 6S 3.17440 3.58994 -5.17809 5.82148 121 7PX 0.00367 0.00414 -0.00467 0.00530 122 7PY 0.00218 0.00257 -0.00279 0.00330 123 7PZ 0.00000 0.00000 0.00000 0.00000 124 8PX -0.01238 -0.01397 0.01642 -0.01868 125 8PY -0.00735 -0.00865 0.00980 -0.01163 126 8PZ 0.00000 0.00000 0.00000 0.00000 127 9PX 0.06069 0.07087 -0.08424 0.09890 128 9PY 0.03581 0.04291 -0.05025 0.06048 129 9PZ 0.00000 0.00000 0.00000 0.00000 130 10PX -0.15899 -0.20194 0.23153 -0.29465 131 10PY -0.09348 -0.11765 0.13902 -0.17440 132 10PZ 0.00000 0.00000 0.00000 -0.00001 133 11XX -1.39577 -1.38965 10.90533 -11.00065 134 11YY -1.39454 -1.38731 10.90365 -10.99754 135 11ZZ -1.39422 -1.38818 10.90308 -10.99861 136 11XY -0.00057 -0.00137 0.00090 -0.00197 137 11XZ 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 139 12XX -1.34133 -1.42450 2.49971 -2.64283 140 12YY -1.35013 -1.44109 2.51221 -2.66572 141 12ZZ -1.35124 -1.43551 2.51517 -2.65912 142 12XY 0.00310 0.00912 -0.00584 0.01401 143 12XZ 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S -0.08195 0.08251 -0.67268 -0.67704 146 2S 1.29628 -1.29641 -2.40661 -2.43673 147 3S -3.96697 3.97476 7.38681 7.48713 148 4S 1.49372 -1.53027 14.09905 14.16382 149 5S -1.34688 1.20940 5.54617 5.40911 150 6S -3.17431 3.59005 5.17812 5.82149 151 7PX 0.00367 -0.00414 -0.00467 -0.00530 152 7PY 0.00218 -0.00257 -0.00279 -0.00330 153 7PZ 0.00000 0.00000 0.00000 0.00000 154 8PX -0.01238 0.01397 0.01642 0.01868 155 8PY -0.00735 0.00865 0.00980 0.01163 156 8PZ 0.00000 0.00000 0.00000 0.00000 157 9PX 0.06069 -0.07087 -0.08424 -0.09889 158 9PY 0.03581 -0.04292 -0.05026 -0.06049 159 9PZ 0.00000 0.00000 0.00000 0.00000 160 10PX -0.15899 0.20193 0.23153 0.29463 161 10PY -0.09349 0.11768 0.13904 0.17443 162 10PZ 0.00000 0.00000 0.00000 0.00001 163 11XX 1.39573 -1.38968 -10.90542 -11.00055 164 11YY 1.39451 -1.38735 -10.90375 -10.99745 165 11ZZ 1.39418 -1.38821 -10.90318 -10.99852 166 11XY 0.00057 -0.00137 -0.00090 -0.00197 167 11XZ 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 169 12XX 1.34130 -1.42453 -2.49973 -2.64281 170 12YY 1.35010 -1.44112 -2.51223 -2.66570 171 12ZZ 1.35121 -1.43554 -2.51519 -2.65910 172 12XY -0.00310 0.00912 0.00584 0.01402 173 12XZ 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 Density Matrix: 1 2 3 4 5 1 1 Al 1S 2.12840 2 2S -0.53037 2.18957 3 2PX -0.00153 0.00640 2.00062 4 2PY 0.00059 -0.00201 0.00382 2.00842 5 2PZ 0.00000 0.00000 0.00000 0.00000 1.99289 6 3S -0.03992 -0.09271 -0.02638 0.01100 0.00000 7 3PX 0.00274 -0.00978 -0.01022 -0.00938 0.00000 8 3PY -0.00156 0.00532 -0.00907 -0.02974 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.00836 10 4S 0.00940 -0.01578 0.00270 -0.00777 0.00000 11 4PX 0.00021 -0.00039 -0.01970 0.00386 0.00000 12 4PY 0.00065 -0.00320 0.00215 -0.00964 0.00000 13 4PZ 0.00000 0.00000 0.00000 0.00000 -0.01783 14 5XX 0.02598 -0.02859 0.00214 -0.00961 0.00000 15 5YY 0.02801 -0.03793 0.00079 0.00990 0.00000 16 5ZZ 0.02457 -0.02059 0.00985 -0.00504 0.00000 17 5XY 0.00064 -0.00347 -0.00600 -0.00626 0.00000 18 5XZ 0.00000 0.00000 0.00000 0.00000 0.00466 19 5YZ 0.00000 0.00000 0.00000 0.00000 -0.00094 20 2 Al 1S -0.00004 0.00008 0.00022 -0.00010 0.00000 21 2S 0.00008 -0.00030 -0.00104 0.00048 0.00000 22 2PX -0.00022 0.00104 -0.00435 0.00197 0.00000 23 2PY 0.00010 -0.00048 0.00197 -0.00006 0.00000 24 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00365 25 3S -0.00114 0.00373 -0.00017 -0.00016 0.00000 26 3PX -0.00046 0.00224 0.00858 -0.00395 0.00000 27 3PY 0.00011 -0.00062 -0.00404 -0.00022 0.00000 28 3PZ 0.00000 0.00000 0.00000 0.00000 0.01052 29 4S -0.00053 0.00148 -0.01087 0.00497 0.00000 30 4PX -0.00115 0.00259 -0.00285 0.00162 0.00000 31 4PY -0.00008 0.00067 0.00214 -0.00056 0.00000 32 4PZ 0.00000 0.00000 0.00000 0.00000 0.00008 33 5XX 0.00101 -0.00412 0.00687 -0.00383 0.00000 34 5YY 0.00026 -0.00139 0.00048 0.00118 0.00000 35 5ZZ -0.00174 0.00759 -0.00635 0.00247 0.00000 36 5XY -0.00039 0.00143 -0.00461 0.00035 0.00000 37 5XZ 0.00000 0.00000 0.00000 0.00000 0.00283 38 5YZ 0.00000 0.00000 0.00000 0.00000 -0.00112 39 3 Cl 1S 0.00012 -0.00064 0.00183 -0.00068 0.00244 40 2S -0.00087 0.00389 -0.00835 0.00308 -0.01116 41 2PX -0.00498 0.02313 -0.01702 0.00987 -0.02432 42 2PY 0.00202 -0.00938 0.00981 0.00403 0.00965 43 2PZ -0.00447 0.02141 -0.02248 0.00892 -0.01816 44 3S -0.00011 0.00102 0.01457 -0.00525 0.01970 45 3PX 0.01253 -0.05953 0.04394 -0.02522 0.06214 46 3PY -0.00510 0.02410 -0.02507 -0.00985 -0.02468 47 3PZ 0.01117 -0.05219 0.05690 -0.02256 0.04662 48 4S 0.00318 -0.00501 0.00551 -0.00120 0.00993 49 4PX 0.00589 -0.02401 0.01986 -0.01116 0.02872 50 4PY -0.00237 0.00990 -0.01140 -0.00561 -0.01126 51 4PZ 0.00669 -0.02451 0.02760 -0.01081 0.02644 52 5XX -0.00027 -0.00009 -0.00210 -0.00054 0.00118 53 5YY -0.00086 0.00289 -0.00119 0.00175 -0.00102 54 5ZZ 0.00034 -0.00293 0.00438 -0.00170 0.00082 55 5XY -0.00028 0.00141 -0.00061 -0.00130 -0.00118 56 5XZ 0.00123 -0.00632 0.00205 -0.00183 0.00348 57 5YZ -0.00047 0.00242 -0.00180 -0.00168 -0.00138 58 4 Cl 1S 0.00012 -0.00064 0.00183 -0.00068 -0.00244 59 2S -0.00087 0.00389 -0.00835 0.00308 0.01116 60 2PX -0.00498 0.02312 -0.01702 0.00987 0.02431 61 2PY 0.00202 -0.00938 0.00981 0.00403 -0.00965 62 2PZ 0.00447 -0.02141 0.02248 -0.00892 -0.01816 63 3S -0.00011 0.00103 0.01456 -0.00524 -0.01970 64 3PX 0.01253 -0.05951 0.04393 -0.02522 -0.06213 65 3PY -0.00510 0.02409 -0.02506 -0.00985 0.02468 66 3PZ -0.01117 0.05218 -0.05689 0.02256 0.04662 67 4S 0.00318 -0.00501 0.00551 -0.00120 -0.00993 68 4PX 0.00589 -0.02401 0.01986 -0.01116 -0.02871 69 4PY -0.00237 0.00990 -0.01140 -0.00560 0.01126 70 4PZ -0.00669 0.02450 -0.02760 0.01081 0.02644 71 5XX -0.00027 -0.00009 -0.00210 -0.00054 -0.00117 72 5YY -0.00085 0.00289 -0.00119 0.00175 0.00102 73 5ZZ 0.00034 -0.00293 0.00438 -0.00170 -0.00082 74 5XY -0.00028 0.00141 -0.00061 -0.00130 0.00118 75 5XZ -0.00123 0.00632 -0.00205 0.00183 0.00348 76 5YZ 0.00047 -0.00242 0.00180 0.00168 -0.00138 77 5 Cl 1S 0.00047 -0.00229 -0.00043 0.00485 0.00000 78 2S -0.00217 0.01046 0.00195 -0.02149 0.00000 79 2PX 0.00126 -0.00690 0.01709 0.00678 0.00000 80 2PY -0.01138 0.05344 0.00563 -0.05393 0.00000 81 2PZ 0.00000 0.00000 0.00000 0.00000 0.02042 82 3S 0.00338 -0.01503 -0.00374 0.04372 0.00000 83 3PX -0.00309 0.01855 -0.04351 -0.01713 0.00000 84 3PY 0.02845 -0.13250 -0.01430 0.13663 -0.00001 85 3PZ 0.00000 0.00000 0.00000 -0.00001 -0.05200 86 4S 0.00058 0.00554 -0.00021 0.00432 0.00000 87 4PX -0.00137 0.00773 -0.02033 -0.00850 0.00000 88 4PY 0.01282 -0.05022 -0.00689 0.05939 0.00000 89 4PZ 0.00000 0.00000 0.00000 0.00000 -0.02633 90 5XX -0.00101 0.00390 0.00078 -0.00261 0.00000 91 5YY 0.00142 -0.00971 -0.00138 0.00522 0.00000 92 5ZZ -0.00107 0.00419 0.00042 -0.00269 0.00000 93 5XY -0.00027 0.00164 -0.00310 -0.00157 0.00000 94 5XZ 0.00000 0.00000 0.00000 0.00000 0.00051 95 5YZ 0.00000 0.00000 0.00000 0.00000 -0.00308 96 6 Cl 1S 0.00002 -0.00019 0.00016 0.00003 0.00000 97 2S -0.00006 0.00077 -0.00062 -0.00021 0.00000 98 2PX 0.00015 -0.00045 0.00085 -0.00114 0.00000 99 2PY 0.00022 -0.00151 0.00008 0.00067 0.00000 100 2PZ 0.00000 0.00000 0.00000 0.00000 0.00269 101 3S 0.00029 -0.00155 0.00156 0.00030 0.00000 102 3PX -0.00032 0.00195 -0.00215 0.00295 0.00000 103 3PY -0.00062 0.00394 -0.00031 -0.00170 0.00000 104 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00695 105 4S -0.00027 -0.00023 0.00169 0.00002 0.00000 106 4PX -0.00011 0.00066 -0.00210 0.00244 0.00000 107 4PY -0.00006 0.00145 -0.00095 -0.00109 0.00000 108 4PZ 0.00000 0.00000 0.00000 0.00000 -0.00399 109 5XX 0.00008 -0.00009 0.00022 -0.00019 0.00000 110 5YY 0.00007 -0.00015 0.00005 0.00004 0.00000 111 5ZZ 0.00007 0.00007 -0.00002 -0.00009 0.00000 112 5XY 0.00001 -0.00012 0.00008 -0.00005 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00010 114 5YZ 0.00000 0.00000 0.00000 0.00000 -0.00013 115 7 Br 1S -0.00016 0.00117 0.00198 0.00157 0.00000 116 2S 0.00146 -0.00798 -0.01317 -0.01042 0.00000 117 3S -0.00216 0.00983 0.01564 0.01232 0.00000 118 4S -0.00313 0.01554 0.02741 0.02194 0.00000 119 5S 0.00150 -0.01460 -0.03058 -0.02381 0.00000 120 6S -0.00060 0.01528 0.01073 0.00630 0.00000 121 7PX -0.00350 0.01681 0.01020 0.01400 0.00000 122 7PY -0.00271 0.01346 0.01349 0.00472 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 -0.00771 124 8PX 0.01100 -0.05356 -0.03000 -0.04202 0.00000 125 8PY 0.00871 -0.04025 -0.04034 -0.01345 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.02365 127 9PX -0.01956 0.09592 0.05454 0.07631 0.00000 128 9PY -0.01550 0.07075 0.07349 0.02470 0.00000 129 9PZ 0.00000 0.00000 0.00000 0.00000 -0.04282 130 10PX -0.01485 0.06523 0.03812 0.05484 0.00000 131 10PY -0.01194 0.04810 0.05248 0.01456 0.00000 132 10PZ 0.00000 0.00000 0.00000 0.00000 -0.03468 133 11XX 0.00084 -0.00250 -0.00750 -0.00467 0.00000 134 11YY 0.00115 -0.00451 -0.00658 -0.00646 0.00000 135 11ZZ 0.00180 -0.00663 -0.00730 -0.00570 0.00000 136 11XY -0.00090 0.00361 0.00040 -0.00001 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 -0.00083 138 11YZ 0.00000 0.00000 0.00000 0.00000 -0.00059 139 12XX 0.00189 -0.01107 -0.00653 -0.00949 0.00000 140 12YY 0.00107 -0.00669 -0.00899 -0.00126 0.00000 141 12ZZ -0.00046 0.00057 -0.00351 -0.00257 0.00000 142 12XY 0.00221 -0.01076 -0.00539 -0.00229 0.00000 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00401 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00302 145 8 Br 1S 0.00003 -0.00010 0.00009 -0.00001 0.00000 146 2S 0.00007 0.00020 -0.00020 -0.00012 0.00000 147 3S -0.00038 0.00044 -0.00033 0.00038 0.00000 148 4S -0.00021 0.00018 -0.00002 0.00060 0.00000 149 5S 0.00101 -0.00310 0.00086 -0.00025 0.00000 150 6S -0.00309 0.00581 0.00058 -0.00234 0.00000 151 7PX 0.00003 -0.00086 -0.00036 -0.00022 0.00000 152 7PY 0.00013 -0.00037 0.00033 -0.00007 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 -0.00118 154 8PX -0.00011 0.00119 0.00149 0.00063 0.00000 155 8PY -0.00034 0.00194 -0.00095 0.00023 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00350 157 9PX 0.00032 -0.00180 -0.00241 -0.00115 0.00000 158 9PY 0.00066 -0.00397 0.00173 -0.00040 0.00000 159 9PZ 0.00000 0.00000 0.00000 0.00000 -0.00643 160 10PX -0.00020 -0.00064 -0.00251 -0.00179 0.00000 161 10PY 0.00017 -0.00223 0.00273 -0.00086 0.00000 162 10PZ 0.00000 0.00000 0.00000 0.00000 -0.00568 163 11XX 0.00033 -0.00038 0.00023 -0.00015 0.00000 164 11YY 0.00032 0.00012 0.00008 -0.00013 0.00000 165 11ZZ 0.00031 -0.00030 0.00014 -0.00019 0.00000 166 11XY 0.00000 -0.00005 0.00013 0.00003 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 -0.00014 168 11YZ 0.00000 0.00000 0.00000 0.00000 -0.00003 169 12XX 0.00075 -0.00144 0.00049 -0.00011 0.00000 170 12YY 0.00076 -0.00148 0.00104 0.00012 0.00000 171 12ZZ 0.00081 -0.00132 0.00059 0.00025 0.00000 172 12XY -0.00003 0.00001 -0.00006 -0.00016 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00009 174 12YZ 0.00000 0.00000 0.00000 0.00000 -0.00019 6 7 8 9 10 6 3S 0.61154 7 3PX 0.03578 0.19531 8 3PY -0.02573 0.02362 0.24758 9 3PZ 0.00000 0.00001 -0.00001 0.13324 10 4S -0.02140 -0.00960 0.01488 0.00000 0.03776 11 4PX 0.01478 0.01747 -0.00584 0.00000 -0.02823 12 4PY 0.00058 -0.00338 -0.00425 0.00000 0.01806 13 4PZ 0.00000 0.00000 0.00000 0.01381 0.00000 14 5XX -0.01609 -0.00293 0.02929 0.00000 -0.00547 15 5YY 0.00566 0.01164 -0.03511 0.00000 0.00784 16 5ZZ -0.04377 -0.02319 0.01287 0.00000 0.00050 17 5XY 0.00656 0.02690 0.01756 0.00000 0.01051 18 5XZ 0.00001 0.00000 0.00000 -0.02213 0.00000 19 5YZ 0.00000 0.00000 0.00000 0.00725 0.00000 20 2 Al 1S -0.00114 0.00046 -0.00011 0.00000 -0.00053 21 2S 0.00373 -0.00224 0.00062 0.00000 0.00148 22 2PX 0.00017 0.00858 -0.00404 0.00000 0.01087 23 2PY 0.00016 -0.00395 -0.00022 0.00000 -0.00497 24 2PZ 0.00000 0.00000 0.00000 0.01052 0.00000 25 3S -0.01688 -0.00179 0.00085 0.00000 0.01725 26 3PX 0.00179 -0.02578 0.01098 0.00000 -0.02775 27 3PY -0.00085 0.01098 -0.00186 0.00000 0.01062 28 3PZ 0.00000 0.00000 0.00000 -0.02638 0.00000 29 4S 0.01725 0.02775 -0.01062 0.00000 -0.02569 30 4PX 0.00770 0.00973 0.00051 0.00000 -0.02319 31 4PY -0.00598 -0.00319 0.01072 0.00000 0.00932 32 4PZ 0.00000 0.00000 0.00000 -0.00267 0.00000 33 5XX 0.01008 -0.01589 0.00918 0.00000 0.00107 34 5YY 0.00372 -0.00073 -0.00292 0.00000 -0.00306 35 5ZZ -0.01557 0.01395 -0.00520 0.00000 -0.00169 36 5XY -0.00348 0.01113 -0.00065 0.00000 -0.00183 37 5XZ 0.00000 0.00000 0.00000 -0.00705 0.00000 38 5YZ 0.00000 0.00000 0.00000 0.00284 0.00000 39 3 Cl 1S -0.00170 -0.00242 0.00083 -0.00371 -0.00505 40 2S 0.00542 0.01042 -0.00351 0.01648 0.01960 41 2PX -0.05567 0.04401 -0.02544 0.05939 0.03150 42 2PY 0.02296 -0.02606 -0.01171 -0.02354 -0.01238 43 2PZ -0.04549 0.05831 -0.02258 0.04226 0.00514 44 3S -0.02748 -0.02209 0.00754 -0.03082 -0.01961 45 3PX 0.13490 -0.11063 0.06465 -0.15284 -0.00377 46 3PY -0.05558 0.06596 0.03036 0.06064 0.00313 47 3PZ 0.12784 -0.14927 0.05791 -0.11059 -0.01651 48 4S -0.01586 0.01271 -0.00646 -0.00173 -0.01176 49 4PX 0.05092 -0.04554 0.02439 -0.05722 -0.00980 50 4PY -0.02155 0.02523 0.01014 0.02244 0.00368 51 4PZ 0.04762 -0.05547 0.02116 -0.04952 -0.00731 52 5XX 0.00160 0.00398 0.00112 -0.00184 0.00032 53 5YY -0.00510 0.00207 -0.00326 0.00179 0.00066 54 5ZZ 0.00800 -0.01040 0.00394 -0.00234 -0.00115 55 5XY -0.00328 0.00113 0.00258 0.00197 0.00031 56 5XZ 0.01504 -0.00518 0.00396 -0.00787 0.00034 57 5YZ -0.00586 0.00408 0.00324 0.00314 0.00003 58 4 Cl 1S -0.00170 -0.00242 0.00082 0.00371 -0.00505 59 2S 0.00543 0.01041 -0.00351 -0.01647 0.01960 60 2PX -0.05566 0.04400 -0.02543 -0.05939 0.03150 61 2PY 0.02296 -0.02606 -0.01171 0.02354 -0.01238 62 2PZ 0.04548 -0.05830 0.02258 0.04226 -0.00514 63 3S -0.02748 -0.02209 0.00754 0.03081 -0.01960 64 3PX 0.13486 -0.11062 0.06464 0.15282 -0.00376 65 3PY -0.05557 0.06595 0.03035 -0.06063 0.00313 66 3PZ -0.12781 0.14925 -0.05790 -0.11059 0.01651 67 4S -0.01585 0.01270 -0.00645 0.00173 -0.01175 68 4PX 0.05091 -0.04554 0.02439 0.05721 -0.00979 69 4PY -0.02155 0.02523 0.01014 -0.02244 0.00368 70 4PZ -0.04761 0.05547 -0.02116 -0.04953 0.00731 71 5XX 0.00160 0.00398 0.00112 0.00184 0.00032 72 5YY -0.00510 0.00207 -0.00326 -0.00179 0.00066 73 5ZZ 0.00800 -0.01040 0.00394 0.00234 -0.00115 74 5XY -0.00328 0.00113 0.00258 -0.00197 0.00031 75 5XZ -0.01504 0.00518 -0.00396 -0.00787 -0.00034 76 5YZ 0.00586 -0.00408 -0.00324 0.00314 -0.00003 77 5 Cl 1S 0.00137 0.00051 -0.00780 0.00000 -0.00882 78 2S -0.00527 -0.00248 0.03332 0.00000 0.03376 79 2PX 0.00987 -0.04394 -0.01904 0.00000 0.01834 80 2PY -0.13928 -0.01214 0.14516 -0.00001 0.00927 81 2PZ 0.00000 0.00000 -0.00001 -0.05321 0.00000 82 3S -0.00632 0.00511 -0.06646 0.00000 -0.03075 83 3PX -0.01686 0.11108 0.04934 0.00000 -0.08259 84 3PY 0.37018 0.03108 -0.35840 0.00002 -0.01303 85 3PZ -0.00001 0.00000 0.00002 0.13459 0.00000 86 4S -0.05389 -0.00060 0.03884 0.00000 -0.00813 87 4PX -0.00452 0.04726 0.01862 0.00000 -0.04038 88 4PY 0.12362 0.01257 -0.12371 0.00001 -0.00408 89 4PZ 0.00000 0.00000 0.00001 0.06441 0.00000 90 5XX -0.00897 -0.00180 0.00626 0.00000 0.00083 91 5YY 0.03075 0.00242 -0.01995 0.00000 -0.00219 92 5ZZ -0.00952 -0.00096 0.00656 0.00000 0.00040 93 5XY -0.00320 0.00703 0.00468 0.00000 -0.00284 94 5XZ 0.00000 0.00000 0.00000 -0.00113 0.00000 95 5YZ 0.00000 0.00000 0.00000 0.00692 0.00000 96 6 Cl 1S -0.00008 -0.00052 -0.00010 0.00000 0.00235 97 2S 0.00045 0.00230 0.00063 0.00000 -0.00978 98 2PX 0.00256 -0.00402 0.00433 0.00000 0.00935 99 2PY 0.00084 0.00072 -0.00256 0.00000 0.00755 100 2PZ 0.00000 0.00000 0.00000 -0.00762 0.00000 101 3S 0.00086 -0.00329 -0.00114 0.00000 0.00707 102 3PX -0.00140 0.01148 -0.01157 0.00000 -0.05360 103 3PY -0.00269 -0.00241 0.00741 0.00000 -0.01741 104 3PZ 0.00000 0.00000 0.00000 0.01849 0.00000 105 4S 0.00069 -0.00980 -0.00247 0.00000 -0.00092 106 4PX -0.00159 0.00552 -0.00636 0.00000 -0.02462 107 4PY -0.00173 0.00344 0.00219 0.00000 -0.00574 108 4PZ 0.00000 0.00000 0.00000 0.01222 0.00000 109 5XX 0.00018 -0.00014 0.00044 0.00000 -0.00072 110 5YY -0.00032 0.00055 -0.00028 0.00000 0.00165 111 5ZZ -0.00030 0.00057 0.00006 0.00000 -0.00040 112 5XY 0.00029 -0.00047 0.00019 0.00000 0.00206 113 5XZ 0.00000 0.00000 0.00000 -0.00024 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00016 0.00000 115 7 Br 1S 0.00400 -0.00377 -0.00235 0.00000 -0.03506 116 2S -0.01907 0.02340 0.01553 0.00000 0.16662 117 3S 0.01225 -0.02583 -0.01849 0.00000 -0.11029 118 4S 0.02448 -0.04238 -0.03073 0.00000 -0.16327 119 5S 0.00723 0.05654 0.04589 0.00000 -0.00925 120 6S -0.09118 -0.07287 -0.06008 0.00000 -0.02993 121 7PX -0.03543 -0.02397 -0.03490 0.00000 0.02448 122 7PY -0.02508 -0.03246 -0.01220 0.00000 0.00601 123 7PZ 0.00000 0.00000 0.00000 0.01955 0.00000 124 8PX 0.12789 0.07688 0.10907 0.00001 0.01281 125 8PY 0.11261 0.10018 0.03547 0.00000 -0.03203 126 8PZ 0.00000 0.00000 0.00000 -0.06058 0.00000 127 9PX -0.23211 -0.13876 -0.19646 -0.00001 -0.05839 128 9PY -0.21237 -0.18020 -0.06309 0.00000 0.06365 129 9PZ 0.00000 -0.00001 0.00000 0.10928 0.00000 130 10PX -0.14405 -0.08020 -0.12374 -0.00001 -0.03975 131 10PY -0.13489 -0.11236 -0.02897 0.00000 0.05219 132 10PZ 0.00000 -0.00001 0.00000 0.08491 0.00000 133 11XX -0.01528 0.00977 0.00052 0.00000 0.05935 134 11YY -0.01209 0.00893 0.01163 0.00000 0.07803 135 11ZZ 0.00491 0.01783 0.01298 0.00000 0.06825 136 11XY -0.02037 -0.01023 -0.00669 0.00000 -0.00402 137 11XZ 0.00000 0.00000 0.00000 0.00376 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00310 0.00000 139 12XX 0.02414 0.01838 0.02264 0.00000 0.02597 140 12YY 0.01691 0.02093 0.00849 0.00000 0.01879 141 12ZZ -0.00239 0.01138 0.00915 0.00000 0.02273 142 12XY 0.02666 0.01014 0.00596 0.00000 -0.00155 143 12XZ 0.00000 0.00000 0.00000 -0.00661 0.00000 144 12YZ 0.00000 0.00000 0.00000 -0.00492 0.00000 145 8 Br 1S 0.00026 -0.00104 0.00025 0.00000 0.00265 146 2S -0.00124 0.00477 -0.00097 0.00000 -0.01166 147 3S 0.00072 -0.00283 0.00027 0.00000 0.00625 148 4S 0.00118 -0.00342 -0.00064 0.00000 0.00867 149 5S 0.00199 0.00219 -0.00309 0.00000 0.00906 150 6S -0.00477 -0.01609 0.01917 0.00000 -0.00501 151 7PX -0.00266 0.00167 0.00052 0.00000 0.01401 152 7PY 0.00252 -0.00160 0.00018 0.00000 -0.00197 153 7PZ 0.00000 0.00000 0.00000 0.00376 0.00000 154 8PX 0.00131 -0.00743 -0.00128 0.00000 0.00271 155 8PY -0.00252 0.00381 -0.00077 0.00000 -0.02324 156 8PZ 0.00000 0.00000 0.00000 -0.00987 0.00000 157 9PX 0.00072 0.01453 0.00220 0.00000 -0.02349 158 9PY 0.00247 -0.00668 0.00144 0.00000 0.05399 159 9PZ 0.00000 0.00000 0.00000 0.01726 0.00000 160 10PX -0.00065 0.00702 0.00500 0.00000 -0.01955 161 10PY 0.00271 -0.00914 0.00270 0.00000 0.03900 162 10PZ 0.00000 0.00000 0.00000 0.01703 0.00000 163 11XX -0.00103 0.00168 -0.00037 0.00000 0.00149 164 11YY 0.00079 0.00203 -0.00041 0.00000 -0.01230 165 11ZZ -0.00115 0.00212 -0.00038 0.00000 -0.00217 166 11XY -0.00049 -0.00048 -0.00012 0.00000 0.00197 167 11XZ 0.00000 0.00000 0.00000 0.00041 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00011 0.00000 169 12XX 0.00036 0.00298 -0.00257 0.00000 -0.00162 170 12YY 0.00089 0.00163 -0.00269 0.00000 0.00284 171 12ZZ 0.00021 0.00342 -0.00299 0.00000 -0.00027 172 12XY -0.00053 0.00026 0.00017 0.00000 0.00197 173 12XZ 0.00000 0.00000 0.00000 0.00021 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00069 0.00000 11 12 13 14 15 11 4PX 0.04390 12 4PY -0.01067 0.02400 13 4PZ 0.00000 0.00000 0.02010 14 5XX 0.00735 -0.01171 0.00000 0.01413 15 5YY -0.01169 0.01459 0.00000 -0.01230 0.01904 16 5ZZ 0.00283 -0.00291 0.00000 0.00273 -0.00702 17 5XY -0.01659 -0.00204 0.00000 0.00059 0.00141 18 5XZ 0.00000 0.00000 0.01161 0.00000 0.00000 19 5YZ 0.00000 0.00000 -0.00393 0.00000 0.00000 20 2 Al 1S 0.00115 0.00008 0.00000 0.00101 0.00026 21 2S -0.00259 -0.00067 0.00000 -0.00412 -0.00139 22 2PX -0.00285 0.00214 0.00000 -0.00687 -0.00048 23 2PY 0.00162 -0.00056 0.00000 0.00383 -0.00118 24 2PZ 0.00000 0.00000 0.00008 0.00000 0.00000 25 3S -0.00770 0.00598 0.00000 0.01008 0.00372 26 3PX 0.00973 -0.00319 0.00000 0.01589 0.00073 27 3PY 0.00051 0.01072 0.00000 -0.00918 0.00293 28 3PZ 0.00000 0.00000 -0.00267 0.00000 0.00000 29 4S 0.02319 -0.00932 0.00000 0.00108 -0.00306 30 4PX 0.01783 -0.00738 0.00000 -0.00149 -0.00270 31 4PY -0.00738 0.00600 0.00000 -0.00148 0.00323 32 4PZ 0.00000 0.00000 0.00211 0.00000 0.00000 33 5XX 0.00149 0.00148 0.00000 0.00293 -0.00205 34 5YY 0.00270 -0.00323 0.00000 -0.00205 -0.00299 35 5ZZ -0.00214 0.00051 0.00000 0.00021 0.00412 36 5XY 0.00301 0.00206 0.00000 -0.00554 0.00225 37 5XZ 0.00000 0.00000 -0.00273 0.00000 0.00000 38 5YZ 0.00000 0.00000 0.00097 0.00000 0.00000 39 3 Cl 1S 0.00304 -0.00128 0.00273 0.00035 -0.00130 40 2S -0.01276 0.00531 -0.01093 -0.00127 0.00580 41 2PX -0.02259 0.00528 -0.01034 0.00381 0.01031 42 2PY 0.00385 -0.01283 0.00387 0.00833 -0.01455 43 2PZ -0.00566 0.00271 -0.01304 -0.01570 0.00837 44 3S 0.01823 -0.00669 0.01452 0.00214 -0.01139 45 3PX 0.03045 0.00424 0.01409 -0.01334 -0.02694 46 3PY 0.00753 0.04113 -0.00510 -0.02037 0.03752 47 3PZ 0.01110 -0.00764 0.03993 0.03518 -0.02400 48 4S 0.01656 -0.00712 0.01452 0.00146 -0.00632 49 4PX 0.02019 -0.00141 0.01000 -0.00491 -0.01286 50 4PY 0.00062 0.01981 -0.00412 -0.01097 0.01858 51 4PZ 0.00803 -0.00422 0.01967 0.01540 -0.01066 52 5XX -0.00031 0.00026 -0.00088 -0.00059 0.00042 53 5YY -0.00087 0.00037 -0.00076 -0.00104 0.00092 54 5ZZ 0.00061 -0.00042 0.00154 0.00231 -0.00156 55 5XY -0.00037 0.00019 -0.00009 0.00002 -0.00003 56 5XZ 0.00055 0.00051 0.00028 -0.00096 -0.00116 57 5YZ 0.00054 0.00167 -0.00014 -0.00037 0.00124 58 4 Cl 1S 0.00304 -0.00128 -0.00273 0.00035 -0.00130 59 2S -0.01276 0.00531 0.01093 -0.00127 0.00580 60 2PX -0.02259 0.00528 0.01034 0.00381 0.01031 61 2PY 0.00385 -0.01283 -0.00387 0.00833 -0.01455 62 2PZ 0.00566 -0.00271 -0.01304 0.01570 -0.00837 63 3S 0.01823 -0.00669 -0.01452 0.00214 -0.01138 64 3PX 0.03045 0.00424 -0.01409 -0.01334 -0.02693 65 3PY 0.00753 0.04113 0.00510 -0.02037 0.03751 66 3PZ -0.01109 0.00764 0.03993 -0.03517 0.02400 67 4S 0.01655 -0.00712 -0.01452 0.00146 -0.00632 68 4PX 0.02019 -0.00141 -0.01000 -0.00490 -0.01286 69 4PY 0.00062 0.01981 0.00412 -0.01097 0.01858 70 4PZ -0.00803 0.00422 0.01967 -0.01540 0.01066 71 5XX -0.00031 0.00026 0.00088 -0.00059 0.00042 72 5YY -0.00086 0.00037 0.00076 -0.00104 0.00092 73 5ZZ 0.00061 -0.00042 -0.00154 0.00231 -0.00156 74 5XY -0.00037 0.00019 0.00009 0.00002 -0.00003 75 5XZ -0.00055 -0.00051 0.00028 0.00096 0.00116 76 5YZ -0.00054 -0.00167 -0.00014 0.00037 -0.00124 77 5 Cl 1S 0.00178 0.00558 0.00000 -0.00245 0.00471 78 2S -0.00682 -0.02045 0.00000 0.01043 -0.02059 79 2PX -0.04123 -0.00257 0.00000 -0.00542 0.01036 80 2PY -0.00289 -0.01509 0.00000 0.02577 -0.03954 81 2PZ 0.00000 0.00000 -0.02375 0.00000 0.00000 82 3S 0.00221 0.01914 0.00000 -0.02030 0.03858 83 3PX 0.14971 0.00447 0.00000 0.01412 -0.02471 84 3PY 0.00939 0.04161 0.00000 -0.06781 0.07939 85 3PZ 0.00000 0.00000 0.07940 0.00000 -0.00001 86 4S -0.00064 0.01350 0.00000 -0.00220 0.00963 87 4PX 0.07262 0.00423 0.00000 0.00544 -0.01094 88 4PY 0.00432 0.01794 0.00000 -0.02491 0.02979 89 4PZ 0.00000 0.00000 0.03896 0.00000 0.00000 90 5XX -0.00098 -0.00116 0.00000 0.00156 -0.00194 91 5YY 0.00148 0.00136 0.00000 -0.00341 0.00378 92 5ZZ 0.00000 -0.00081 0.00000 0.00136 -0.00192 93 5XY 0.00510 -0.00055 0.00000 0.00106 -0.00128 94 5XZ 0.00000 0.00000 -0.00002 0.00000 0.00000 95 5YZ 0.00000 0.00000 0.00275 0.00000 0.00000 96 6 Cl 1S -0.00024 0.00203 0.00000 0.00011 -0.00030 97 2S 0.00161 -0.00753 0.00000 -0.00053 0.00134 98 2PX -0.00677 0.00101 0.00000 0.00191 0.00067 99 2PY -0.00031 0.00147 0.00000 -0.00220 -0.00189 100 2PZ 0.00000 0.00000 0.00016 0.00000 0.00000 101 3S -0.00198 0.00520 0.00000 0.00057 -0.00259 102 3PX 0.03319 -0.00764 0.00000 -0.00527 -0.00246 103 3PY 0.00033 -0.00304 0.00000 0.00609 0.00517 104 3PZ 0.00000 0.00000 -0.00200 0.00000 0.00000 105 4S -0.00069 -0.00208 0.00000 0.00346 -0.00334 106 4PX 0.01484 -0.00374 0.00000 -0.00281 -0.00165 107 4PY 0.00030 0.00097 0.00000 0.00127 0.00355 108 4PZ 0.00000 0.00000 -0.00144 0.00000 0.00000 109 5XX 0.00025 0.00002 0.00000 -0.00004 0.00016 110 5YY -0.00031 0.00061 0.00000 -0.00018 -0.00002 111 5ZZ -0.00001 -0.00006 0.00000 -0.00003 0.00024 112 5XY -0.00121 0.00000 0.00000 0.00011 -0.00020 113 5XZ 0.00000 0.00000 -0.00001 0.00000 0.00000 114 5YZ 0.00000 0.00000 -0.00002 0.00000 0.00000 115 7 Br 1S -0.01462 -0.02355 0.00000 -0.00115 -0.00026 116 2S 0.07074 0.11313 0.00000 0.00712 0.00137 117 3S -0.04915 -0.07706 0.00000 -0.00774 -0.00108 118 4S -0.07327 -0.11490 0.00000 -0.01377 -0.00187 119 5S 0.00825 0.00420 0.00000 0.01120 0.00122 120 6S -0.02463 -0.02568 0.00000 0.00631 0.00106 121 7PX 0.00202 0.00873 0.00000 -0.00216 -0.00946 122 7PY 0.00311 0.00868 0.00000 -0.01353 0.00548 123 7PZ 0.00000 0.00000 0.00519 0.00000 0.00000 124 8PX -0.03535 0.01705 0.00000 -0.00738 0.01755 125 8PY 0.02908 -0.04422 0.00000 0.02933 -0.02639 126 8PZ 0.00000 0.00000 -0.04164 0.00000 0.00000 127 9PX 0.07637 -0.04849 0.00000 0.01843 -0.02812 128 9PY -0.06864 0.08768 0.00000 -0.04882 0.05114 129 9PZ 0.00000 0.00000 0.08621 0.00000 0.00000 130 10PX 0.06174 -0.03555 0.00000 0.01652 -0.02418 131 10PY -0.05069 0.07267 0.00000 -0.03906 0.04104 132 10PZ 0.00000 0.00000 0.06943 0.00000 0.00000 133 11XX 0.03683 0.04158 0.00000 0.00503 0.00022 134 11YY 0.02258 0.05347 0.00000 0.00271 0.00167 135 11ZZ 0.02970 0.04628 0.00000 0.00304 -0.00010 136 11XY 0.00096 0.00096 0.00000 0.00069 0.00195 137 11XZ 0.00000 0.00000 0.00312 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00334 0.00000 0.00000 139 12XX 0.00861 0.02141 0.00000 -0.00039 0.00216 140 12YY 0.01747 0.01342 0.00000 0.00317 -0.00194 141 12ZZ 0.01239 0.01730 0.00000 0.00089 0.00016 142 12XY 0.00186 -0.00182 0.00000 0.00130 -0.00114 143 12XZ 0.00000 0.00000 -0.00360 0.00000 0.00000 144 12YZ 0.00000 0.00000 -0.00324 0.00000 0.00000 145 8 Br 1S -0.00495 -0.00845 0.00000 0.00007 -0.00013 146 2S 0.02332 0.04096 0.00000 -0.00046 0.00061 147 3S -0.01500 -0.02836 0.00000 0.00050 -0.00036 148 4S -0.02186 -0.04295 0.00000 0.00108 -0.00053 149 5S -0.00392 0.00111 0.00000 -0.00090 -0.00077 150 6S -0.00189 0.00081 0.00000 -0.00115 0.00158 151 7PX -0.00693 -0.00142 0.00000 -0.00151 -0.00029 152 7PY 0.00141 -0.00151 0.00000 -0.00020 -0.00031 153 7PZ 0.00000 0.00000 0.00065 0.00000 0.00000 154 8PX -0.00359 0.00602 0.00000 0.00578 0.00058 155 8PY 0.00796 -0.00623 0.00000 0.00043 0.00088 156 8PZ 0.00000 0.00000 0.00037 0.00000 0.00000 157 9PX 0.01668 -0.01189 0.00000 -0.01098 -0.00107 158 9PY -0.01956 0.01564 0.00000 -0.00068 -0.00149 159 9PZ 0.00000 0.00000 -0.00166 0.00000 0.00000 160 10PX 0.01252 -0.00845 0.00000 -0.00910 0.00002 161 10PY -0.01390 0.01162 0.00000 0.00096 -0.00162 162 10PZ 0.00000 0.00000 -0.00173 0.00000 0.00000 163 11XX 0.00692 0.01847 0.00000 -0.00028 0.00016 164 11YY 0.01398 0.01640 0.00000 -0.00017 0.00018 165 11ZZ 0.00774 0.01671 0.00000 -0.00021 0.00038 166 11XY -0.00156 -0.00012 0.00000 0.00026 0.00006 167 11XZ 0.00000 0.00000 -0.00013 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00063 0.00000 0.00000 169 12XX 0.00349 0.00429 0.00000 0.00007 -0.00014 170 12YY 0.00189 0.00601 0.00000 0.00036 -0.00033 171 12ZZ 0.00270 0.00498 0.00000 0.00012 -0.00003 172 12XY -0.00056 0.00071 0.00000 -0.00003 0.00015 173 12XZ 0.00000 0.00000 0.00004 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00001 0.00000 0.00000 16 17 18 19 20 16 5ZZ 0.01159 17 5XY -0.00409 0.01847 18 5XZ 0.00000 0.00000 0.01513 19 5YZ 0.00000 0.00000 -0.00221 0.01162 20 2 Al 1S -0.00174 -0.00039 0.00000 0.00000 2.12840 21 2S 0.00759 0.00143 0.00000 0.00000 -0.53037 22 2PX 0.00635 0.00461 0.00000 0.00000 0.00153 23 2PY -0.00247 -0.00035 0.00000 0.00000 -0.00059 24 2PZ 0.00000 0.00000 -0.00283 0.00112 0.00000 25 3S -0.01557 -0.00348 0.00000 0.00000 -0.03992 26 3PX -0.01395 -0.01113 0.00000 0.00000 -0.00274 27 3PY 0.00520 0.00065 0.00000 0.00000 0.00156 28 3PZ 0.00000 0.00000 0.00705 -0.00284 0.00000 29 4S -0.00169 -0.00183 0.00000 0.00000 0.00940 30 4PX 0.00214 -0.00301 0.00000 0.00000 -0.00021 31 4PY -0.00051 -0.00206 0.00000 0.00000 -0.00065 32 4PZ 0.00000 0.00000 0.00273 -0.00097 0.00000 33 5XX 0.00021 -0.00554 0.00000 0.00000 0.02598 34 5YY 0.00412 0.00225 0.00000 0.00000 0.02801 35 5ZZ -0.00386 0.00230 0.00000 0.00000 0.02457 36 5XY 0.00230 0.00118 0.00000 0.00000 0.00064 37 5XZ 0.00000 0.00000 0.00009 0.00043 0.00000 38 5YZ 0.00000 0.00000 0.00043 0.00101 0.00000 39 3 Cl 1S 0.00220 -0.00098 0.00281 -0.00115 0.00012 40 2S -0.00925 0.00424 -0.01227 0.00502 -0.00087 41 2PX -0.01686 0.01211 -0.01874 0.01249 0.00498 42 2PY 0.00679 0.00698 0.01241 0.00727 -0.00202 43 2PZ 0.00108 0.01383 -0.02162 0.00872 -0.00447 44 3S 0.01982 -0.00797 0.02344 -0.00962 -0.00011 45 3PX 0.04025 -0.02937 0.04577 -0.03121 -0.01253 46 3PY -0.01637 -0.01903 -0.03092 -0.01915 0.00510 47 3PZ -0.00880 -0.03402 0.05294 -0.02135 0.01117 48 4S 0.00895 -0.00506 0.01362 -0.00559 0.00318 49 4PX 0.01823 -0.01543 0.01974 -0.01540 -0.00589 50 4PY -0.00737 -0.00909 -0.01516 -0.01183 0.00237 51 4PZ -0.00334 -0.01521 0.02506 -0.01021 0.00669 52 5XX -0.00025 0.00090 -0.00040 -0.00024 -0.00027 53 5YY 0.00010 0.00088 -0.00098 0.00082 -0.00086 54 5ZZ -0.00055 -0.00223 0.00159 -0.00064 0.00034 55 5XY 0.00019 0.00031 -0.00065 -0.00025 -0.00028 56 5XZ 0.00157 -0.00077 0.00213 -0.00125 -0.00123 57 5YZ -0.00064 -0.00063 -0.00125 -0.00052 0.00047 58 4 Cl 1S 0.00220 -0.00098 -0.00281 0.00115 0.00012 59 2S -0.00925 0.00424 0.01227 -0.00502 -0.00087 60 2PX -0.01686 0.01211 0.01873 -0.01249 0.00498 61 2PY 0.00679 0.00698 -0.01240 -0.00727 -0.00202 62 2PZ -0.00107 -0.01382 -0.02162 0.00872 0.00447 63 3S 0.01981 -0.00797 -0.02343 0.00962 -0.00011 64 3PX 0.04025 -0.02937 -0.04576 0.03121 -0.01253 65 3PY -0.01637 -0.01903 0.03091 0.01914 0.00510 66 3PZ 0.00879 0.03401 0.05294 -0.02135 -0.01117 67 4S 0.00895 -0.00506 -0.01362 0.00559 0.00318 68 4PX 0.01822 -0.01543 -0.01974 0.01540 -0.00589 69 4PY -0.00737 -0.00909 0.01516 0.01182 0.00237 70 4PZ 0.00334 0.01521 0.02506 -0.01021 -0.00669 71 5XX -0.00025 0.00090 0.00040 0.00024 -0.00027 72 5YY 0.00010 0.00088 0.00098 -0.00082 -0.00086 73 5ZZ -0.00055 -0.00223 -0.00159 0.00064 0.00034 74 5XY 0.00019 0.00031 0.00065 0.00025 -0.00028 75 5XZ -0.00157 0.00077 0.00213 -0.00125 0.00123 76 5YZ 0.00064 0.00063 -0.00125 -0.00052 -0.00047 77 5 Cl 1S -0.00188 -0.00092 0.00000 0.00000 0.00002 78 2S 0.00801 0.00405 0.00000 0.00000 -0.00006 79 2PX -0.00363 0.03154 0.00000 0.00000 -0.00015 80 2PY 0.01890 0.01171 0.00000 0.00000 -0.00022 81 2PZ 0.00000 0.00000 -0.00452 0.03149 0.00000 82 3S -0.01550 -0.00789 0.00000 0.00000 0.00029 83 3PX 0.00821 -0.07948 0.00000 0.00000 0.00032 84 3PY -0.05124 -0.02717 0.00000 -0.00001 0.00062 85 3PZ 0.00001 0.00000 0.01148 -0.07954 0.00000 86 4S 0.00000 -0.00273 0.00000 0.00000 -0.00027 87 4PX 0.00426 -0.04203 0.00000 0.00000 0.00011 88 4PY -0.01799 -0.01207 0.00000 0.00000 0.00006 89 4PZ 0.00000 0.00000 0.00511 -0.04413 0.00000 90 5XX 0.00124 0.00097 0.00000 0.00000 0.00008 91 5YY -0.00336 -0.00130 0.00000 0.00000 0.00007 92 5ZZ 0.00143 0.00032 0.00000 0.00000 0.00007 93 5XY 0.00020 -0.00187 0.00000 0.00000 0.00001 94 5XZ 0.00000 0.00000 0.00039 0.00034 0.00000 95 5YZ 0.00000 0.00000 -0.00014 -0.00233 0.00000 96 6 Cl 1S 0.00016 0.00008 0.00000 0.00000 0.00047 97 2S -0.00069 -0.00043 0.00000 0.00000 -0.00217 98 2PX -0.00116 -0.00156 0.00000 0.00000 -0.00126 99 2PY 0.00302 0.00149 0.00000 0.00000 0.01138 100 2PZ 0.00000 0.00000 0.00176 0.00085 0.00000 101 3S 0.00206 0.00087 0.00000 0.00000 0.00338 102 3PX 0.00414 0.00463 0.00000 0.00000 0.00310 103 3PY -0.00779 -0.00430 0.00000 0.00000 -0.02845 104 3PZ 0.00000 0.00000 -0.00416 -0.00282 0.00000 105 4S 0.00068 0.00095 0.00000 0.00000 0.00058 106 4PX 0.00278 0.00366 0.00000 0.00000 0.00137 107 4PY -0.00383 -0.00179 0.00000 0.00000 -0.01282 108 4PZ 0.00000 0.00000 -0.00329 -0.00127 0.00000 109 5XX -0.00005 -0.00021 0.00000 0.00000 -0.00101 110 5YY 0.00000 0.00008 0.00000 0.00000 0.00142 111 5ZZ -0.00015 -0.00003 0.00000 0.00000 -0.00107 112 5XY 0.00020 0.00008 0.00000 0.00000 -0.00027 113 5XZ 0.00000 0.00000 0.00011 0.00006 0.00000 114 5YZ 0.00000 0.00000 -0.00023 0.00007 0.00000 115 7 Br 1S 0.00018 -0.00091 0.00000 0.00000 0.00003 116 2S -0.00259 0.00787 0.00000 0.00000 0.00007 117 3S 0.00507 -0.01175 0.00000 0.00000 -0.00038 118 4S 0.00923 -0.02206 0.00000 0.00000 -0.00021 119 5S -0.01311 0.02505 0.00000 0.00000 0.00101 120 6S 0.00385 0.00686 0.00000 0.00000 -0.00309 121 7PX 0.00373 -0.01337 0.00000 0.00000 -0.00003 122 7PY 0.00098 -0.00845 0.00000 0.00000 -0.00013 123 7PZ 0.00000 0.00000 0.00891 0.00581 0.00000 124 8PX -0.01732 0.03391 0.00000 0.00000 0.00011 125 8PY -0.01081 0.01919 0.00000 0.00000 0.00034 126 8PZ 0.00000 0.00000 -0.02741 -0.01928 0.00000 127 9PX 0.03257 -0.05819 0.00000 0.00000 -0.00032 128 9PY 0.02155 -0.03163 0.00000 0.00000 -0.00066 129 9PZ 0.00000 0.00000 0.04969 0.03494 0.00000 130 10PX 0.02130 -0.03875 0.00000 0.00000 0.00020 131 10PY 0.01261 -0.02027 0.00000 0.00000 -0.00017 132 10PZ 0.00000 0.00000 0.04194 0.03128 0.00000 133 11XX -0.00099 0.00356 0.00000 0.00000 0.00033 134 11YY -0.00092 0.00518 0.00000 0.00000 0.00032 135 11ZZ -0.00367 0.00535 0.00000 0.00000 0.00031 136 11XY 0.00257 -0.00153 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00074 0.00141 0.00000 138 11YZ 0.00000 0.00000 0.00082 0.00066 0.00000 139 12XX -0.00344 0.00430 0.00000 0.00000 0.00075 140 12YY -0.00276 0.00198 0.00000 0.00000 0.00076 141 12ZZ -0.00077 0.00124 0.00000 0.00000 0.00081 142 12XY -0.00239 0.00257 0.00000 0.00000 -0.00003 143 12XZ 0.00000 0.00000 -0.00176 -0.00211 0.00000 144 12YZ 0.00000 0.00000 -0.00161 -0.00100 0.00000 145 8 Br 1S -0.00028 -0.00016 0.00000 0.00000 -0.00016 146 2S 0.00154 0.00055 0.00000 0.00000 0.00146 147 3S -0.00135 -0.00004 0.00000 0.00000 -0.00216 148 4S -0.00242 0.00040 0.00000 0.00000 -0.00313 149 5S 0.00143 0.00053 0.00000 0.00000 0.00150 150 6S 0.00134 -0.00811 0.00000 0.00000 -0.00060 151 7PX 0.00069 0.00015 0.00000 0.00000 0.00350 152 7PY 0.00095 -0.00024 0.00000 0.00000 0.00271 153 7PZ 0.00000 0.00000 -0.00055 0.00073 0.00000 154 8PX -0.00377 -0.00061 0.00000 0.00000 -0.01100 155 8PY -0.00181 0.00027 0.00000 0.00000 -0.00871 156 8PZ 0.00000 0.00000 0.00071 -0.00234 0.00000 157 9PX 0.00757 0.00112 0.00000 0.00000 0.01956 158 9PY 0.00291 -0.00029 0.00000 0.00000 0.01550 159 9PZ 0.00000 0.00000 -0.00089 0.00431 0.00000 160 10PX 0.00619 -0.00089 0.00000 0.00000 0.01485 161 10PY 0.00170 -0.00166 0.00000 0.00000 0.01194 162 10PZ 0.00000 0.00000 -0.00176 0.00414 0.00000 163 11XX 0.00046 0.00012 0.00000 0.00000 0.00084 164 11YY 0.00075 0.00027 0.00000 0.00000 0.00115 165 11ZZ 0.00089 0.00011 0.00000 0.00000 0.00180 166 11XY 0.00007 -0.00005 0.00000 0.00000 -0.00090 167 11XZ 0.00000 0.00000 -0.00019 0.00008 0.00000 168 11YZ 0.00000 0.00000 -0.00012 0.00003 0.00000 169 12XX -0.00012 0.00100 0.00000 0.00000 0.00189 170 12YY 0.00012 0.00076 0.00000 0.00000 0.00107 171 12ZZ -0.00001 0.00125 0.00000 0.00000 -0.00046 172 12XY -0.00020 -0.00021 0.00000 0.00000 0.00221 173 12XZ 0.00000 0.00000 0.00013 -0.00013 0.00000 174 12YZ 0.00000 0.00000 0.00003 0.00017 0.00000 21 22 23 24 25 21 2S 2.18957 22 2PX -0.00640 2.00062 23 2PY 0.00201 0.00382 2.00842 24 2PZ 0.00000 0.00000 0.00000 1.99289 25 3S -0.09271 0.02638 -0.01100 0.00000 0.61154 26 3PX 0.00978 -0.01021 -0.00938 0.00000 -0.03578 27 3PY -0.00532 -0.00907 -0.02974 0.00000 0.02572 28 3PZ 0.00000 0.00000 0.00000 0.00836 0.00000 29 4S -0.01578 -0.00270 0.00777 0.00000 -0.02140 30 4PX 0.00039 -0.01970 0.00385 0.00000 -0.01478 31 4PY 0.00320 0.00215 -0.00964 0.00000 -0.00058 32 4PZ 0.00000 0.00000 0.00000 -0.01783 0.00000 33 5XX -0.02859 -0.00215 0.00961 0.00000 -0.01609 34 5YY -0.03793 -0.00078 -0.00990 0.00000 0.00566 35 5ZZ -0.02059 -0.00985 0.00504 0.00000 -0.04377 36 5XY -0.00347 0.00599 0.00626 0.00000 0.00656 37 5XZ 0.00000 0.00000 0.00000 -0.00466 0.00000 38 5YZ 0.00000 0.00000 0.00000 0.00094 0.00000 39 3 Cl 1S -0.00064 -0.00183 0.00068 0.00244 -0.00170 40 2S 0.00389 0.00835 -0.00308 -0.01116 0.00543 41 2PX -0.02313 -0.01702 0.00987 0.02432 0.05566 42 2PY 0.00938 0.00981 0.00403 -0.00964 -0.02295 43 2PZ 0.02141 0.02248 -0.00892 -0.01816 -0.04548 44 3S 0.00103 -0.01457 0.00524 0.01970 -0.02748 45 3PX 0.05952 0.04394 -0.02522 -0.06213 -0.13487 46 3PY -0.02409 -0.02506 -0.00985 0.02467 0.05555 47 3PZ -0.05218 -0.05689 0.02255 0.04662 0.12781 48 4S -0.00501 -0.00551 0.00119 0.00993 -0.01585 49 4PX 0.02401 0.01986 -0.01116 -0.02871 -0.05091 50 4PY -0.00989 -0.01140 -0.00561 0.01125 0.02154 51 4PZ -0.02450 -0.02760 0.01081 0.02644 0.04761 52 5XX -0.00009 0.00210 0.00054 0.00118 0.00160 53 5YY 0.00289 0.00120 -0.00175 -0.00102 -0.00510 54 5ZZ -0.00293 -0.00438 0.00170 0.00082 0.00800 55 5XY 0.00141 0.00061 0.00130 -0.00118 -0.00327 56 5XZ 0.00632 0.00205 -0.00182 -0.00348 -0.01504 57 5YZ -0.00242 -0.00180 -0.00168 0.00138 0.00586 58 4 Cl 1S -0.00064 -0.00183 0.00068 -0.00244 -0.00170 59 2S 0.00389 0.00835 -0.00308 0.01116 0.00542 60 2PX -0.02313 -0.01702 0.00987 -0.02432 0.05567 61 2PY 0.00938 0.00981 0.00404 0.00964 -0.02295 62 2PZ -0.02141 -0.02248 0.00892 -0.01816 0.04549 63 3S 0.00102 -0.01457 0.00524 -0.01970 -0.02748 64 3PX 0.05953 0.04394 -0.02522 0.06214 -0.13490 65 3PY -0.02409 -0.02506 -0.00986 -0.02467 0.05556 66 3PZ 0.05219 0.05690 -0.02255 0.04662 -0.12784 67 4S -0.00501 -0.00551 0.00119 -0.00993 -0.01586 68 4PX 0.02401 0.01987 -0.01116 0.02872 -0.05092 69 4PY -0.00990 -0.01140 -0.00561 -0.01125 0.02154 70 4PZ 0.02451 0.02760 -0.01081 0.02644 -0.04762 71 5XX -0.00009 0.00210 0.00054 -0.00118 0.00160 72 5YY 0.00289 0.00120 -0.00175 0.00102 -0.00510 73 5ZZ -0.00293 -0.00438 0.00170 -0.00082 0.00800 74 5XY 0.00141 0.00061 0.00130 0.00118 -0.00328 75 5XZ -0.00632 -0.00205 0.00182 -0.00348 0.01505 76 5YZ 0.00242 0.00180 0.00168 0.00138 -0.00586 77 5 Cl 1S -0.00019 -0.00016 -0.00003 0.00000 -0.00008 78 2S 0.00077 0.00062 0.00021 0.00000 0.00045 79 2PX 0.00046 0.00085 -0.00114 0.00000 -0.00256 80 2PY 0.00151 0.00008 0.00067 0.00000 -0.00084 81 2PZ 0.00000 0.00000 0.00000 0.00269 0.00000 82 3S -0.00155 -0.00155 -0.00030 0.00000 0.00086 83 3PX -0.00196 -0.00215 0.00295 0.00000 0.00141 84 3PY -0.00394 -0.00031 -0.00170 0.00000 0.00269 85 3PZ 0.00000 0.00000 0.00000 -0.00695 0.00000 86 4S -0.00023 -0.00168 -0.00002 0.00000 0.00070 87 4PX -0.00066 -0.00211 0.00244 0.00000 0.00160 88 4PY -0.00145 -0.00095 -0.00109 0.00000 0.00173 89 4PZ 0.00000 0.00000 0.00000 -0.00399 0.00000 90 5XX -0.00009 -0.00022 0.00019 0.00000 0.00018 91 5YY -0.00015 -0.00005 -0.00004 0.00000 -0.00032 92 5ZZ 0.00007 0.00002 0.00009 0.00000 -0.00030 93 5XY -0.00012 -0.00008 0.00005 0.00000 0.00029 94 5XZ 0.00000 0.00000 0.00000 -0.00010 0.00000 95 5YZ 0.00000 0.00000 0.00000 0.00013 0.00000 96 6 Cl 1S -0.00229 0.00043 -0.00485 0.00000 0.00137 97 2S 0.01046 -0.00195 0.02149 0.00000 -0.00527 98 2PX 0.00690 0.01709 0.00679 0.00000 -0.00989 99 2PY -0.05344 0.00564 -0.05393 0.00000 0.13928 100 2PZ 0.00000 0.00000 0.00000 0.02042 0.00000 101 3S -0.01503 0.00374 -0.04372 0.00000 -0.00632 102 3PX -0.01856 -0.04351 -0.01715 0.00000 0.01690 103 3PY 0.13249 -0.01432 0.13663 -0.00001 -0.37017 104 3PZ 0.00000 0.00000 -0.00001 -0.05200 0.00001 105 4S 0.00554 0.00021 -0.00432 0.00000 -0.05389 106 4PX -0.00774 -0.02032 -0.00851 0.00000 0.00454 107 4PY 0.05021 -0.00690 0.05939 0.00000 -0.12362 108 4PZ 0.00000 0.00000 0.00000 -0.02633 0.00000 109 5XX 0.00390 -0.00078 0.00261 0.00000 -0.00897 110 5YY -0.00971 0.00138 -0.00522 0.00000 0.03075 111 5ZZ 0.00419 -0.00042 0.00268 0.00000 -0.00952 112 5XY 0.00164 0.00310 0.00158 0.00000 -0.00320 113 5XZ 0.00000 0.00000 0.00000 -0.00051 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00308 0.00000 115 7 Br 1S -0.00010 -0.00009 0.00001 0.00000 0.00026 116 2S 0.00020 0.00020 0.00012 0.00000 -0.00124 117 3S 0.00044 0.00033 -0.00038 0.00000 0.00072 118 4S 0.00018 0.00002 -0.00060 0.00000 0.00119 119 5S -0.00310 -0.00086 0.00025 0.00000 0.00199 120 6S 0.00581 -0.00058 0.00234 0.00000 -0.00477 121 7PX 0.00086 -0.00036 -0.00022 0.00000 0.00266 122 7PY 0.00037 0.00033 -0.00007 0.00000 -0.00252 123 7PZ 0.00000 0.00000 0.00000 -0.00118 0.00000 124 8PX -0.00119 0.00149 0.00063 0.00000 -0.00131 125 8PY -0.00194 -0.00095 0.00023 0.00000 0.00252 126 8PZ 0.00000 0.00000 0.00000 0.00350 0.00000 127 9PX 0.00180 -0.00241 -0.00115 0.00000 -0.00073 128 9PY 0.00397 0.00173 -0.00040 0.00000 -0.00246 129 9PZ 0.00000 0.00000 0.00000 -0.00643 0.00000 130 10PX 0.00065 -0.00251 -0.00179 0.00000 0.00065 131 10PY 0.00223 0.00273 -0.00086 0.00000 -0.00271 132 10PZ 0.00000 0.00000 0.00000 -0.00568 0.00000 133 11XX -0.00038 -0.00023 0.00015 0.00000 -0.00103 134 11YY 0.00012 -0.00008 0.00013 0.00000 0.00079 135 11ZZ -0.00030 -0.00014 0.00019 0.00000 -0.00115 136 11XY -0.00005 -0.00013 -0.00003 0.00000 -0.00049 137 11XZ 0.00000 0.00000 0.00000 0.00014 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00003 0.00000 139 12XX -0.00144 -0.00049 0.00011 0.00000 0.00036 140 12YY -0.00148 -0.00104 -0.00012 0.00000 0.00089 141 12ZZ -0.00132 -0.00059 -0.00025 0.00000 0.00021 142 12XY 0.00001 0.00006 0.00015 0.00000 -0.00053 143 12XZ 0.00000 0.00000 0.00000 -0.00009 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00019 0.00000 145 8 Br 1S 0.00117 -0.00198 -0.00157 0.00000 0.00400 146 2S -0.00799 0.01317 0.01043 0.00000 -0.01908 147 3S 0.00983 -0.01564 -0.01233 0.00000 0.01226 148 4S 0.01554 -0.02741 -0.02194 0.00000 0.02449 149 5S -0.01460 0.03058 0.02382 0.00000 0.00723 150 6S 0.01528 -0.01073 -0.00630 0.00000 -0.09118 151 7PX -0.01681 0.01019 0.01400 0.00000 0.03543 152 7PY -0.01346 0.01349 0.00472 0.00000 0.02508 153 7PZ 0.00000 0.00000 0.00000 -0.00771 0.00000 154 8PX 0.05356 -0.02999 -0.04202 0.00000 -0.12787 155 8PY 0.04025 -0.04035 -0.01346 0.00000 -0.11262 156 8PZ 0.00000 0.00000 0.00000 0.02365 0.00000 157 9PX -0.09591 0.05452 0.07631 0.00000 0.23208 158 9PY -0.07077 0.07349 0.02472 0.00000 0.21240 159 9PZ 0.00000 0.00000 0.00000 -0.04282 0.00001 160 10PX -0.06522 0.03811 0.05484 0.00000 0.14403 161 10PY -0.04811 0.05249 0.01457 0.00000 0.13491 162 10PZ 0.00000 0.00000 0.00000 -0.03468 0.00000 163 11XX -0.00250 0.00750 0.00467 0.00000 -0.01528 164 11YY -0.00451 0.00658 0.00646 0.00000 -0.01209 165 11ZZ -0.00663 0.00730 0.00570 0.00000 0.00491 166 11XY 0.00361 -0.00040 0.00001 0.00000 -0.02037 167 11XZ 0.00000 0.00000 0.00000 0.00083 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00059 0.00000 169 12XX -0.01107 0.00653 0.00949 0.00000 0.02413 170 12YY -0.00669 0.00899 0.00126 0.00000 0.01691 171 12ZZ 0.00057 0.00351 0.00257 0.00000 -0.00239 172 12XY -0.01076 0.00539 0.00230 0.00000 0.02666 173 12XZ 0.00000 0.00000 0.00000 -0.00401 0.00000 174 12YZ 0.00000 0.00000 0.00000 -0.00302 0.00000 26 27 28 29 30 26 3PX 0.19531 27 3PY 0.02361 0.24759 28 3PZ 0.00001 0.00000 0.13325 29 4S 0.00960 -0.01488 0.00000 0.03777 30 4PX 0.01747 -0.00584 0.00000 0.02823 0.04391 31 4PY -0.00338 -0.00425 0.00000 -0.01805 -0.01067 32 4PZ 0.00000 0.00000 0.01381 0.00000 0.00000 33 5XX 0.00294 -0.02929 0.00000 -0.00547 -0.00735 34 5YY -0.01165 0.03511 0.00000 0.00784 0.01170 35 5ZZ 0.02319 -0.01286 0.00000 0.00050 -0.00283 36 5XY -0.02690 -0.01757 0.00000 0.01051 0.01659 37 5XZ 0.00000 0.00000 0.02214 0.00000 0.00000 38 5YZ 0.00000 0.00000 -0.00725 0.00000 0.00000 39 3 Cl 1S 0.00242 -0.00082 -0.00371 -0.00505 -0.00304 40 2S -0.01042 0.00351 0.01647 0.01960 0.01276 41 2PX 0.04401 -0.02543 -0.05939 -0.03150 -0.02259 42 2PY -0.02605 -0.01171 0.02353 0.01238 0.00385 43 2PZ -0.05831 0.02257 0.04226 0.00514 0.00566 44 3S 0.02209 -0.00754 -0.03081 -0.01960 -0.01823 45 3PX -0.11064 0.06463 0.15283 0.00377 0.03045 46 3PY 0.06593 0.03036 -0.06061 -0.00313 0.00753 47 3PZ 0.14926 -0.05789 -0.11059 -0.01651 -0.01109 48 4S -0.01270 0.00645 -0.00173 -0.01176 -0.01655 49 4PX -0.04554 0.02438 0.05722 0.00980 0.02020 50 4PY 0.02523 0.01014 -0.02243 -0.00367 0.00062 51 4PZ 0.05547 -0.02115 -0.04953 -0.00731 -0.00803 52 5XX -0.00398 -0.00112 -0.00184 0.00032 0.00031 53 5YY -0.00207 0.00326 0.00179 0.00066 0.00086 54 5ZZ 0.01040 -0.00394 -0.00234 -0.00115 -0.00061 55 5XY -0.00113 -0.00258 0.00197 0.00031 0.00037 56 5XZ -0.00518 0.00396 0.00787 -0.00034 0.00055 57 5YZ 0.00408 0.00324 -0.00314 -0.00003 0.00054 58 4 Cl 1S 0.00242 -0.00082 0.00371 -0.00505 -0.00304 59 2S -0.01042 0.00351 -0.01648 0.01960 0.01276 60 2PX 0.04401 -0.02543 0.05940 -0.03150 -0.02259 61 2PY -0.02605 -0.01172 -0.02353 0.01238 0.00385 62 2PZ 0.05832 -0.02258 0.04226 -0.00514 -0.00566 63 3S 0.02210 -0.00754 0.03082 -0.01961 -0.01823 64 3PX -0.11065 0.06463 -0.15285 0.00376 0.03045 65 3PY 0.06594 0.03037 0.06062 -0.00313 0.00753 66 3PZ -0.14928 0.05789 -0.11059 0.01651 0.01110 67 4S -0.01271 0.00645 0.00173 -0.01176 -0.01656 68 4PX -0.04554 0.02438 -0.05722 0.00979 0.02020 69 4PY 0.02523 0.01015 0.02244 -0.00367 0.00062 70 4PZ -0.05548 0.02115 -0.04953 0.00731 0.00803 71 5XX -0.00398 -0.00112 0.00184 0.00032 0.00031 72 5YY -0.00207 0.00326 -0.00179 0.00066 0.00087 73 5ZZ 0.01040 -0.00394 0.00234 -0.00115 -0.00061 74 5XY -0.00113 -0.00258 -0.00197 0.00031 0.00037 75 5XZ 0.00518 -0.00396 0.00787 0.00034 -0.00055 76 5YZ -0.00408 -0.00324 -0.00314 0.00003 -0.00054 77 5 Cl 1S 0.00052 0.00010 0.00000 0.00235 0.00024 78 2S -0.00230 -0.00063 0.00000 -0.00978 -0.00161 79 2PX -0.00402 0.00433 0.00000 -0.00935 -0.00677 80 2PY 0.00073 -0.00256 0.00000 -0.00755 -0.00031 81 2PZ 0.00000 0.00000 -0.00761 0.00000 0.00000 82 3S 0.00329 0.00114 0.00000 0.00707 0.00198 83 3PX 0.01148 -0.01157 0.00000 0.05359 0.03319 84 3PY -0.00241 0.00742 0.00000 0.01740 0.00032 85 3PZ 0.00000 0.00000 0.01848 0.00000 0.00000 86 4S 0.00980 0.00247 0.00000 -0.00092 0.00069 87 4PX 0.00552 -0.00636 0.00000 0.02462 0.01484 88 4PY 0.00343 0.00219 0.00000 0.00573 0.00030 89 4PZ 0.00000 0.00000 0.01222 0.00000 0.00000 90 5XX 0.00014 -0.00044 0.00000 -0.00071 -0.00025 91 5YY -0.00055 0.00028 0.00000 0.00165 0.00031 92 5ZZ -0.00057 -0.00006 0.00000 -0.00040 0.00001 93 5XY 0.00047 -0.00019 0.00000 0.00206 0.00121 94 5XZ 0.00000 0.00000 0.00023 0.00000 0.00000 95 5YZ 0.00000 0.00000 -0.00016 0.00000 0.00000 96 6 Cl 1S -0.00052 0.00780 0.00000 -0.00882 -0.00178 97 2S 0.00249 -0.03332 0.00000 0.03375 0.00682 98 2PX -0.04394 -0.01906 0.00000 -0.01834 -0.04122 99 2PY -0.01217 0.14516 -0.00001 -0.00927 -0.00289 100 2PZ 0.00000 -0.00001 -0.05321 0.00000 0.00000 101 3S -0.00512 0.06646 0.00000 -0.03075 -0.00221 102 3PX 0.11107 0.04940 0.00000 0.08260 0.14971 103 3PY 0.03113 -0.35839 0.00002 0.01304 0.00940 104 3PZ 0.00000 0.00001 0.13459 0.00000 0.00000 105 4S 0.00061 -0.03884 0.00000 -0.00813 0.00064 106 4PX 0.04725 0.01864 0.00000 0.04039 0.07262 107 4PY 0.01259 -0.12371 0.00001 0.00408 0.00433 108 4PZ 0.00000 0.00001 0.06441 0.00000 0.00000 109 5XX 0.00180 -0.00626 0.00000 0.00083 0.00098 110 5YY -0.00243 0.01995 0.00000 -0.00219 -0.00149 111 5ZZ 0.00096 -0.00656 0.00000 0.00040 0.00000 112 5XY -0.00703 -0.00469 0.00000 -0.00284 -0.00510 113 5XZ 0.00000 0.00000 0.00113 0.00000 0.00000 114 5YZ 0.00000 0.00000 -0.00692 0.00000 0.00000 115 7 Br 1S 0.00104 -0.00025 0.00000 0.00265 0.00495 116 2S -0.00477 0.00097 0.00000 -0.01165 -0.02332 117 3S 0.00283 -0.00027 0.00000 0.00624 0.01499 118 4S 0.00342 0.00064 0.00000 0.00866 0.02185 119 5S -0.00219 0.00310 0.00000 0.00906 0.00392 120 6S 0.01609 -0.01917 0.00000 -0.00500 0.00189 121 7PX 0.00167 0.00052 0.00000 -0.01402 -0.00693 122 7PY -0.00160 0.00017 0.00000 0.00197 0.00141 123 7PZ 0.00000 0.00000 0.00376 0.00000 0.00000 124 8PX -0.00743 -0.00128 0.00000 -0.00271 -0.00359 125 8PY 0.00381 -0.00077 0.00000 0.02324 0.00797 126 8PZ 0.00000 0.00000 -0.00988 0.00000 0.00000 127 9PX 0.01453 0.00220 0.00000 0.02349 0.01669 128 9PY -0.00668 0.00144 0.00000 -0.05401 -0.01957 129 9PZ 0.00000 0.00000 0.01726 0.00000 0.00000 130 10PX 0.00702 0.00500 0.00000 0.01955 0.01252 131 10PY -0.00914 0.00269 0.00000 -0.03901 -0.01391 132 10PZ 0.00000 0.00000 0.01704 0.00000 0.00000 133 11XX -0.00168 0.00037 0.00000 0.00149 -0.00691 134 11YY -0.00203 0.00040 0.00000 -0.01230 -0.01398 135 11ZZ -0.00212 0.00038 0.00000 -0.00217 -0.00774 136 11XY 0.00048 0.00012 0.00000 0.00196 0.00156 137 11XZ 0.00000 0.00000 -0.00041 0.00000 0.00000 138 11YZ 0.00000 0.00000 -0.00011 0.00000 0.00000 139 12XX -0.00298 0.00257 0.00000 -0.00161 -0.00349 140 12YY -0.00163 0.00269 0.00000 0.00284 -0.00189 141 12ZZ -0.00342 0.00299 0.00000 -0.00027 -0.00270 142 12XY -0.00026 -0.00017 0.00000 0.00197 0.00056 143 12XZ 0.00000 0.00000 -0.00021 0.00000 0.00000 144 12YZ 0.00000 0.00000 -0.00069 0.00000 0.00000 145 8 Br 1S 0.00377 0.00235 0.00000 -0.03506 0.01461 146 2S -0.02340 -0.01553 0.00000 0.16664 -0.07071 147 3S 0.02582 0.01849 0.00000 -0.11031 0.04913 148 4S 0.04238 0.03073 0.00000 -0.16329 0.07325 149 5S -0.05653 -0.04589 0.00000 -0.00925 -0.00825 150 6S 0.07286 0.06009 0.00000 -0.02993 0.02463 151 7PX -0.02396 -0.03490 0.00000 -0.02448 0.00202 152 7PY -0.03246 -0.01221 0.00000 -0.00601 0.00311 153 7PZ 0.00000 0.00000 0.01955 0.00000 0.00000 154 8PX 0.07685 0.10907 0.00001 -0.01281 -0.03535 155 8PY 0.10019 0.03550 0.00000 0.03203 0.02908 156 8PZ 0.00001 0.00000 -0.06058 0.00000 0.00000 157 9PX -0.13872 -0.19647 -0.00001 0.05839 0.07638 158 9PY -0.18021 -0.06313 -0.00001 -0.06363 -0.06864 159 9PZ -0.00001 0.00000 0.10928 0.00000 0.00000 160 10PX -0.08017 -0.12375 -0.00001 0.03975 0.06175 161 10PY -0.11237 -0.02900 0.00000 -0.05218 -0.05069 162 10PZ -0.00001 0.00000 0.08491 0.00000 0.00000 163 11XX -0.00977 -0.00052 0.00000 0.05936 -0.03682 164 11YY -0.00893 -0.01163 0.00000 0.07804 -0.02257 165 11ZZ -0.01783 -0.01298 0.00000 0.06825 -0.02969 166 11XY 0.01023 0.00669 0.00000 -0.00403 -0.00096 167 11XZ 0.00000 0.00000 -0.00376 0.00000 0.00000 168 11YZ 0.00000 0.00000 -0.00310 0.00000 0.00000 169 12XX -0.01838 -0.02264 0.00000 0.02598 -0.00860 170 12YY -0.02093 -0.00850 0.00000 0.01879 -0.01746 171 12ZZ -0.01138 -0.00915 0.00000 0.02274 -0.01239 172 12XY -0.01014 -0.00597 0.00000 -0.00155 -0.00186 173 12XZ 0.00000 0.00000 0.00661 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00492 0.00000 0.00000 31 32 33 34 35 31 4PY 0.02400 32 4PZ 0.00000 0.02010 33 5XX 0.01171 0.00000 0.01413 34 5YY -0.01459 0.00000 -0.01230 0.01904 35 5ZZ 0.00291 0.00000 0.00273 -0.00702 0.01159 36 5XY 0.00205 0.00000 0.00059 0.00141 -0.00409 37 5XZ 0.00000 -0.01161 0.00000 0.00000 0.00000 38 5YZ 0.00000 0.00393 0.00000 0.00000 0.00000 39 3 Cl 1S 0.00128 0.00273 0.00035 -0.00130 0.00220 40 2S -0.00531 -0.01093 -0.00127 0.00580 -0.00925 41 2PX 0.00528 0.01034 -0.00381 -0.01031 0.01686 42 2PY -0.01282 -0.00387 -0.00833 0.01455 -0.00679 43 2PZ -0.00271 -0.01304 -0.01570 0.00837 0.00107 44 3S 0.00669 0.01452 0.00214 -0.01138 0.01982 45 3PX 0.00425 -0.01409 0.01333 0.02694 -0.04025 46 3PY 0.04112 0.00510 0.02037 -0.03750 0.01636 47 3PZ 0.00764 0.03993 0.03518 -0.02400 -0.00879 48 4S 0.00712 0.01452 0.00146 -0.00632 0.00895 49 4PX -0.00141 -0.01000 0.00490 0.01286 -0.01823 50 4PY 0.01981 0.00411 0.01097 -0.01858 0.00736 51 4PZ 0.00422 0.01967 0.01540 -0.01066 -0.00334 52 5XX -0.00026 -0.00088 -0.00059 0.00042 -0.00025 53 5YY -0.00037 -0.00076 -0.00104 0.00092 0.00010 54 5ZZ 0.00042 0.00154 0.00231 -0.00156 -0.00055 55 5XY -0.00019 -0.00009 0.00002 -0.00003 0.00019 56 5XZ 0.00051 -0.00028 0.00096 0.00116 -0.00157 57 5YZ 0.00167 0.00014 0.00037 -0.00124 0.00064 58 4 Cl 1S 0.00128 -0.00273 0.00035 -0.00130 0.00220 59 2S -0.00531 0.01093 -0.00127 0.00580 -0.00925 60 2PX 0.00528 -0.01034 -0.00381 -0.01031 0.01687 61 2PY -0.01283 0.00387 -0.00833 0.01455 -0.00679 62 2PZ 0.00271 -0.01304 0.01571 -0.00837 -0.00108 63 3S 0.00669 -0.01452 0.00214 -0.01139 0.01982 64 3PX 0.00425 0.01409 0.01334 0.02695 -0.04026 65 3PY 0.04113 -0.00510 0.02037 -0.03751 0.01636 66 3PZ -0.00764 0.03993 -0.03518 0.02401 0.00880 67 4S 0.00712 -0.01452 0.00146 -0.00632 0.00895 68 4PX -0.00141 0.01000 0.00490 0.01286 -0.01823 69 4PY 0.01981 -0.00411 0.01097 -0.01858 0.00736 70 4PZ -0.00422 0.01967 -0.01541 0.01066 0.00334 71 5XX -0.00026 0.00088 -0.00059 0.00042 -0.00025 72 5YY -0.00037 0.00076 -0.00104 0.00092 0.00010 73 5ZZ 0.00042 -0.00154 0.00231 -0.00156 -0.00055 74 5XY -0.00019 0.00009 0.00002 -0.00003 0.00019 75 5XZ -0.00051 -0.00028 -0.00096 -0.00116 0.00157 76 5YZ -0.00167 0.00014 -0.00037 0.00124 -0.00064 77 5 Cl 1S -0.00203 0.00000 0.00011 -0.00030 0.00016 78 2S 0.00753 0.00000 -0.00053 0.00134 -0.00069 79 2PX 0.00101 0.00000 -0.00191 -0.00067 0.00116 80 2PY 0.00147 0.00000 0.00220 0.00189 -0.00302 81 2PZ 0.00000 0.00016 0.00000 0.00000 0.00000 82 3S -0.00520 0.00000 0.00057 -0.00259 0.00206 83 3PX -0.00763 0.00000 0.00527 0.00245 -0.00414 84 3PY -0.00304 0.00000 -0.00609 -0.00517 0.00779 85 3PZ 0.00000 -0.00200 0.00000 0.00000 0.00000 86 4S 0.00208 0.00000 0.00346 -0.00334 0.00068 87 4PX -0.00374 0.00000 0.00281 0.00164 -0.00278 88 4PY 0.00097 0.00000 -0.00127 -0.00355 0.00383 89 4PZ 0.00000 -0.00144 0.00000 0.00000 0.00000 90 5XX -0.00002 0.00000 -0.00004 0.00016 -0.00005 91 5YY -0.00061 0.00000 -0.00018 -0.00002 0.00000 92 5ZZ 0.00006 0.00000 -0.00003 0.00024 -0.00015 93 5XY 0.00000 0.00000 0.00011 -0.00020 0.00020 94 5XZ 0.00000 0.00001 0.00000 0.00000 0.00000 95 5YZ 0.00000 0.00002 0.00000 0.00000 0.00000 96 6 Cl 1S -0.00558 0.00000 -0.00245 0.00471 -0.00188 97 2S 0.02045 0.00000 0.01043 -0.02059 0.00801 98 2PX -0.00257 0.00000 0.00543 -0.01037 0.00363 99 2PY -0.01509 0.00000 -0.02577 0.03953 -0.01890 100 2PZ 0.00000 -0.02375 0.00000 0.00000 0.00000 101 3S -0.01914 0.00000 -0.02030 0.03858 -0.01550 102 3PX 0.00448 0.00000 -0.01414 0.02474 -0.00821 103 3PY 0.04161 0.00000 0.06781 -0.07938 0.05124 104 3PZ 0.00000 0.07940 0.00000 0.00001 -0.00001 105 4S -0.01350 0.00000 -0.00220 0.00963 0.00001 106 4PX 0.00423 0.00000 -0.00545 0.01096 -0.00426 107 4PY 0.01794 0.00000 0.02491 -0.02979 0.01799 108 4PZ 0.00000 0.03896 0.00000 0.00000 0.00000 109 5XX 0.00116 0.00000 0.00156 -0.00194 0.00124 110 5YY -0.00136 0.00000 -0.00341 0.00378 -0.00336 111 5ZZ 0.00081 0.00000 0.00136 -0.00192 0.00143 112 5XY 0.00055 0.00000 0.00106 -0.00128 0.00020 113 5XZ 0.00000 0.00002 0.00000 0.00000 0.00000 114 5YZ 0.00000 -0.00275 0.00000 0.00000 0.00000 115 7 Br 1S 0.00846 0.00000 0.00007 -0.00013 -0.00028 116 2S -0.04097 0.00000 -0.00046 0.00061 0.00154 117 3S 0.02837 0.00000 0.00050 -0.00036 -0.00135 118 4S 0.04296 0.00000 0.00108 -0.00053 -0.00242 119 5S -0.00111 0.00000 -0.00090 -0.00077 0.00143 120 6S -0.00081 0.00000 -0.00115 0.00158 0.00134 121 7PX -0.00142 0.00000 0.00152 0.00029 -0.00069 122 7PY -0.00151 0.00000 0.00020 0.00031 -0.00095 123 7PZ 0.00000 0.00065 0.00000 0.00000 0.00000 124 8PX 0.00602 0.00000 -0.00578 -0.00058 0.00377 125 8PY -0.00623 0.00000 -0.00043 -0.00088 0.00181 126 8PZ 0.00000 0.00037 0.00000 0.00000 0.00000 127 9PX -0.01188 0.00000 0.01098 0.00107 -0.00757 128 9PY 0.01564 0.00000 0.00067 0.00149 -0.00291 129 9PZ 0.00000 -0.00166 0.00000 0.00000 0.00000 130 10PX -0.00844 0.00000 0.00910 -0.00002 -0.00619 131 10PY 0.01162 0.00000 -0.00097 0.00162 -0.00170 132 10PZ 0.00000 -0.00173 0.00000 0.00000 0.00000 133 11XX -0.01847 0.00000 -0.00028 0.00016 0.00046 134 11YY -0.01641 0.00000 -0.00017 0.00018 0.00075 135 11ZZ -0.01671 0.00000 -0.00021 0.00038 0.00089 136 11XY 0.00013 0.00000 0.00026 0.00006 0.00007 137 11XZ 0.00000 0.00013 0.00000 0.00000 0.00000 138 11YZ 0.00000 -0.00063 0.00000 0.00000 0.00000 139 12XX -0.00430 0.00000 0.00007 -0.00014 -0.00012 140 12YY -0.00601 0.00000 0.00036 -0.00033 0.00012 141 12ZZ -0.00498 0.00000 0.00012 -0.00003 -0.00001 142 12XY -0.00071 0.00000 -0.00003 0.00015 -0.00020 143 12XZ 0.00000 -0.00004 0.00000 0.00000 0.00000 144 12YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 145 8 Br 1S 0.02356 0.00000 -0.00115 -0.00026 0.00018 146 2S -0.11315 -0.00001 0.00712 0.00137 -0.00259 147 3S 0.07706 0.00000 -0.00774 -0.00109 0.00507 148 4S 0.11491 0.00001 -0.01377 -0.00187 0.00923 149 5S -0.00420 0.00000 0.01120 0.00123 -0.01311 150 6S 0.02569 0.00000 0.00631 0.00106 0.00385 151 7PX 0.00873 0.00000 0.00215 0.00946 -0.00373 152 7PY 0.00868 0.00000 0.01353 -0.00548 -0.00098 153 7PZ 0.00000 0.00519 0.00000 0.00000 0.00000 154 8PX 0.01705 0.00000 0.00739 -0.01756 0.01732 155 8PY -0.04422 0.00000 -0.02932 0.02638 0.01081 156 8PZ 0.00000 -0.04164 0.00000 0.00000 0.00000 157 9PX -0.04849 0.00000 -0.01844 0.02814 -0.03257 158 9PY 0.08767 0.00000 0.04881 -0.05113 -0.02155 159 9PZ 0.00000 0.08621 0.00000 0.00000 0.00000 160 10PX -0.03555 0.00000 -0.01653 0.02420 -0.02130 161 10PY 0.07266 0.00000 0.03905 -0.04103 -0.01261 162 10PZ 0.00000 0.06943 0.00000 0.00000 0.00000 163 11XX -0.04158 0.00000 0.00503 0.00022 -0.00099 164 11YY -0.05347 0.00000 0.00271 0.00167 -0.00092 165 11ZZ -0.04629 0.00000 0.00304 -0.00010 -0.00367 166 11XY -0.00096 0.00000 0.00069 0.00195 0.00257 167 11XZ 0.00000 -0.00312 0.00000 0.00000 0.00000 168 11YZ 0.00000 -0.00334 0.00000 0.00000 0.00000 169 12XX -0.02141 0.00000 -0.00039 0.00216 -0.00344 170 12YY -0.01342 0.00000 0.00317 -0.00194 -0.00276 171 12ZZ -0.01730 0.00000 0.00089 0.00016 -0.00077 172 12XY 0.00182 0.00000 0.00130 -0.00114 -0.00239 173 12XZ 0.00000 0.00360 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00324 0.00000 0.00000 0.00000 36 37 38 39 40 36 5XY 0.01847 37 5XZ 0.00000 0.01513 38 5YZ 0.00000 -0.00221 0.01162 39 3 Cl 1S -0.00098 -0.00281 0.00115 2.16061 40 2S 0.00424 0.01227 -0.00502 -0.61774 2.38929 41 2PX -0.01211 -0.01874 0.01249 0.00000 0.00000 42 2PY -0.00698 0.01240 0.00727 0.00000 0.00000 43 2PZ 0.01382 0.02162 -0.00871 0.00371 -0.01575 44 3S -0.00796 -0.02343 0.00961 0.04673 -0.44070 45 3PX 0.02936 0.04577 -0.03120 0.00000 0.00000 46 3PY 0.01904 -0.03091 -0.01915 0.00000 0.00000 47 3PZ -0.03401 -0.05294 0.02134 -0.00990 0.04259 48 4S -0.00506 -0.01362 0.00558 0.07339 -0.30495 49 4PX 0.01543 0.01974 -0.01540 0.00000 0.00000 50 4PY 0.00909 -0.01516 -0.01183 0.00000 0.00000 51 4PZ -0.01521 -0.02506 0.01021 -0.00360 0.01729 52 5XX 0.00090 0.00040 0.00024 0.02378 -0.03103 53 5YY 0.00088 0.00098 -0.00082 0.02213 -0.02332 54 5ZZ -0.00223 -0.00159 0.00064 0.02336 -0.02922 55 5XY 0.00031 0.00065 0.00025 -0.00091 0.00425 56 5XZ 0.00077 0.00213 -0.00125 0.00000 0.00000 57 5YZ 0.00063 -0.00125 -0.00052 0.00000 0.00000 58 4 Cl 1S -0.00098 0.00281 -0.00115 -0.00005 0.00008 59 2S 0.00424 -0.01227 0.00502 0.00008 0.00013 60 2PX -0.01211 0.01874 -0.01249 0.00000 0.00000 61 2PY -0.00698 -0.01240 -0.00728 0.00000 0.00000 62 2PZ -0.01382 0.02162 -0.00871 -0.00210 0.00978 63 3S -0.00797 0.02344 -0.00961 -0.00048 0.00173 64 3PX 0.02937 -0.04577 0.03120 0.00000 0.00000 65 3PY 0.01904 0.03091 0.01916 0.00000 0.00000 66 3PZ 0.03401 -0.05294 0.02134 0.00536 -0.02492 67 4S -0.00506 0.01362 -0.00558 0.00337 -0.01364 68 4PX 0.01543 -0.01974 0.01540 0.00000 0.00000 69 4PY 0.00910 0.01516 0.01183 0.00000 0.00000 70 4PZ 0.01521 -0.02506 0.01021 0.00132 -0.00710 71 5XX 0.00090 -0.00040 -0.00024 -0.00004 0.00010 72 5YY 0.00088 -0.00098 0.00082 0.00000 -0.00005 73 5ZZ -0.00223 0.00159 -0.00064 -0.00054 0.00223 74 5XY 0.00031 -0.00065 -0.00025 0.00001 -0.00005 75 5XZ -0.00077 0.00213 -0.00125 0.00000 0.00000 76 5YZ -0.00063 -0.00125 -0.00052 0.00000 0.00000 77 5 Cl 1S 0.00008 0.00000 0.00000 -0.00004 0.00012 78 2S -0.00043 0.00000 0.00000 0.00012 -0.00032 79 2PX 0.00156 0.00000 0.00000 -0.00085 0.00388 80 2PY -0.00149 0.00000 0.00000 0.00107 -0.00434 81 2PZ 0.00000 -0.00176 -0.00085 -0.00113 0.00515 82 3S 0.00087 0.00000 0.00000 -0.00045 0.00177 83 3PX -0.00463 0.00000 0.00000 0.00222 -0.01065 84 3PY 0.00431 0.00000 0.00000 -0.00261 0.01060 85 3PZ 0.00000 0.00416 0.00282 0.00291 -0.01355 86 4S 0.00095 0.00000 0.00000 0.00140 -0.00541 87 4PX -0.00366 0.00000 0.00000 0.00040 -0.00233 88 4PY 0.00180 0.00000 0.00000 -0.00056 0.00224 89 4PZ 0.00000 0.00329 0.00127 0.00131 -0.00634 90 5XX -0.00021 0.00000 0.00000 0.00002 -0.00002 91 5YY 0.00008 0.00000 0.00000 -0.00013 0.00052 92 5ZZ -0.00003 0.00000 0.00000 0.00005 -0.00018 93 5XY 0.00008 0.00000 0.00000 0.00005 -0.00026 94 5XZ 0.00000 0.00011 0.00006 0.00000 -0.00005 95 5YZ 0.00000 -0.00023 0.00007 0.00006 -0.00029 96 6 Cl 1S -0.00092 0.00000 0.00000 -0.00004 0.00012 97 2S 0.00405 0.00000 0.00000 0.00012 -0.00032 98 2PX -0.03153 0.00000 0.00000 0.00085 -0.00388 99 2PY -0.01172 0.00000 0.00000 -0.00107 0.00434 100 2PZ 0.00000 0.00453 -0.03149 -0.00113 0.00515 101 3S -0.00790 0.00000 0.00000 -0.00045 0.00177 102 3PX 0.07947 0.00000 0.00000 -0.00222 0.01065 103 3PY 0.02720 0.00000 0.00001 0.00261 -0.01060 104 3PZ 0.00000 -0.01149 0.07954 0.00291 -0.01355 105 4S -0.00273 0.00000 0.00000 0.00140 -0.00541 106 4PX 0.04203 0.00000 0.00000 -0.00040 0.00233 107 4PY 0.01208 0.00000 0.00000 0.00056 -0.00224 108 4PZ 0.00000 -0.00512 0.04413 0.00131 -0.00634 109 5XX 0.00097 0.00000 0.00000 0.00002 -0.00002 110 5YY -0.00130 0.00000 0.00000 -0.00013 0.00052 111 5ZZ 0.00032 0.00000 0.00000 0.00005 -0.00018 112 5XY -0.00187 0.00000 0.00000 0.00005 -0.00026 113 5XZ 0.00000 0.00039 0.00034 0.00000 0.00005 114 5YZ 0.00000 -0.00014 -0.00233 -0.00006 0.00029 115 7 Br 1S -0.00016 0.00000 0.00000 -0.00001 -0.00029 116 2S 0.00056 0.00000 0.00000 -0.00005 0.00161 117 3S -0.00004 0.00000 0.00000 0.00018 -0.00151 118 4S 0.00040 0.00000 0.00000 0.00019 -0.00208 119 5S 0.00053 0.00000 0.00000 -0.00094 0.00383 120 6S -0.00811 0.00000 0.00000 0.00260 -0.00987 121 7PX -0.00015 0.00000 0.00000 0.00058 -0.00212 122 7PY 0.00024 0.00000 0.00000 0.00009 -0.00034 123 7PZ 0.00000 0.00055 -0.00073 0.00046 -0.00195 124 8PX 0.00061 0.00000 0.00000 -0.00175 0.00740 125 8PY -0.00027 0.00000 0.00000 -0.00029 0.00073 126 8PZ 0.00000 -0.00071 0.00234 -0.00139 0.00638 127 9PX -0.00112 0.00000 0.00000 0.00321 -0.01398 128 9PY 0.00029 0.00000 0.00000 0.00040 -0.00065 129 9PZ 0.00000 0.00089 -0.00431 0.00258 -0.01196 130 10PX 0.00089 0.00000 0.00000 0.00127 -0.00579 131 10PY 0.00166 0.00000 0.00000 0.00025 -0.00029 132 10PZ 0.00000 0.00176 -0.00414 0.00185 -0.00885 133 11XX 0.00012 0.00000 0.00000 -0.00008 0.00051 134 11YY 0.00027 0.00000 0.00000 -0.00012 0.00098 135 11ZZ 0.00011 0.00000 0.00000 -0.00018 0.00119 136 11XY -0.00005 0.00000 0.00000 0.00009 -0.00036 137 11XZ 0.00000 -0.00019 0.00008 0.00001 -0.00008 138 11YZ 0.00000 -0.00012 0.00003 0.00001 -0.00013 139 12XX 0.00100 0.00000 0.00000 -0.00042 0.00177 140 12YY 0.00076 0.00000 0.00000 -0.00034 0.00134 141 12ZZ 0.00125 0.00000 0.00000 -0.00036 0.00147 142 12XY -0.00021 0.00000 0.00000 -0.00004 0.00009 143 12XZ 0.00000 0.00013 -0.00013 -0.00019 0.00075 144 12YZ 0.00000 0.00003 0.00017 -0.00005 0.00033 145 8 Br 1S -0.00091 0.00000 0.00000 -0.00001 -0.00029 146 2S 0.00788 0.00000 0.00000 -0.00005 0.00161 147 3S -0.01175 0.00000 0.00000 0.00018 -0.00151 148 4S -0.02206 0.00000 0.00000 0.00019 -0.00208 149 5S 0.02506 0.00000 0.00000 -0.00094 0.00383 150 6S 0.00686 0.00000 0.00000 0.00260 -0.00987 151 7PX 0.01337 0.00000 0.00000 -0.00058 0.00212 152 7PY 0.00845 0.00000 0.00000 -0.00009 0.00034 153 7PZ 0.00000 -0.00891 -0.00581 0.00046 -0.00195 154 8PX -0.03391 0.00000 0.00000 0.00175 -0.00740 155 8PY -0.01920 0.00000 0.00000 0.00029 -0.00073 156 8PZ 0.00000 0.02741 0.01928 -0.00139 0.00638 157 9PX 0.05818 0.00000 0.00000 -0.00321 0.01398 158 9PY 0.03165 0.00000 0.00000 -0.00040 0.00065 159 9PZ 0.00000 -0.04969 -0.03494 0.00258 -0.01196 160 10PX 0.03874 0.00000 0.00000 -0.00127 0.00579 161 10PY 0.02029 0.00000 0.00000 -0.00025 0.00029 162 10PZ 0.00000 -0.04194 -0.03129 0.00185 -0.00885 163 11XX 0.00356 0.00000 0.00000 -0.00008 0.00051 164 11YY 0.00518 0.00000 0.00000 -0.00012 0.00098 165 11ZZ 0.00536 0.00000 0.00000 -0.00018 0.00119 166 11XY -0.00153 0.00000 0.00000 0.00009 -0.00036 167 11XZ 0.00000 0.00074 0.00141 -0.00001 0.00008 168 11YZ 0.00000 0.00082 0.00066 -0.00001 0.00013 169 12XX 0.00430 0.00000 0.00000 -0.00042 0.00177 170 12YY 0.00198 0.00000 0.00000 -0.00034 0.00134 171 12ZZ 0.00124 0.00000 0.00000 -0.00036 0.00147 172 12XY 0.00257 0.00000 0.00000 -0.00004 0.00009 173 12XZ 0.00000 -0.00175 -0.00211 0.00019 -0.00075 174 12YZ 0.00000 -0.00161 -0.00100 0.00005 -0.00033 41 42 43 44 45 41 2PX 2.10576 42 2PY 0.00753 2.12181 43 2PZ 0.00000 0.00000 2.10827 44 3S 0.00000 0.00000 0.04386 1.20754 45 3PX -0.30523 -0.02006 0.00000 0.00000 0.93677 46 3PY -0.02005 -0.34789 0.00000 0.00001 0.05074 47 3PZ 0.00000 0.00000 -0.31168 -0.11153 0.00000 48 4S 0.00001 -0.00001 0.02270 0.52020 -0.00002 49 4PX -0.18815 -0.01750 0.00000 0.00000 0.40910 50 4PY -0.01765 -0.22507 0.00000 0.00000 0.05417 51 4PZ 0.00001 -0.00001 -0.18312 -0.06223 -0.00001 52 5XX 0.00000 0.00000 0.00195 -0.00493 0.00000 53 5YY 0.00000 0.00000 0.00602 -0.01975 0.00000 54 5ZZ 0.00000 0.00000 -0.01536 -0.01010 0.00000 55 5XY 0.00000 0.00000 0.00227 -0.00828 0.00000 56 5XZ -0.01732 0.00233 0.00000 0.00000 0.04549 57 5YZ 0.00232 -0.01244 0.00000 0.00000 -0.00607 58 4 Cl 1S 0.00000 0.00000 0.00210 -0.00048 0.00000 59 2S 0.00000 0.00000 -0.00978 0.00173 0.00000 60 2PX -0.00624 0.00034 0.00000 0.00000 0.01662 61 2PY 0.00034 -0.00577 0.00000 0.00000 -0.00132 62 2PZ 0.00000 0.00000 0.02465 -0.01994 0.00000 63 3S 0.00000 0.00000 0.01994 0.00007 0.00000 64 3PX 0.01662 -0.00132 0.00000 0.00000 -0.04166 65 3PY -0.00127 0.01460 0.00000 0.00000 0.00449 66 3PZ 0.00000 0.00000 -0.06645 0.04977 -0.00001 67 4S 0.00000 0.00000 0.02389 0.01438 0.00000 68 4PX 0.00174 0.00469 0.00000 0.00000 -0.01715 69 4PY 0.00428 0.01167 0.00000 0.00000 -0.00910 70 4PZ 0.00000 0.00000 -0.04469 0.01862 0.00000 71 5XX 0.00000 0.00000 0.00225 0.00087 0.00000 72 5YY 0.00000 0.00000 0.00014 0.00133 0.00000 73 5ZZ 0.00000 0.00000 -0.00379 -0.00419 0.00000 74 5XY 0.00000 0.00000 -0.00109 0.00011 0.00000 75 5XZ 0.00126 0.00012 0.00000 0.00000 -0.00250 76 5YZ 0.00012 0.00155 0.00000 0.00000 -0.00045 77 5 Cl 1S 0.00054 -0.00106 0.00039 -0.00042 -0.00137 78 2S -0.00198 0.00467 -0.00162 0.00153 0.00558 79 2PX 0.00219 -0.00713 0.00454 -0.00842 -0.00584 80 2PY -0.00745 0.00812 -0.00603 0.01231 0.01979 81 2PZ 0.00516 -0.00640 0.00243 -0.01150 -0.01359 82 3S 0.00640 -0.01103 0.00451 -0.00241 -0.01462 83 3PX -0.00586 0.01878 -0.01179 0.02069 0.01492 84 3PY 0.01910 -0.02139 0.01543 -0.03021 -0.05070 85 3PZ -0.01350 0.01721 -0.00661 0.02894 0.03476 86 4S -0.00696 -0.00899 -0.00236 0.00753 0.00752 87 4PX -0.00152 0.01261 -0.00842 0.00656 0.00803 88 4PY 0.00593 -0.01324 0.00553 -0.00869 -0.02042 89 4PZ -0.00868 0.01052 -0.00405 0.01518 0.02553 90 5XX 0.00046 0.00065 -0.00039 0.00048 -0.00039 91 5YY -0.00002 -0.00011 -0.00030 -0.00168 0.00013 92 5ZZ -0.00009 0.00046 0.00003 0.00098 0.00091 93 5XY 0.00055 -0.00100 0.00055 0.00085 -0.00108 94 5XZ -0.00022 0.00088 -0.00037 0.00015 0.00070 95 5YZ 0.00076 -0.00103 0.00053 0.00083 -0.00166 96 6 Cl 1S -0.00054 0.00106 0.00039 -0.00042 0.00137 97 2S 0.00198 -0.00466 -0.00162 0.00153 -0.00558 98 2PX 0.00219 -0.00713 -0.00454 0.00842 -0.00584 99 2PY -0.00745 0.00812 0.00603 -0.01231 0.01979 100 2PZ -0.00516 0.00640 0.00243 -0.01150 0.01359 101 3S -0.00640 0.01103 0.00451 -0.00241 0.01462 102 3PX -0.00586 0.01879 0.01179 -0.02070 0.01493 103 3PY 0.01910 -0.02139 -0.01543 0.03021 -0.05070 104 3PZ 0.01350 -0.01721 -0.00661 0.02894 -0.03476 105 4S 0.00696 0.00899 -0.00236 0.00752 -0.00752 106 4PX -0.00152 0.01261 0.00842 -0.00656 0.00803 107 4PY 0.00593 -0.01324 -0.00553 0.00869 -0.02042 108 4PZ 0.00869 -0.01052 -0.00405 0.01518 -0.02553 109 5XX -0.00046 -0.00065 -0.00039 0.00048 0.00039 110 5YY 0.00002 0.00011 -0.00030 -0.00168 -0.00013 111 5ZZ 0.00009 -0.00046 0.00003 0.00098 -0.00091 112 5XY -0.00055 0.00100 0.00055 0.00085 0.00108 113 5XZ -0.00022 0.00088 0.00037 -0.00015 0.00070 114 5YZ 0.00076 -0.00103 -0.00053 -0.00083 -0.00166 115 7 Br 1S -0.00056 -0.00018 -0.00036 -0.00082 0.00111 116 2S 0.00395 0.00131 0.00193 0.00375 -0.00814 117 3S -0.00497 -0.00168 -0.00161 -0.00224 0.01047 118 4S -0.00896 -0.00321 -0.00380 -0.00314 0.02119 119 5S 0.01165 -0.00275 0.00499 -0.00332 -0.01835 120 6S -0.00208 0.02044 -0.00358 0.00875 -0.02974 121 7PX -0.00511 -0.00114 -0.00294 0.00694 0.01385 122 7PY -0.00138 0.00092 -0.00047 0.00127 0.00352 123 7PZ -0.00316 -0.00030 -0.00081 0.00494 0.00866 124 8PX 0.01564 0.00369 0.00929 -0.01910 -0.04172 125 8PY 0.00446 -0.00280 0.00160 -0.00451 -0.01203 126 8PZ 0.00976 0.00123 0.00276 -0.01425 -0.02653 127 9PX -0.02919 -0.00663 -0.01701 0.03352 0.07676 128 9PY -0.00810 0.00510 -0.00295 0.00750 0.02250 129 9PZ -0.01831 -0.00245 -0.00530 0.02560 0.04951 130 10PX -0.02174 -0.01241 -0.01247 0.01895 0.06622 131 10PY -0.00470 0.00240 0.00150 0.00418 0.01306 132 10PZ -0.01694 -0.00211 -0.00462 0.02102 0.04724 133 11XX 0.00280 0.00098 0.00102 0.00185 -0.00560 134 11YY 0.00166 0.00059 0.00045 0.00173 -0.00272 135 11ZZ 0.00246 0.00076 0.00057 0.00083 -0.00492 136 11XY -0.00011 -0.00031 -0.00009 0.00110 0.00042 137 11XZ 0.00087 0.00028 0.00032 0.00008 -0.00222 138 11YZ 0.00031 -0.00014 0.00012 0.00004 -0.00079 139 12XX 0.00074 -0.00148 -0.00073 -0.00181 0.00281 140 12YY 0.00205 -0.00216 -0.00023 0.00035 0.00099 141 12ZZ 0.00137 -0.00246 0.00089 0.00059 0.00261 142 12XY -0.00074 0.00144 -0.00089 -0.00099 0.00112 143 12XZ -0.00098 -0.00076 -0.00043 -0.00164 0.00289 144 12YZ 0.00018 0.00064 -0.00017 -0.00120 -0.00133 145 8 Br 1S 0.00056 0.00018 -0.00036 -0.00082 -0.00111 146 2S -0.00394 -0.00131 0.00193 0.00375 0.00814 147 3S 0.00497 0.00168 -0.00161 -0.00224 -0.01047 148 4S 0.00896 0.00321 -0.00380 -0.00315 -0.02119 149 5S -0.01165 0.00275 0.00499 -0.00332 0.01835 150 6S 0.00208 -0.02044 -0.00358 0.00875 0.02975 151 7PX -0.00510 -0.00114 0.00294 -0.00694 0.01385 152 7PY -0.00138 0.00092 0.00047 -0.00127 0.00352 153 7PZ 0.00316 0.00030 -0.00081 0.00494 -0.00866 154 8PX 0.01564 0.00369 -0.00929 0.01910 -0.04171 155 8PY 0.00446 -0.00280 -0.00161 0.00451 -0.01204 156 8PZ -0.00976 -0.00123 0.00276 -0.01425 0.02653 157 9PX -0.02919 -0.00663 0.01701 -0.03352 0.07675 158 9PY -0.00810 0.00509 0.00296 -0.00751 0.02251 159 9PZ 0.01831 0.00245 -0.00530 0.02560 -0.04951 160 10PX -0.02174 -0.01241 0.01247 -0.01895 0.06622 161 10PY -0.00470 0.00240 -0.00150 -0.00418 0.01307 162 10PZ 0.01694 0.00211 -0.00462 0.02102 -0.04724 163 11XX -0.00280 -0.00098 0.00102 0.00185 0.00560 164 11YY -0.00166 -0.00059 0.00045 0.00173 0.00272 165 11ZZ -0.00246 -0.00076 0.00057 0.00083 0.00492 166 11XY 0.00011 0.00031 -0.00009 0.00110 -0.00042 167 11XZ 0.00087 0.00028 -0.00032 -0.00008 -0.00222 168 11YZ 0.00031 -0.00014 -0.00012 -0.00004 -0.00079 169 12XX -0.00074 0.00148 -0.00073 -0.00181 -0.00282 170 12YY -0.00205 0.00216 -0.00023 0.00035 -0.00099 171 12ZZ -0.00137 0.00246 0.00089 0.00059 -0.00262 172 12XY 0.00074 -0.00144 -0.00089 -0.00099 -0.00112 173 12XZ -0.00098 -0.00076 0.00043 0.00164 0.00289 174 12YZ 0.00018 0.00064 0.00017 0.00120 -0.00133 46 47 48 49 50 46 3PY 1.04423 47 3PZ 0.00001 0.94795 48 4S 0.00001 -0.06336 0.24976 49 4PX 0.05369 -0.00001 -0.00001 0.18563 50 4PY 0.52387 0.00001 0.00001 0.03834 0.26718 51 4PZ 0.00001 0.41825 -0.02679 -0.00001 0.00001 52 5XX 0.00000 -0.00427 -0.00077 0.00000 0.00000 53 5YY 0.00000 -0.01512 -0.00677 0.00000 0.00000 54 5ZZ 0.00000 0.04172 -0.00390 0.00000 0.00000 55 5XY 0.00000 -0.00599 -0.00345 0.00000 0.00000 56 5XZ -0.00610 0.00000 0.00000 0.01899 -0.00151 57 5YZ 0.03280 0.00000 0.00000 -0.00155 0.01588 58 4 Cl 1S 0.00000 -0.00536 0.00337 0.00000 0.00000 59 2S 0.00000 0.02492 -0.01364 0.00000 0.00000 60 2PX -0.00127 0.00000 0.00000 0.00174 0.00428 61 2PY 0.01460 0.00000 0.00000 0.00469 0.01168 62 2PZ 0.00000 -0.06645 -0.02389 0.00000 0.00000 63 3S 0.00000 -0.04977 0.01438 0.00000 0.00000 64 3PX 0.00449 -0.00001 0.00000 -0.01715 -0.00910 65 3PY -0.03449 0.00000 0.00000 -0.01033 -0.03791 66 3PZ 0.00000 0.18044 0.06407 -0.00001 0.00000 67 4S 0.00000 -0.06407 0.01825 0.00000 0.00000 68 4PX -0.01033 -0.00001 0.00000 -0.00716 -0.01035 69 4PY -0.03791 0.00000 0.00000 -0.01035 -0.02940 70 4PZ 0.00000 0.11378 0.02337 0.00000 0.00000 71 5XX 0.00000 -0.00645 0.00162 0.00000 0.00000 72 5YY 0.00000 -0.00089 0.00092 0.00000 0.00000 73 5ZZ 0.00000 0.00994 -0.00464 0.00000 0.00000 74 5XY 0.00000 0.00292 -0.00040 0.00000 0.00000 75 5XZ -0.00044 0.00000 0.00000 -0.00091 0.00004 76 5YZ -0.00364 0.00000 0.00000 0.00009 -0.00093 77 5 Cl 1S 0.00274 -0.00091 0.00134 0.00049 0.00071 78 2S -0.01258 0.00364 -0.00517 -0.00213 -0.00386 79 2PX 0.01896 -0.01233 -0.01593 -0.00628 0.01519 80 2PY -0.02174 0.01612 0.00070 0.00850 -0.01434 81 2PZ 0.01772 -0.00697 -0.01732 -0.01320 0.00992 82 3S 0.02646 -0.01132 0.00464 -0.00096 0.01278 83 3PX -0.04968 0.03210 0.05170 0.02089 -0.04291 84 3PY 0.05825 -0.04205 -0.00320 -0.02348 0.03480 85 3PZ -0.04831 0.01982 0.05031 0.03800 -0.02547 86 4S 0.03566 0.00821 0.00193 0.00536 0.01512 87 4PX -0.03583 0.02271 0.02339 0.01003 -0.02650 88 4PY 0.03593 -0.01361 -0.00049 -0.00923 0.01924 89 4PZ -0.02767 0.00897 0.02511 0.02252 -0.01378 90 5XX -0.00224 0.00061 -0.00022 -0.00025 -0.00113 91 5YY -0.00008 0.00006 0.00017 0.00001 0.00041 92 5ZZ -0.00181 -0.00043 0.00036 0.00041 -0.00104 93 5XY 0.00235 -0.00113 0.00213 0.00014 0.00042 94 5XZ -0.00245 0.00108 -0.00001 0.00015 -0.00127 95 5YZ 0.00258 -0.00133 0.00178 0.00025 0.00116 96 6 Cl 1S -0.00274 -0.00091 0.00134 -0.00049 -0.00071 97 2S 0.01258 0.00364 -0.00517 0.00213 0.00386 98 2PX 0.01896 0.01233 0.01593 -0.00629 0.01519 99 2PY -0.02173 -0.01612 -0.00070 0.00850 -0.01433 100 2PZ -0.01772 -0.00697 -0.01732 0.01320 -0.00991 101 3S -0.02646 -0.01132 0.00464 0.00096 -0.01278 102 3PX -0.04968 -0.03210 -0.05169 0.02090 -0.04291 103 3PY 0.05824 0.04204 0.00320 -0.02348 0.03479 104 3PZ 0.04830 0.01982 0.05032 -0.03800 0.02546 105 4S -0.03566 0.00821 0.00193 -0.00536 -0.01511 106 4PX -0.03583 -0.02271 -0.02339 0.01004 -0.02650 107 4PY 0.03592 0.01361 0.00049 -0.00923 0.01923 108 4PZ 0.02766 0.00897 0.02511 -0.02252 0.01377 109 5XX 0.00224 0.00061 -0.00022 0.00025 0.00113 110 5YY 0.00008 0.00006 0.00017 -0.00001 -0.00041 111 5ZZ 0.00181 -0.00043 0.00036 -0.00041 0.00104 112 5XY -0.00235 -0.00113 0.00213 -0.00014 -0.00042 113 5XZ -0.00245 -0.00108 0.00001 0.00015 -0.00127 114 5YZ 0.00258 0.00133 -0.00178 0.00025 0.00116 115 7 Br 1S 0.00033 0.00112 0.00592 0.00504 0.00181 116 2S -0.00253 -0.00633 -0.02800 -0.02518 -0.00976 117 3S 0.00330 0.00599 0.01823 0.01886 0.00852 118 4S 0.00750 0.01030 0.02703 0.03028 0.01462 119 5S 0.00872 -0.01658 0.00371 -0.00662 -0.00113 120 6S -0.05978 0.02441 0.00206 -0.00774 -0.02598 121 7PX 0.00298 0.00782 -0.00211 0.00437 0.00365 122 7PY -0.00250 0.00103 -0.00292 0.00140 -0.00053 123 7PZ 0.00084 0.00217 0.00466 0.00493 0.00016 124 8PX -0.01005 -0.02512 -0.01460 -0.02676 -0.00827 125 8PY 0.00746 -0.00411 0.01535 -0.00008 0.00229 126 8PZ -0.00416 -0.00808 -0.02371 -0.01952 0.00387 127 9PX 0.01874 0.04670 0.03462 0.05417 0.01383 128 9PY -0.01334 0.00817 -0.03083 -0.00163 -0.00437 129 9PZ 0.00917 0.01631 0.04688 0.03780 -0.00819 130 10PX 0.03074 0.03217 0.02443 0.04366 0.01785 131 10PY -0.00726 -0.00532 -0.02378 -0.00426 -0.00327 132 10PZ 0.00422 0.01083 0.03764 0.03320 -0.00823 133 11XX -0.00187 -0.00386 -0.00748 -0.00949 -0.00486 134 11YY -0.00082 -0.00246 -0.01417 -0.01181 -0.00381 135 11ZZ -0.00124 -0.00282 -0.01273 -0.01112 -0.00466 136 11XY 0.00079 0.00035 0.00030 0.00107 -0.00013 137 11XZ -0.00071 -0.00079 0.00150 -0.00071 -0.00122 138 11YZ 0.00039 -0.00027 0.00179 0.00093 -0.00037 139 12XX 0.00566 -0.00246 -0.00543 -0.00304 0.00064 140 12YY 0.00677 -0.00318 -0.00082 -0.00184 0.00133 141 12ZZ 0.00751 -0.00611 -0.00271 -0.00167 0.00187 142 12XY -0.00298 0.00200 0.00037 0.00026 -0.00161 143 12XZ 0.00253 0.00156 -0.00232 0.00068 0.00207 144 12YZ -0.00140 0.00029 -0.00192 -0.00124 -0.00026 145 8 Br 1S -0.00033 0.00112 0.00592 -0.00505 -0.00181 146 2S 0.00253 -0.00633 -0.02801 0.02518 0.00975 147 3S -0.00331 0.00600 0.01823 -0.01886 -0.00852 148 4S -0.00751 0.01030 0.02704 -0.03028 -0.01462 149 5S -0.00872 -0.01658 0.00371 0.00662 0.00113 150 6S 0.05977 0.02441 0.00207 0.00774 0.02597 151 7PX 0.00298 -0.00782 0.00211 0.00437 0.00365 152 7PY -0.00250 -0.00103 0.00292 0.00140 -0.00053 153 7PZ -0.00084 0.00217 0.00466 -0.00493 -0.00016 154 8PX -0.01005 0.02512 0.01460 -0.02676 -0.00827 155 8PY 0.00746 0.00411 -0.01534 -0.00008 0.00229 156 8PZ 0.00417 -0.00808 -0.02371 0.01952 -0.00387 157 9PX 0.01875 -0.04670 -0.03462 0.05416 0.01383 158 9PY -0.01333 -0.00817 0.03083 -0.00162 -0.00437 159 9PZ -0.00918 0.01631 0.04687 -0.03780 0.00819 160 10PX 0.03074 -0.03217 -0.02443 0.04366 0.01785 161 10PY -0.00725 0.00532 0.02378 -0.00426 -0.00326 162 10PZ -0.00422 0.01083 0.03764 -0.03321 0.00823 163 11XX 0.00187 -0.00386 -0.00748 0.00950 0.00485 164 11YY 0.00082 -0.00246 -0.01417 0.01181 0.00381 165 11ZZ 0.00124 -0.00282 -0.01273 0.01112 0.00466 166 11XY -0.00079 0.00035 0.00030 -0.00107 0.00013 167 11XZ -0.00071 0.00079 -0.00149 -0.00071 -0.00122 168 11YZ 0.00039 0.00027 -0.00179 0.00093 -0.00037 169 12XX -0.00566 -0.00246 -0.00543 0.00304 -0.00064 170 12YY -0.00677 -0.00318 -0.00082 0.00184 -0.00133 171 12ZZ -0.00750 -0.00611 -0.00271 0.00167 -0.00187 172 12XY 0.00298 0.00200 0.00037 -0.00026 0.00161 173 12XZ 0.00253 -0.00156 0.00232 0.00068 0.00207 174 12YZ -0.00140 -0.00029 0.00192 -0.00124 -0.00026 51 52 53 54 55 51 4PZ 0.18878 52 5XX -0.00169 0.00096 53 5YY -0.00632 0.00065 0.00132 54 5ZZ 0.01790 0.00023 -0.00009 0.00284 55 5XY -0.00258 0.00007 0.00015 -0.00019 0.00029 56 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 57 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4 Cl 1S -0.00132 -0.00004 0.00000 -0.00054 0.00001 59 2S 0.00710 0.00010 -0.00005 0.00223 -0.00005 60 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 61 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 62 2PZ -0.04468 -0.00225 -0.00014 0.00379 0.00109 63 3S -0.01862 0.00087 0.00133 -0.00419 0.00011 64 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 65 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 66 3PZ 0.11378 0.00645 0.00089 -0.00994 -0.00292 67 4S -0.02337 0.00162 0.00092 -0.00464 -0.00040 68 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 69 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 70 4PZ 0.06386 0.00258 -0.00015 -0.00269 -0.00140 71 5XX -0.00258 0.00003 0.00005 -0.00037 0.00008 72 5YY 0.00015 0.00005 0.00013 -0.00034 -0.00002 73 5ZZ 0.00269 -0.00037 -0.00034 0.00127 0.00001 74 5XY 0.00140 0.00008 -0.00002 0.00001 0.00002 75 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 5 Cl 1S -0.00013 -0.00006 0.00004 -0.00008 0.00000 78 2S 0.00032 0.00028 -0.00011 0.00034 -0.00007 79 2PX -0.01103 -0.00073 0.00198 -0.00054 -0.00089 80 2PY 0.00677 -0.00042 -0.00079 0.00113 0.00189 81 2PZ -0.00671 0.00079 0.00154 -0.00108 -0.00205 82 3S -0.00233 -0.00017 0.00044 -0.00063 0.00059 83 3PX 0.03090 0.00124 -0.00546 0.00117 0.00237 84 3PY -0.01714 0.00058 0.00197 -0.00325 -0.00479 85 3PZ 0.01543 -0.00198 -0.00418 0.00247 0.00536 86 4S 0.00358 -0.00003 -0.00042 0.00074 0.00115 87 4PX 0.01801 0.00053 -0.00285 0.00102 0.00119 88 4PY -0.00560 0.00023 0.00059 -0.00106 -0.00160 89 4PZ 0.00733 -0.00080 -0.00229 0.00119 0.00290 90 5XX 0.00014 -0.00004 0.00001 0.00005 0.00007 91 5YY 0.00008 0.00004 0.00000 -0.00004 -0.00033 92 5ZZ -0.00015 -0.00001 -0.00001 -0.00003 0.00009 93 5XY 0.00022 0.00009 -0.00016 -0.00012 0.00011 94 5XZ 0.00049 0.00000 0.00000 0.00002 -0.00003 95 5YZ -0.00039 -0.00011 -0.00010 0.00004 0.00019 96 6 Cl 1S -0.00013 -0.00006 0.00004 -0.00008 0.00000 97 2S 0.00032 0.00028 -0.00011 0.00034 -0.00007 98 2PX 0.01103 0.00073 -0.00197 0.00054 0.00090 99 2PY -0.00677 0.00042 0.00079 -0.00113 -0.00189 100 2PZ -0.00671 0.00079 0.00154 -0.00108 -0.00205 101 3S -0.00233 -0.00017 0.00044 -0.00063 0.00059 102 3PX -0.03090 -0.00124 0.00545 -0.00117 -0.00237 103 3PY 0.01714 -0.00059 -0.00197 0.00325 0.00479 104 3PZ 0.01544 -0.00198 -0.00418 0.00247 0.00536 105 4S 0.00358 -0.00003 -0.00042 0.00074 0.00115 106 4PX -0.01801 -0.00053 0.00285 -0.00102 -0.00120 107 4PY 0.00560 -0.00023 -0.00059 0.00106 0.00160 108 4PZ 0.00733 -0.00080 -0.00229 0.00119 0.00290 109 5XX 0.00014 -0.00004 0.00001 0.00005 0.00007 110 5YY 0.00008 0.00004 0.00000 -0.00004 -0.00033 111 5ZZ -0.00015 -0.00001 -0.00001 -0.00003 0.00009 112 5XY 0.00022 0.00009 -0.00016 -0.00012 0.00011 113 5XZ -0.00049 0.00000 0.00000 -0.00002 0.00003 114 5YZ 0.00039 0.00011 0.00010 -0.00004 -0.00019 115 7 Br 1S 0.00021 0.00009 -0.00050 -0.00019 0.00015 116 2S -0.00120 -0.00045 0.00243 0.00082 -0.00067 117 3S 0.00113 0.00036 -0.00169 -0.00043 0.00037 118 4S 0.00207 0.00064 -0.00265 -0.00058 0.00050 119 5S -0.00457 0.00024 0.00016 -0.00118 0.00051 120 6S 0.00834 -0.00217 0.00083 0.00181 -0.00041 121 7PX 0.00377 -0.00080 0.00090 0.00089 -0.00066 122 7PY -0.00007 -0.00062 0.00013 0.00009 0.00044 123 7PZ 0.00320 -0.00107 0.00037 0.00072 -0.00015 124 8PX -0.01543 0.00330 -0.00125 -0.00179 0.00179 125 8PY 0.00316 0.00089 -0.00092 -0.00074 -0.00116 126 8PZ -0.00706 0.00370 -0.00079 -0.00140 0.00061 127 9PX 0.02975 -0.00619 0.00176 0.00303 -0.00317 128 9PY -0.00674 -0.00124 0.00181 0.00151 0.00200 129 9PZ 0.01219 -0.00680 0.00130 0.00230 -0.00116 130 10PX 0.02174 -0.00422 0.00114 0.00202 -0.00234 131 10PY -0.00993 -0.00019 0.00121 0.00036 0.00185 132 10PZ 0.00875 -0.00564 0.00122 0.00179 -0.00112 133 11XX 0.00022 -0.00044 0.00087 0.00011 -0.00028 134 11YY -0.00128 -0.00010 0.00117 0.00045 -0.00025 135 11ZZ -0.00064 -0.00005 0.00100 0.00037 -0.00026 136 11XY 0.00000 -0.00010 0.00008 0.00002 0.00001 137 11XZ -0.00069 -0.00009 -0.00001 -0.00006 0.00000 138 11YZ -0.00003 -0.00014 -0.00009 -0.00010 -0.00001 139 12XX -0.00113 0.00045 0.00001 -0.00002 0.00016 140 12YY -0.00001 0.00010 0.00013 -0.00014 -0.00019 141 12ZZ -0.00183 0.00008 0.00033 -0.00027 0.00000 142 12XY 0.00092 0.00020 -0.00024 0.00009 -0.00008 143 12XZ 0.00051 0.00033 -0.00009 -0.00005 0.00004 144 12YZ -0.00005 0.00026 -0.00004 -0.00007 0.00001 145 8 Br 1S 0.00021 0.00009 -0.00050 -0.00019 0.00015 146 2S -0.00120 -0.00045 0.00243 0.00082 -0.00067 147 3S 0.00113 0.00036 -0.00169 -0.00043 0.00037 148 4S 0.00207 0.00064 -0.00265 -0.00058 0.00050 149 5S -0.00457 0.00024 0.00016 -0.00118 0.00051 150 6S 0.00834 -0.00217 0.00083 0.00181 -0.00041 151 7PX -0.00377 0.00080 -0.00090 -0.00089 0.00066 152 7PY 0.00007 0.00062 -0.00013 -0.00009 -0.00044 153 7PZ 0.00320 -0.00107 0.00037 0.00072 -0.00015 154 8PX 0.01543 -0.00330 0.00125 0.00179 -0.00179 155 8PY -0.00316 -0.00089 0.00092 0.00074 0.00115 156 8PZ -0.00706 0.00370 -0.00079 -0.00140 0.00061 157 9PX -0.02975 0.00619 -0.00176 -0.00303 0.00317 158 9PY 0.00674 0.00125 -0.00181 -0.00151 -0.00200 159 9PZ 0.01219 -0.00680 0.00130 0.00230 -0.00116 160 10PX -0.02174 0.00422 -0.00114 -0.00202 0.00234 161 10PY 0.00993 0.00019 -0.00121 -0.00036 -0.00185 162 10PZ 0.00875 -0.00564 0.00122 0.00179 -0.00112 163 11XX 0.00022 -0.00044 0.00087 0.00011 -0.00028 164 11YY -0.00128 -0.00010 0.00117 0.00045 -0.00025 165 11ZZ -0.00064 -0.00005 0.00100 0.00037 -0.00026 166 11XY 0.00000 -0.00010 0.00008 0.00002 0.00001 167 11XZ 0.00069 0.00009 0.00001 0.00006 0.00000 168 11YZ 0.00003 0.00014 0.00009 0.00010 0.00001 169 12XX -0.00113 0.00045 0.00001 -0.00002 0.00016 170 12YY -0.00001 0.00010 0.00013 -0.00014 -0.00019 171 12ZZ -0.00183 0.00008 0.00033 -0.00027 0.00000 172 12XY 0.00092 0.00020 -0.00024 0.00009 -0.00008 173 12XZ -0.00051 -0.00033 0.00009 0.00005 -0.00004 174 12YZ 0.00005 -0.00026 0.00004 0.00007 -0.00001 56 57 58 59 60 56 5XZ 0.00260 57 5YZ -0.00062 0.00127 58 4 Cl 1S 0.00000 0.00000 2.16061 59 2S 0.00000 0.00000 -0.61774 2.38929 60 2PX -0.00126 -0.00012 0.00000 0.00000 2.10576 61 2PY -0.00012 -0.00155 0.00000 0.00000 0.00753 62 2PZ 0.00000 0.00000 -0.00371 0.01575 0.00000 63 3S 0.00000 0.00000 0.04673 -0.44070 0.00000 64 3PX 0.00250 0.00045 0.00000 0.00000 -0.30523 65 3PY 0.00044 0.00364 0.00000 0.00000 -0.02004 66 3PZ 0.00000 0.00000 0.00990 -0.04259 0.00000 67 4S 0.00000 0.00000 0.07339 -0.30496 -0.00001 68 4PX 0.00091 -0.00009 0.00000 0.00000 -0.18815 69 4PY -0.00004 0.00093 0.00000 0.00000 -0.01765 70 4PZ 0.00000 0.00000 0.00360 -0.01729 0.00001 71 5XX 0.00000 0.00000 0.02378 -0.03103 0.00000 72 5YY 0.00000 0.00000 0.02213 -0.02332 0.00000 73 5ZZ 0.00000 0.00000 0.02336 -0.02922 0.00000 74 5XY 0.00000 0.00000 -0.00091 0.00425 0.00000 75 5XZ -0.00060 0.00009 0.00000 0.00000 0.01732 76 5YZ 0.00009 -0.00039 0.00000 0.00000 -0.00232 77 5 Cl 1S -0.00008 0.00012 -0.00004 0.00012 0.00054 78 2S 0.00033 -0.00060 0.00012 -0.00032 -0.00198 79 2PX 0.00050 -0.00150 -0.00085 0.00388 0.00219 80 2PY -0.00056 0.00096 0.00107 -0.00434 -0.00745 81 2PZ -0.00019 -0.00041 0.00113 -0.00515 -0.00516 82 3S -0.00127 0.00166 -0.00045 0.00177 0.00640 83 3PX -0.00107 0.00362 0.00222 -0.01065 -0.00586 84 3PY 0.00100 -0.00229 -0.00261 0.01060 0.01910 85 3PZ 0.00062 0.00107 -0.00291 0.01355 0.01350 86 4S -0.00023 0.00256 0.00140 -0.00541 -0.00696 87 4PX -0.00033 0.00142 0.00040 -0.00233 -0.00152 88 4PY 0.00012 -0.00009 -0.00056 0.00224 0.00593 89 4PZ 0.00074 0.00049 -0.00131 0.00634 0.00868 90 5XX -0.00010 -0.00004 0.00002 -0.00002 0.00046 91 5YY 0.00033 -0.00032 -0.00013 0.00052 -0.00002 92 5ZZ -0.00005 0.00001 0.00005 -0.00018 -0.00009 93 5XY -0.00017 0.00030 0.00005 -0.00026 0.00055 94 5XZ 0.00005 -0.00008 0.00000 0.00005 0.00022 95 5YZ -0.00015 0.00017 -0.00006 0.00029 -0.00076 96 6 Cl 1S 0.00008 -0.00012 -0.00004 0.00012 -0.00054 97 2S -0.00033 0.00060 0.00012 -0.00032 0.00198 98 2PX 0.00050 -0.00150 0.00085 -0.00388 0.00219 99 2PY -0.00056 0.00095 -0.00107 0.00434 -0.00745 100 2PZ 0.00019 0.00041 0.00113 -0.00515 0.00516 101 3S 0.00127 -0.00166 -0.00045 0.00177 -0.00640 102 3PX -0.00107 0.00362 -0.00222 0.01065 -0.00586 103 3PY 0.00100 -0.00229 0.00261 -0.01060 0.01910 104 3PZ -0.00062 -0.00107 -0.00291 0.01355 -0.01350 105 4S 0.00023 -0.00256 0.00140 -0.00541 0.00697 106 4PX -0.00033 0.00142 -0.00040 0.00233 -0.00152 107 4PY 0.00012 -0.00009 0.00056 -0.00224 0.00593 108 4PZ -0.00074 -0.00049 -0.00131 0.00634 -0.00869 109 5XX 0.00010 0.00004 0.00002 -0.00002 -0.00046 110 5YY -0.00033 0.00032 -0.00013 0.00052 0.00002 111 5ZZ 0.00005 -0.00001 0.00005 -0.00018 0.00009 112 5XY 0.00017 -0.00030 0.00005 -0.00026 -0.00055 113 5XZ 0.00005 -0.00008 0.00000 -0.00005 0.00022 114 5YZ -0.00015 0.00017 0.00006 -0.00029 -0.00076 115 7 Br 1S 0.00036 0.00011 -0.00001 -0.00029 -0.00056 116 2S -0.00192 -0.00054 -0.00005 0.00161 0.00394 117 3S 0.00163 0.00041 0.00018 -0.00151 -0.00497 118 4S 0.00285 0.00073 0.00019 -0.00208 -0.00896 119 5S -0.00114 0.00073 -0.00094 0.00383 0.01165 120 6S -0.00278 -0.00326 0.00260 -0.00987 -0.00209 121 7PX -0.00100 -0.00035 0.00058 -0.00212 -0.00511 122 7PY 0.00006 0.00011 0.00009 -0.00034 -0.00138 123 7PZ -0.00009 -0.00013 -0.00046 0.00195 0.00316 124 8PX 0.00221 0.00101 -0.00175 0.00740 0.01564 125 8PY -0.00021 -0.00031 -0.00029 0.00073 0.00446 126 8PZ 0.00016 0.00053 0.00139 -0.00638 -0.00976 127 9PX -0.00357 -0.00184 0.00321 -0.01398 -0.02919 128 9PY 0.00047 0.00051 0.00040 -0.00065 -0.00810 129 9PZ -0.00020 -0.00098 -0.00258 0.01196 0.01831 130 10PX -0.00197 -0.00076 0.00127 -0.00579 -0.02174 131 10PY 0.00073 0.00086 0.00025 -0.00029 -0.00470 132 10PZ 0.00016 -0.00103 -0.00185 0.00885 0.01694 133 11XX -0.00099 -0.00024 -0.00008 0.00051 0.00280 134 11YY -0.00082 -0.00020 -0.00012 0.00098 0.00166 135 11ZZ -0.00078 -0.00024 -0.00018 0.00119 0.00246 136 11XY -0.00015 0.00004 0.00009 -0.00036 -0.00011 137 11XZ -0.00009 -0.00001 -0.00001 0.00008 -0.00087 138 11YZ -0.00003 0.00001 -0.00001 0.00013 -0.00031 139 12XX 0.00051 0.00040 -0.00042 0.00177 0.00074 140 12YY -0.00009 0.00025 -0.00034 0.00134 0.00205 141 12ZZ -0.00012 0.00037 -0.00036 0.00147 0.00137 142 12XY 0.00043 -0.00018 -0.00004 0.00009 -0.00074 143 12XZ 0.00021 0.00009 0.00019 -0.00075 0.00098 144 12YZ 0.00004 -0.00001 0.00005 -0.00033 -0.00018 145 8 Br 1S -0.00036 -0.00011 -0.00001 -0.00029 0.00056 146 2S 0.00192 0.00054 -0.00005 0.00161 -0.00395 147 3S -0.00163 -0.00041 0.00018 -0.00151 0.00497 148 4S -0.00285 -0.00073 0.00019 -0.00208 0.00896 149 5S 0.00114 -0.00073 -0.00094 0.00383 -0.01165 150 6S 0.00278 0.00326 0.00260 -0.00987 0.00208 151 7PX -0.00100 -0.00035 -0.00058 0.00212 -0.00510 152 7PY 0.00006 0.00011 -0.00009 0.00034 -0.00138 153 7PZ 0.00009 0.00013 -0.00046 0.00195 -0.00316 154 8PX 0.00221 0.00101 0.00175 -0.00740 0.01564 155 8PY -0.00021 -0.00031 0.00029 -0.00073 0.00446 156 8PZ -0.00016 -0.00053 0.00139 -0.00638 0.00976 157 9PX -0.00357 -0.00184 -0.00320 0.01398 -0.02919 158 9PY 0.00047 0.00051 -0.00040 0.00065 -0.00810 159 9PZ 0.00020 0.00098 -0.00258 0.01196 -0.01831 160 10PX -0.00197 -0.00076 -0.00127 0.00579 -0.02174 161 10PY 0.00073 0.00086 -0.00025 0.00029 -0.00470 162 10PZ -0.00016 0.00103 -0.00185 0.00885 -0.01694 163 11XX 0.00099 0.00024 -0.00008 0.00051 -0.00280 164 11YY 0.00082 0.00020 -0.00012 0.00098 -0.00166 165 11ZZ 0.00078 0.00024 -0.00018 0.00119 -0.00246 166 11XY 0.00015 -0.00004 0.00009 -0.00036 0.00011 167 11XZ -0.00009 -0.00001 0.00001 -0.00008 -0.00087 168 11YZ -0.00003 0.00001 0.00001 -0.00013 -0.00031 169 12XX -0.00051 -0.00040 -0.00042 0.00177 -0.00074 170 12YY 0.00009 -0.00025 -0.00034 0.00134 -0.00205 171 12ZZ 0.00012 -0.00037 -0.00036 0.00147 -0.00137 172 12XY -0.00043 0.00018 -0.00004 0.00009 0.00074 173 12XZ 0.00021 0.00009 -0.00019 0.00075 0.00098 174 12YZ 0.00004 -0.00001 -0.00005 0.00033 -0.00018 61 62 63 64 65 61 2PY 2.12181 62 2PZ 0.00000 2.10827 63 3S 0.00000 -0.04386 1.20754 64 3PX -0.02006 0.00000 0.00001 0.93677 65 3PY -0.34789 0.00000 0.00000 0.05074 1.04423 66 3PZ 0.00000 -0.31168 0.11153 -0.00001 0.00000 67 4S 0.00000 -0.02270 0.52020 0.00003 -0.00001 68 4PX -0.01750 0.00001 0.00001 0.40910 0.05369 69 4PY -0.22507 0.00000 0.00000 0.05416 0.52387 70 4PZ 0.00000 -0.18312 0.06223 -0.00002 0.00000 71 5XX 0.00000 -0.00195 -0.00493 -0.00001 0.00000 72 5YY 0.00000 -0.00602 -0.01976 0.00000 0.00000 73 5ZZ 0.00000 0.01536 -0.01010 0.00000 0.00000 74 5XY 0.00000 -0.00227 -0.00828 0.00000 0.00000 75 5XZ -0.00233 0.00000 0.00000 -0.04548 0.00610 76 5YZ 0.01244 0.00000 0.00000 0.00607 -0.03280 77 5 Cl 1S -0.00106 -0.00039 -0.00042 -0.00137 0.00274 78 2S 0.00466 0.00162 0.00153 0.00558 -0.01258 79 2PX -0.00713 -0.00454 -0.00842 -0.00584 0.01896 80 2PY 0.00812 0.00603 0.01231 0.01979 -0.02174 81 2PZ 0.00640 0.00243 0.01150 0.01359 -0.01772 82 3S -0.01103 -0.00451 -0.00241 -0.01462 0.02646 83 3PX 0.01878 0.01179 0.02069 0.01492 -0.04968 84 3PY -0.02139 -0.01543 -0.03021 -0.05070 0.05825 85 3PZ -0.01721 -0.00661 -0.02894 -0.03476 0.04830 86 4S -0.00899 0.00236 0.00753 0.00751 0.03566 87 4PX 0.01260 0.00842 0.00656 0.00803 -0.03583 88 4PY -0.01324 -0.00554 -0.00869 -0.02042 0.03593 89 4PZ -0.01052 -0.00405 -0.01518 -0.02553 0.02767 90 5XX 0.00065 0.00039 0.00048 -0.00039 -0.00224 91 5YY -0.00011 0.00030 -0.00168 0.00013 -0.00008 92 5ZZ 0.00046 -0.00003 0.00098 0.00091 -0.00181 93 5XY -0.00100 -0.00055 0.00085 -0.00108 0.00235 94 5XZ -0.00088 -0.00037 -0.00015 -0.00070 0.00245 95 5YZ 0.00103 0.00053 -0.00083 0.00166 -0.00258 96 6 Cl 1S 0.00106 -0.00039 -0.00042 0.00137 -0.00274 97 2S -0.00466 0.00162 0.00153 -0.00558 0.01258 98 2PX -0.00713 0.00454 0.00842 -0.00584 0.01896 99 2PY 0.00812 -0.00603 -0.01231 0.01979 -0.02173 100 2PZ -0.00640 0.00243 0.01150 -0.01360 0.01772 101 3S 0.01103 -0.00451 -0.00241 0.01462 -0.02646 102 3PX 0.01879 -0.01179 -0.02070 0.01493 -0.04969 103 3PY -0.02139 0.01543 0.03021 -0.05070 0.05824 104 3PZ 0.01721 -0.00661 -0.02894 0.03476 -0.04830 105 4S 0.00899 0.00236 0.00752 -0.00752 -0.03566 106 4PX 0.01261 -0.00843 -0.00656 0.00803 -0.03583 107 4PY -0.01324 0.00553 0.00869 -0.02042 0.03592 108 4PZ 0.01052 -0.00405 -0.01518 0.02553 -0.02767 109 5XX -0.00065 0.00039 0.00048 0.00039 0.00224 110 5YY 0.00011 0.00030 -0.00168 -0.00013 0.00008 111 5ZZ -0.00046 -0.00003 0.00098 -0.00091 0.00181 112 5XY 0.00100 -0.00055 0.00085 0.00108 -0.00235 113 5XZ -0.00088 0.00037 0.00015 -0.00070 0.00245 114 5YZ 0.00103 -0.00053 0.00083 0.00166 -0.00258 115 7 Br 1S -0.00018 0.00036 -0.00082 0.00111 0.00033 116 2S 0.00131 -0.00193 0.00375 -0.00814 -0.00253 117 3S -0.00168 0.00161 -0.00224 0.01047 0.00330 118 4S -0.00321 0.00380 -0.00314 0.02119 0.00750 119 5S -0.00275 -0.00499 -0.00332 -0.01835 0.00872 120 6S 0.02044 0.00358 0.00875 -0.02974 -0.05977 121 7PX -0.00114 0.00294 0.00694 0.01385 0.00298 122 7PY 0.00092 0.00047 0.00127 0.00352 -0.00250 123 7PZ 0.00030 -0.00081 -0.00494 -0.00866 -0.00084 124 8PX 0.00369 -0.00929 -0.01910 -0.04172 -0.01005 125 8PY -0.00280 -0.00160 -0.00451 -0.01203 0.00746 126 8PZ -0.00123 0.00276 0.01425 0.02653 0.00416 127 9PX -0.00663 0.01701 0.03352 0.07676 0.01874 128 9PY 0.00510 0.00295 0.00750 0.02250 -0.01334 129 9PZ 0.00245 -0.00530 -0.02559 -0.04951 -0.00917 130 10PX -0.01241 0.01247 0.01895 0.06622 0.03073 131 10PY 0.00240 -0.00150 0.00418 0.01306 -0.00726 132 10PZ 0.00211 -0.00462 -0.02102 -0.04724 -0.00422 133 11XX 0.00098 -0.00102 0.00185 -0.00560 -0.00187 134 11YY 0.00059 -0.00045 0.00173 -0.00272 -0.00082 135 11ZZ 0.00076 -0.00057 0.00083 -0.00492 -0.00124 136 11XY -0.00031 0.00009 0.00110 0.00042 0.00079 137 11XZ -0.00028 0.00032 -0.00008 0.00222 0.00071 138 11YZ 0.00014 0.00012 -0.00004 0.00079 -0.00039 139 12XX -0.00148 0.00073 -0.00181 0.00281 0.00566 140 12YY -0.00216 0.00023 0.00035 0.00099 0.00677 141 12ZZ -0.00246 -0.00089 0.00059 0.00261 0.00750 142 12XY 0.00144 0.00089 -0.00099 0.00112 -0.00298 143 12XZ 0.00076 -0.00043 0.00164 -0.00289 -0.00253 144 12YZ -0.00064 -0.00017 0.00120 0.00133 0.00140 145 8 Br 1S 0.00018 0.00036 -0.00082 -0.00111 -0.00033 146 2S -0.00131 -0.00193 0.00375 0.00814 0.00253 147 3S 0.00168 0.00161 -0.00224 -0.01047 -0.00330 148 4S 0.00321 0.00380 -0.00315 -0.02119 -0.00751 149 5S 0.00275 -0.00499 -0.00332 0.01834 -0.00872 150 6S -0.02044 0.00358 0.00875 0.02975 0.05978 151 7PX -0.00114 -0.00294 -0.00694 0.01385 0.00298 152 7PY 0.00092 -0.00047 -0.00127 0.00352 -0.00250 153 7PZ -0.00030 -0.00081 -0.00494 0.00866 0.00084 154 8PX 0.00370 0.00929 0.01909 -0.04171 -0.01006 155 8PY -0.00280 0.00161 0.00451 -0.01204 0.00746 156 8PZ 0.00123 0.00276 0.01425 -0.02653 -0.00417 157 9PX -0.00663 -0.01701 -0.03352 0.07675 0.01875 158 9PY 0.00509 -0.00296 -0.00751 0.02251 -0.01334 159 9PZ -0.00245 -0.00530 -0.02560 0.04951 0.00918 160 10PX -0.01242 -0.01247 -0.01895 0.06622 0.03074 161 10PY 0.00240 0.00150 -0.00418 0.01307 -0.00725 162 10PZ -0.00211 -0.00462 -0.02102 0.04724 0.00422 163 11XX -0.00098 -0.00102 0.00185 0.00560 0.00187 164 11YY -0.00059 -0.00045 0.00173 0.00272 0.00082 165 11ZZ -0.00076 -0.00057 0.00083 0.00492 0.00124 166 11XY 0.00031 0.00009 0.00110 -0.00042 -0.00079 167 11XZ -0.00028 -0.00032 0.00008 0.00222 0.00071 168 11YZ 0.00014 -0.00012 0.00004 0.00079 -0.00039 169 12XX 0.00148 0.00073 -0.00181 -0.00282 -0.00566 170 12YY 0.00216 0.00023 0.00035 -0.00099 -0.00677 171 12ZZ 0.00246 -0.00089 0.00059 -0.00262 -0.00751 172 12XY -0.00144 0.00089 -0.00099 -0.00112 0.00298 173 12XZ 0.00076 0.00043 -0.00164 -0.00289 -0.00253 174 12YZ -0.00064 0.00017 -0.00120 0.00133 0.00140 66 67 68 69 70 66 3PZ 0.94794 67 4S 0.06336 0.24976 68 4PX -0.00002 0.00001 0.18563 69 4PY 0.00000 0.00000 0.03834 0.26718 70 4PZ 0.41825 0.02678 -0.00002 0.00000 0.18878 71 5XX 0.00427 -0.00077 0.00000 0.00000 0.00169 72 5YY 0.01512 -0.00677 0.00000 0.00000 0.00632 73 5ZZ -0.04172 -0.00390 0.00000 0.00000 -0.01790 74 5XY 0.00599 -0.00345 0.00000 0.00000 0.00258 75 5XZ 0.00000 0.00000 -0.01899 0.00151 0.00000 76 5YZ 0.00000 0.00000 0.00155 -0.01588 0.00000 77 5 Cl 1S 0.00091 0.00134 0.00049 0.00071 0.00013 78 2S -0.00364 -0.00517 -0.00213 -0.00386 -0.00032 79 2PX 0.01233 -0.01593 -0.00628 0.01519 0.01103 80 2PY -0.01612 0.00070 0.00850 -0.01433 -0.00677 81 2PZ -0.00697 0.01732 0.01320 -0.00991 -0.00671 82 3S 0.01132 0.00464 -0.00096 0.01278 0.00233 83 3PX -0.03210 0.05169 0.02089 -0.04291 -0.03090 84 3PY 0.04205 -0.00320 -0.02348 0.03480 0.01714 85 3PZ 0.01982 -0.05031 -0.03800 0.02547 0.01544 86 4S -0.00821 0.00193 0.00536 0.01511 -0.00358 87 4PX -0.02271 0.02339 0.01003 -0.02649 -0.01801 88 4PY 0.01361 -0.00049 -0.00923 0.01923 0.00560 89 4PZ 0.00897 -0.02511 -0.02252 0.01377 0.00733 90 5XX -0.00061 -0.00022 -0.00025 -0.00113 -0.00014 91 5YY -0.00006 0.00017 0.00001 0.00041 -0.00008 92 5ZZ 0.00043 0.00036 0.00041 -0.00104 0.00015 93 5XY 0.00113 0.00213 0.00014 0.00042 -0.00022 94 5XZ 0.00108 0.00001 -0.00015 0.00127 0.00049 95 5YZ -0.00133 -0.00178 -0.00025 -0.00116 -0.00039 96 6 Cl 1S 0.00091 0.00134 -0.00049 -0.00071 0.00013 97 2S -0.00364 -0.00517 0.00213 0.00386 -0.00032 98 2PX -0.01233 0.01593 -0.00629 0.01519 -0.01103 99 2PY 0.01612 -0.00070 0.00850 -0.01433 0.00677 100 2PZ -0.00697 0.01732 -0.01320 0.00991 -0.00671 101 3S 0.01132 0.00464 0.00096 -0.01278 0.00233 102 3PX 0.03210 -0.05170 0.02090 -0.04291 0.03090 103 3PY -0.04204 0.00319 -0.02348 0.03479 -0.01713 104 3PZ 0.01983 -0.05032 0.03800 -0.02547 0.01544 105 4S -0.00821 0.00193 -0.00536 -0.01512 -0.00358 106 4PX 0.02271 -0.02339 0.01004 -0.02650 0.01801 107 4PY -0.01361 0.00048 -0.00923 0.01923 -0.00560 108 4PZ 0.00898 -0.02511 0.02252 -0.01377 0.00733 109 5XX -0.00061 -0.00022 0.00025 0.00113 -0.00014 110 5YY -0.00006 0.00017 -0.00001 -0.00041 -0.00008 111 5ZZ 0.00043 0.00036 -0.00041 0.00104 0.00015 112 5XY 0.00113 0.00213 -0.00014 -0.00042 -0.00022 113 5XZ -0.00108 -0.00001 -0.00015 0.00127 -0.00049 114 5YZ 0.00133 0.00178 -0.00025 -0.00116 0.00039 115 7 Br 1S -0.00112 0.00592 0.00504 0.00181 -0.00021 116 2S 0.00633 -0.02800 -0.02518 -0.00975 0.00120 117 3S -0.00599 0.01823 0.01886 0.00852 -0.00113 118 4S -0.01030 0.02704 0.03028 0.01461 -0.00207 119 5S 0.01658 0.00371 -0.00662 -0.00113 0.00457 120 6S -0.02441 0.00207 -0.00774 -0.02598 -0.00834 121 7PX -0.00782 -0.00211 0.00437 0.00365 -0.00377 122 7PY -0.00103 -0.00292 0.00140 -0.00053 0.00007 123 7PZ 0.00217 -0.00466 -0.00493 -0.00016 0.00320 124 8PX 0.02512 -0.01460 -0.02676 -0.00826 0.01543 125 8PY 0.00411 0.01534 -0.00008 0.00229 -0.00316 126 8PZ -0.00808 0.02371 0.01952 -0.00387 -0.00706 127 9PX -0.04670 0.03462 0.05416 0.01382 -0.02975 128 9PY -0.00817 -0.03083 -0.00163 -0.00437 0.00674 129 9PZ 0.01631 -0.04688 -0.03780 0.00819 0.01219 130 10PX -0.03217 0.02443 0.04366 0.01785 -0.02174 131 10PY 0.00532 -0.02378 -0.00426 -0.00327 0.00993 132 10PZ 0.01083 -0.03764 -0.03320 0.00823 0.00875 133 11XX 0.00386 -0.00748 -0.00949 -0.00485 -0.00022 134 11YY 0.00246 -0.01417 -0.01181 -0.00381 0.00128 135 11ZZ 0.00282 -0.01273 -0.01112 -0.00466 0.00064 136 11XY -0.00035 0.00030 0.00107 -0.00013 0.00000 137 11XZ -0.00079 -0.00150 0.00071 0.00122 -0.00069 138 11YZ -0.00027 -0.00179 -0.00093 0.00037 -0.00003 139 12XX 0.00246 -0.00543 -0.00304 0.00064 0.00113 140 12YY 0.00318 -0.00082 -0.00184 0.00133 0.00001 141 12ZZ 0.00611 -0.00271 -0.00167 0.00187 0.00183 142 12XY -0.00200 0.00037 0.00026 -0.00161 -0.00092 143 12XZ 0.00156 0.00232 -0.00068 -0.00207 0.00051 144 12YZ 0.00029 0.00192 0.00124 0.00026 -0.00005 145 8 Br 1S -0.00112 0.00592 -0.00505 -0.00181 -0.00021 146 2S 0.00633 -0.02801 0.02518 0.00976 0.00120 147 3S -0.00599 0.01823 -0.01886 -0.00852 -0.00113 148 4S -0.01030 0.02704 -0.03028 -0.01462 -0.00207 149 5S 0.01658 0.00371 0.00662 0.00113 0.00457 150 6S -0.02441 0.00207 0.00775 0.02598 -0.00834 151 7PX 0.00782 0.00211 0.00437 0.00365 0.00377 152 7PY 0.00103 0.00292 0.00140 -0.00053 -0.00007 153 7PZ 0.00217 -0.00466 0.00493 0.00016 0.00320 154 8PX -0.02512 0.01460 -0.02676 -0.00827 -0.01543 155 8PY -0.00411 -0.01534 -0.00008 0.00229 0.00316 156 8PZ -0.00808 0.02371 -0.01953 0.00386 -0.00706 157 9PX 0.04670 -0.03462 0.05416 0.01383 0.02975 158 9PY 0.00817 0.03083 -0.00162 -0.00437 -0.00674 159 9PZ 0.01631 -0.04687 0.03780 -0.00819 0.01219 160 10PX 0.03217 -0.02443 0.04366 0.01786 0.02174 161 10PY -0.00532 0.02378 -0.00425 -0.00326 -0.00993 162 10PZ 0.01083 -0.03764 0.03321 -0.00822 0.00875 163 11XX 0.00386 -0.00748 0.00949 0.00486 -0.00022 164 11YY 0.00246 -0.01417 0.01181 0.00381 0.00128 165 11ZZ 0.00282 -0.01273 0.01112 0.00466 0.00064 166 11XY -0.00035 0.00030 -0.00107 0.00013 0.00000 167 11XZ 0.00079 0.00150 0.00071 0.00122 0.00069 168 11YZ 0.00027 0.00179 -0.00093 0.00037 0.00003 169 12XX 0.00246 -0.00543 0.00304 -0.00064 0.00113 170 12YY 0.00318 -0.00082 0.00184 -0.00133 0.00001 171 12ZZ 0.00611 -0.00271 0.00167 -0.00187 0.00183 172 12XY -0.00200 0.00037 -0.00026 0.00161 -0.00092 173 12XZ -0.00156 -0.00232 -0.00068 -0.00207 -0.00051 174 12YZ -0.00029 -0.00192 0.00124 0.00026 0.00005 71 72 73 74 75 71 5XX 0.00096 72 5YY 0.00065 0.00132 73 5ZZ 0.00023 -0.00009 0.00284 74 5XY 0.00007 0.00015 -0.00019 0.00029 75 5XZ 0.00000 0.00000 0.00000 0.00000 0.00260 76 5YZ 0.00000 0.00000 0.00000 0.00000 -0.00062 77 5 Cl 1S -0.00006 0.00004 -0.00008 0.00000 0.00008 78 2S 0.00028 -0.00011 0.00034 -0.00007 -0.00033 79 2PX -0.00073 0.00197 -0.00054 -0.00090 -0.00050 80 2PY -0.00042 -0.00079 0.00113 0.00189 0.00056 81 2PZ -0.00079 -0.00154 0.00108 0.00205 -0.00019 82 3S -0.00017 0.00044 -0.00063 0.00059 0.00127 83 3PX 0.00124 -0.00545 0.00117 0.00237 0.00107 84 3PY 0.00058 0.00197 -0.00325 -0.00479 -0.00100 85 3PZ 0.00198 0.00418 -0.00247 -0.00536 0.00062 86 4S -0.00003 -0.00042 0.00074 0.00115 0.00023 87 4PX 0.00053 -0.00285 0.00102 0.00120 0.00033 88 4PY 0.00023 0.00059 -0.00106 -0.00160 -0.00012 89 4PZ 0.00080 0.00229 -0.00119 -0.00290 0.00074 90 5XX -0.00004 0.00001 0.00005 0.00007 0.00010 91 5YY 0.00004 0.00000 -0.00004 -0.00033 -0.00033 92 5ZZ -0.00001 -0.00001 -0.00003 0.00009 0.00005 93 5XY 0.00009 -0.00016 -0.00012 0.00011 0.00017 94 5XZ 0.00000 0.00000 -0.00002 0.00003 0.00005 95 5YZ 0.00011 0.00010 -0.00004 -0.00019 -0.00015 96 6 Cl 1S -0.00006 0.00004 -0.00008 0.00000 -0.00008 97 2S 0.00028 -0.00011 0.00034 -0.00007 0.00033 98 2PX 0.00073 -0.00197 0.00054 0.00090 -0.00050 99 2PY 0.00042 0.00079 -0.00113 -0.00189 0.00056 100 2PZ -0.00079 -0.00154 0.00108 0.00205 0.00019 101 3S -0.00017 0.00044 -0.00063 0.00059 -0.00127 102 3PX -0.00124 0.00546 -0.00117 -0.00237 0.00107 103 3PY -0.00059 -0.00197 0.00325 0.00479 -0.00100 104 3PZ 0.00198 0.00418 -0.00247 -0.00536 -0.00062 105 4S -0.00003 -0.00042 0.00074 0.00115 -0.00023 106 4PX -0.00053 0.00285 -0.00102 -0.00120 0.00033 107 4PY -0.00023 -0.00059 0.00106 0.00160 -0.00012 108 4PZ 0.00080 0.00229 -0.00119 -0.00290 -0.00074 109 5XX -0.00004 0.00001 0.00005 0.00007 -0.00010 110 5YY 0.00004 0.00000 -0.00004 -0.00033 0.00033 111 5ZZ -0.00001 -0.00001 -0.00003 0.00009 -0.00005 112 5XY 0.00009 -0.00016 -0.00012 0.00011 -0.00017 113 5XZ 0.00000 0.00000 0.00002 -0.00003 0.00005 114 5YZ -0.00011 -0.00010 0.00004 0.00019 -0.00015 115 7 Br 1S 0.00009 -0.00050 -0.00019 0.00015 -0.00036 116 2S -0.00045 0.00243 0.00082 -0.00067 0.00192 117 3S 0.00036 -0.00169 -0.00043 0.00037 -0.00163 118 4S 0.00064 -0.00265 -0.00058 0.00050 -0.00285 119 5S 0.00024 0.00016 -0.00118 0.00051 0.00114 120 6S -0.00216 0.00083 0.00181 -0.00041 0.00278 121 7PX -0.00080 0.00090 0.00089 -0.00066 0.00100 122 7PY -0.00062 0.00013 0.00009 0.00044 -0.00006 123 7PZ 0.00107 -0.00037 -0.00072 0.00015 -0.00009 124 8PX 0.00330 -0.00125 -0.00179 0.00178 -0.00221 125 8PY 0.00089 -0.00092 -0.00074 -0.00116 0.00021 126 8PZ -0.00370 0.00079 0.00140 -0.00061 0.00016 127 9PX -0.00619 0.00176 0.00303 -0.00317 0.00357 128 9PY -0.00124 0.00181 0.00151 0.00200 -0.00047 129 9PZ 0.00680 -0.00130 -0.00230 0.00116 -0.00020 130 10PX -0.00422 0.00114 0.00202 -0.00234 0.00197 131 10PY -0.00019 0.00121 0.00036 0.00185 -0.00073 132 10PZ 0.00564 -0.00122 -0.00179 0.00112 0.00016 133 11XX -0.00044 0.00087 0.00011 -0.00028 0.00099 134 11YY -0.00010 0.00117 0.00045 -0.00025 0.00082 135 11ZZ -0.00005 0.00100 0.00037 -0.00026 0.00078 136 11XY -0.00010 0.00008 0.00002 0.00001 0.00015 137 11XZ 0.00009 0.00001 0.00006 0.00000 -0.00009 138 11YZ 0.00014 0.00009 0.00010 0.00001 -0.00003 139 12XX 0.00045 0.00001 -0.00002 0.00016 -0.00051 140 12YY 0.00010 0.00013 -0.00014 -0.00019 0.00009 141 12ZZ 0.00008 0.00033 -0.00027 0.00000 0.00012 142 12XY 0.00020 -0.00024 0.00009 -0.00008 -0.00043 143 12XZ -0.00033 0.00009 0.00005 -0.00004 0.00021 144 12YZ -0.00026 0.00004 0.00007 -0.00001 0.00004 145 8 Br 1S 0.00009 -0.00050 -0.00019 0.00015 0.00036 146 2S -0.00045 0.00243 0.00082 -0.00067 -0.00192 147 3S 0.00036 -0.00169 -0.00043 0.00037 0.00163 148 4S 0.00064 -0.00265 -0.00058 0.00050 0.00285 149 5S 0.00024 0.00016 -0.00118 0.00051 -0.00114 150 6S -0.00217 0.00083 0.00181 -0.00041 -0.00278 151 7PX 0.00080 -0.00090 -0.00089 0.00066 0.00100 152 7PY 0.00062 -0.00013 -0.00009 -0.00044 -0.00006 153 7PZ 0.00107 -0.00037 -0.00072 0.00015 0.00009 154 8PX -0.00330 0.00125 0.00179 -0.00179 -0.00221 155 8PY -0.00089 0.00092 0.00074 0.00115 0.00021 156 8PZ -0.00370 0.00079 0.00140 -0.00061 -0.00016 157 9PX 0.00619 -0.00176 -0.00303 0.00317 0.00357 158 9PY 0.00125 -0.00181 -0.00151 -0.00200 -0.00047 159 9PZ 0.00680 -0.00130 -0.00230 0.00116 0.00020 160 10PX 0.00422 -0.00114 -0.00202 0.00234 0.00197 161 10PY 0.00019 -0.00121 -0.00036 -0.00185 -0.00073 162 10PZ 0.00564 -0.00122 -0.00179 0.00112 -0.00016 163 11XX -0.00044 0.00087 0.00011 -0.00028 -0.00099 164 11YY -0.00010 0.00117 0.00045 -0.00025 -0.00082 165 11ZZ -0.00005 0.00100 0.00037 -0.00026 -0.00078 166 11XY -0.00010 0.00008 0.00002 0.00001 -0.00015 167 11XZ -0.00009 -0.00001 -0.00006 0.00000 -0.00009 168 11YZ -0.00014 -0.00009 -0.00010 -0.00001 -0.00003 169 12XX 0.00045 0.00001 -0.00002 0.00016 0.00051 170 12YY 0.00010 0.00013 -0.00014 -0.00019 -0.00009 171 12ZZ 0.00008 0.00033 -0.00027 0.00000 -0.00012 172 12XY 0.00020 -0.00024 0.00009 -0.00008 0.00043 173 12XZ 0.00033 -0.00009 -0.00005 0.00004 0.00021 174 12YZ 0.00026 -0.00004 -0.00007 0.00001 0.00004 76 77 78 79 80 76 5YZ 0.00127 77 5 Cl 1S -0.00012 2.16060 78 2S 0.00060 -0.61775 2.38949 79 2PX 0.00150 -0.00048 0.00223 2.11893 80 2PY -0.00095 0.00397 -0.01831 0.00242 2.09615 81 2PZ -0.00041 0.00000 0.00000 0.00000 0.00000 82 3S -0.00166 0.04671 -0.44152 -0.00453 0.04152 83 3PX -0.00362 0.00134 -0.00674 -0.33913 -0.00669 84 3PY 0.00229 -0.01090 0.05018 -0.00670 -0.27625 85 3PZ 0.00107 0.00000 0.00000 0.00000 0.00000 86 4S -0.00256 0.07191 -0.29794 -0.01021 0.06253 87 4PX -0.00142 -0.00001 -0.00106 -0.22391 -0.00882 88 4PY 0.00009 -0.00519 0.02649 -0.00965 -0.13889 89 4PZ 0.00049 0.00000 0.00000 0.00000 0.00000 90 5XX 0.00004 0.02218 -0.02381 0.00206 0.00543 91 5YY 0.00032 0.02392 -0.03192 -0.00056 -0.01711 92 5ZZ -0.00001 0.02224 -0.02408 -0.00084 0.00522 93 5XY -0.00030 -0.00025 0.00113 -0.01215 0.00172 94 5XZ -0.00008 0.00000 0.00000 0.00000 0.00000 95 5YZ 0.00017 0.00000 0.00000 0.00000 0.00000 96 6 Cl 1S 0.00012 -0.00002 0.00004 -0.00012 0.00017 97 2S -0.00060 0.00004 -0.00007 0.00044 -0.00081 98 2PX 0.00150 0.00012 -0.00044 0.00027 -0.00061 99 2PY -0.00095 -0.00017 0.00081 -0.00061 0.00150 100 2PZ 0.00041 0.00000 0.00000 0.00000 0.00000 101 3S 0.00166 -0.00023 0.00088 -0.00161 0.00173 102 3PX -0.00362 -0.00031 0.00094 -0.00091 0.00156 103 3PY 0.00229 0.00044 -0.00206 0.00172 -0.00390 104 3PZ -0.00107 0.00000 0.00000 0.00000 0.00000 105 4S 0.00256 0.00064 -0.00199 0.00005 0.00261 106 4PX -0.00142 -0.00034 0.00137 0.00025 0.00151 107 4PY 0.00009 0.00022 -0.00117 0.00111 -0.00335 108 4PZ -0.00049 0.00000 0.00000 0.00000 0.00000 109 5XX -0.00004 -0.00005 0.00012 0.00001 -0.00008 110 5YY -0.00032 -0.00006 0.00020 -0.00010 0.00000 111 5ZZ 0.00001 -0.00004 0.00010 0.00001 -0.00020 112 5XY 0.00030 -0.00001 0.00005 -0.00007 0.00019 113 5XZ -0.00008 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00017 0.00000 0.00000 0.00000 0.00000 115 7 Br 1S -0.00011 0.00002 0.00012 -0.00034 -0.00067 116 2S 0.00054 0.00000 -0.00085 0.00252 0.00435 117 3S -0.00041 -0.00017 0.00114 -0.00317 -0.00503 118 4S -0.00073 0.00004 0.00076 -0.00725 -0.00952 119 5S -0.00073 0.00016 -0.00040 -0.00429 0.01371 120 6S 0.00326 -0.00042 -0.00020 0.04316 -0.00730 121 7PX 0.00035 0.00010 -0.00033 -0.00011 -0.00299 122 7PY -0.00011 0.00059 -0.00227 -0.00342 -0.00606 123 7PZ -0.00013 0.00000 0.00000 0.00000 0.00000 124 8PX -0.00101 -0.00034 0.00093 0.00074 0.00913 125 8PY 0.00031 -0.00178 0.00777 0.01031 0.01900 126 8PZ 0.00053 0.00000 0.00000 0.00000 0.00000 127 9PX 0.00184 0.00050 -0.00119 -0.00166 -0.01698 128 9PY -0.00051 0.00323 -0.01444 -0.01861 -0.03538 129 9PZ -0.00098 0.00000 0.00000 0.00000 0.00000 130 10PX 0.00076 -0.00022 0.00217 -0.00317 -0.00544 131 10PY -0.00086 0.00145 -0.00728 -0.02499 -0.02815 132 10PZ -0.00103 0.00000 0.00000 0.00000 0.00000 133 11XX 0.00024 0.00017 -0.00075 0.00084 0.00155 134 11YY 0.00020 0.00015 -0.00098 0.00234 0.00329 135 11ZZ 0.00024 0.00007 -0.00048 0.00116 0.00200 136 11XY -0.00004 0.00009 -0.00053 0.00007 0.00047 137 11XZ -0.00001 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00001 0.00000 0.00000 0.00000 0.00000 139 12XX -0.00040 0.00041 -0.00157 -0.00598 0.00174 140 12YY -0.00025 0.00029 -0.00074 -0.00652 0.00026 141 12ZZ -0.00037 0.00043 -0.00143 -0.00428 0.00314 142 12XY 0.00018 0.00003 -0.00001 -0.00029 -0.00226 143 12XZ 0.00009 0.00000 0.00000 0.00000 0.00000 144 12YZ -0.00001 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00011 0.00002 0.00022 -0.00004 -0.00002 146 2S -0.00054 -0.00003 -0.00123 0.00003 0.00012 147 3S 0.00041 -0.00010 0.00121 0.00028 -0.00011 148 4S 0.00073 0.00006 0.00109 0.00020 -0.00037 149 5S 0.00073 0.00089 -0.00324 0.00014 -0.00110 150 6S -0.00326 -0.00286 0.01038 -0.00160 0.00459 151 7PX 0.00035 -0.00002 0.00027 -0.00027 0.00022 152 7PY -0.00011 0.00001 0.00003 0.00025 0.00028 153 7PZ 0.00013 0.00000 0.00000 0.00000 0.00000 154 8PX -0.00101 0.00008 -0.00053 0.00079 -0.00067 155 8PY 0.00031 -0.00002 0.00006 -0.00082 -0.00086 156 8PZ -0.00053 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00184 -0.00012 0.00075 -0.00158 0.00124 158 9PY -0.00051 0.00005 -0.00023 0.00168 0.00152 159 9PZ 0.00098 0.00000 0.00000 0.00000 0.00000 160 10PX 0.00076 -0.00041 0.00187 -0.00068 0.00122 161 10PY -0.00086 -0.00008 0.00011 0.00048 0.00185 162 10PZ 0.00103 0.00000 0.00000 0.00000 0.00000 163 11XX -0.00024 0.00008 -0.00080 -0.00011 0.00001 164 11YY -0.00020 0.00006 -0.00080 -0.00026 0.00004 165 11ZZ -0.00024 0.00009 -0.00076 -0.00012 0.00010 166 11XY 0.00004 0.00001 0.00002 0.00010 0.00003 167 11XZ -0.00001 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00001 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00040 0.00051 -0.00197 -0.00022 -0.00059 170 12YY 0.00025 0.00057 -0.00225 0.00015 -0.00057 171 12ZZ 0.00037 0.00046 -0.00182 -0.00020 -0.00077 172 12XY -0.00018 -0.00001 0.00004 -0.00020 -0.00012 173 12XZ 0.00009 0.00000 0.00000 0.00000 0.00000 174 12YZ -0.00001 0.00000 0.00000 0.00000 0.00000 81 82 83 84 85 81 2PZ 2.11805 82 3S 0.00000 1.20401 83 3PX 0.00000 0.01084 1.01779 84 3PY 0.00000 -0.10955 0.01785 0.84668 85 3PZ -0.33588 0.00000 0.00000 0.00000 1.00482 86 4S 0.00000 0.50941 0.03468 -0.16242 0.00001 87 4PX 0.00000 0.00551 0.51942 0.02255 0.00000 88 4PY 0.00000 -0.07174 0.02751 0.30760 0.00001 89 4PZ -0.22778 0.00000 0.00000 0.00001 0.53475 90 5XX 0.00000 -0.01950 -0.00619 -0.01408 0.00000 91 5YY 0.00000 -0.00361 0.00050 0.04923 0.00000 92 5ZZ 0.00000 -0.01897 0.00152 -0.01359 0.00000 93 5XY 0.00000 -0.00216 0.03176 -0.00504 0.00000 94 5XZ 0.00127 0.00000 0.00000 0.00000 -0.00338 95 5YZ -0.01232 0.00000 0.00000 0.00000 0.03246 96 6 Cl 1S 0.00000 -0.00023 0.00031 -0.00044 0.00000 97 2S 0.00000 0.00088 -0.00094 0.00206 0.00000 98 2PX 0.00000 0.00161 -0.00091 0.00172 0.00000 99 2PY 0.00000 -0.00173 0.00155 -0.00390 0.00000 100 2PZ -0.00175 0.00000 0.00000 0.00000 0.00472 101 3S 0.00000 -0.00165 0.00449 -0.00435 0.00000 102 3PX 0.00000 -0.00449 0.00353 -0.00438 0.00000 103 3PY 0.00000 0.00435 -0.00438 0.01026 0.00000 104 3PZ 0.00472 0.00000 0.00000 0.00000 -0.01284 105 4S 0.00000 0.00038 -0.00340 -0.00693 0.00000 106 4PX 0.00000 -0.00383 -0.00290 -0.00426 0.00000 107 4PY 0.00000 0.00264 -0.00194 0.00866 0.00000 108 4PZ 0.00263 0.00000 0.00000 0.00000 -0.00669 109 5XX 0.00000 0.00008 0.00022 0.00022 0.00000 110 5YY 0.00000 -0.00012 0.00039 -0.00002 0.00000 111 5ZZ 0.00000 0.00011 0.00011 0.00055 0.00000 112 5XY 0.00000 -0.00001 0.00028 -0.00045 0.00000 113 5XZ -0.00016 0.00000 0.00000 0.00000 0.00040 114 5YZ 0.00030 0.00000 0.00000 0.00000 -0.00075 115 7 Br 1S 0.00000 0.00015 0.00034 0.00154 0.00000 116 2S 0.00000 -0.00070 -0.00319 -0.01013 0.00000 117 3S 0.00000 0.00039 0.00437 0.01176 0.00000 118 4S 0.00000 0.00087 0.01570 0.02282 0.00000 119 5S 0.00000 -0.00156 0.02065 -0.02834 0.00000 120 6S 0.00000 0.01151 -0.14280 0.00214 -0.00001 121 7PX 0.00000 0.00138 0.00014 0.00782 0.00000 122 7PY 0.00000 0.00667 0.00924 0.01586 0.00000 123 7PZ 0.00247 0.00000 0.00000 0.00000 -0.00651 124 8PX 0.00000 -0.00482 -0.00254 -0.02351 0.00000 125 8PY 0.00000 -0.01869 -0.02688 -0.05008 0.00000 126 8PZ -0.00708 0.00000 0.00000 0.00000 0.01722 127 9PX 0.00000 0.00826 0.00682 0.04338 0.00000 128 9PY 0.00000 0.03233 0.04733 0.09380 0.00000 129 9PZ 0.01213 0.00000 0.00000 0.00000 -0.02738 130 10PX 0.00000 -0.00189 0.00586 0.01758 0.00000 131 10PY 0.00000 0.02074 0.07044 0.07489 0.00000 132 10PZ 0.01809 0.00000 0.00000 0.00000 -0.05129 133 11XX 0.00000 0.00031 0.00045 -0.00341 0.00000 134 11YY 0.00000 -0.00012 -0.00359 -0.00768 0.00000 135 11ZZ 0.00000 -0.00087 -0.00050 -0.00457 0.00000 136 11XY 0.00000 0.00100 -0.00010 -0.00102 0.00000 137 11XZ -0.00028 0.00000 0.00000 0.00000 0.00071 138 11YZ -0.00070 0.00000 0.00000 0.00000 0.00182 139 12XX 0.00000 0.00061 0.02228 -0.00179 0.00000 140 12YY 0.00000 -0.00224 0.02254 0.00140 0.00000 141 12ZZ 0.00000 0.00043 0.01737 -0.00569 0.00000 142 12XY 0.00000 -0.00148 0.00043 0.00447 0.00000 143 12XZ -0.00032 0.00000 0.00000 0.00000 0.00178 144 12YZ 0.00120 0.00000 0.00000 0.00000 -0.00237 145 8 Br 1S 0.00000 0.00060 0.00023 0.00005 0.00000 146 2S 0.00000 -0.00287 -0.00099 -0.00025 0.00000 147 3S 0.00000 0.00199 0.00053 0.00016 0.00000 148 4S 0.00000 0.00312 0.00016 0.00089 0.00000 149 5S 0.00000 0.00157 -0.00207 0.00269 0.00000 150 6S 0.00000 -0.00412 0.01013 -0.01144 0.00000 151 7PX 0.00000 0.00005 0.00076 -0.00056 0.00000 152 7PY 0.00000 0.00012 -0.00066 -0.00073 0.00000 153 7PZ 0.00048 0.00000 0.00000 0.00000 -0.00125 154 8PX 0.00000 0.00037 -0.00219 0.00166 0.00000 155 8PY 0.00000 -0.00006 0.00222 0.00224 0.00000 156 8PZ -0.00144 0.00000 0.00000 0.00000 0.00365 157 9PX 0.00000 -0.00089 0.00422 -0.00304 0.00000 158 9PY 0.00000 -0.00009 -0.00470 -0.00393 0.00000 159 9PZ 0.00259 0.00000 0.00000 0.00000 -0.00644 160 10PX 0.00000 -0.00106 0.00170 -0.00299 0.00000 161 10PY 0.00000 0.00030 -0.00048 -0.00496 0.00000 162 10PZ 0.00280 0.00000 0.00000 0.00000 -0.00716 163 11XX 0.00000 -0.00115 -0.00058 0.00008 0.00000 164 11YY 0.00000 -0.00141 -0.00017 -0.00002 0.00000 165 11ZZ 0.00000 -0.00099 -0.00056 -0.00015 0.00000 166 11XY 0.00000 0.00015 -0.00030 -0.00006 0.00000 167 11XZ 0.00010 0.00000 0.00000 0.00000 -0.00027 168 11YZ 0.00004 0.00000 0.00000 0.00000 -0.00011 169 12XX 0.00000 0.00028 -0.00127 0.00164 0.00000 170 12YY 0.00000 0.00045 -0.00201 0.00154 0.00000 171 12ZZ 0.00000 0.00016 -0.00196 0.00205 0.00000 172 12XY 0.00000 0.00011 0.00041 0.00024 0.00000 173 12XZ -0.00014 0.00000 0.00000 0.00000 0.00028 174 12YZ -0.00006 0.00000 0.00000 0.00000 0.00032 86 87 88 89 90 86 4S 0.24557 87 4PX 0.01608 0.26788 88 4PY -0.06894 0.01904 0.11502 89 4PZ 0.00000 0.00000 0.00001 0.28693 90 5XX -0.00476 -0.00340 -0.00465 0.00000 0.00120 91 5YY -0.00709 0.00091 0.01747 0.00000 -0.00032 92 5ZZ -0.00422 0.00056 -0.00427 0.00000 0.00114 93 5XY 0.00076 0.01585 -0.00106 0.00000 -0.00006 94 5XZ 0.00000 0.00000 0.00000 -0.00183 0.00000 95 5YZ 0.00000 0.00000 0.00000 0.01713 0.00000 96 6 Cl 1S 0.00064 0.00034 -0.00022 0.00000 -0.00005 97 2S -0.00199 -0.00137 0.00117 0.00000 0.00012 98 2PX -0.00005 0.00025 0.00111 0.00000 -0.00001 99 2PY -0.00261 0.00151 -0.00335 0.00000 0.00008 100 2PZ 0.00000 0.00000 0.00000 0.00263 0.00000 101 3S 0.00038 0.00383 -0.00264 0.00000 0.00008 102 3PX 0.00340 -0.00290 -0.00194 0.00000 -0.00022 103 3PY 0.00694 -0.00426 0.00866 0.00000 -0.00022 104 3PZ 0.00000 0.00000 0.00000 -0.00669 0.00000 105 4S -0.00067 -0.00080 -0.00357 0.00000 0.00031 106 4PX 0.00080 -0.00364 -0.00205 0.00000 -0.00003 107 4PY 0.00357 -0.00205 0.00539 0.00000 -0.00025 108 4PZ 0.00000 0.00000 0.00000 -0.00350 0.00000 109 5XX 0.00031 0.00003 0.00025 0.00000 -0.00002 110 5YY -0.00019 0.00029 -0.00017 0.00000 -0.00001 111 5ZZ 0.00011 -0.00001 0.00033 0.00000 -0.00002 112 5XY -0.00037 0.00033 -0.00027 0.00000 0.00002 113 5XZ 0.00000 0.00000 0.00000 0.00024 0.00000 114 5YZ 0.00000 0.00000 0.00000 -0.00045 0.00000 115 7 Br 1S -0.00376 0.00525 0.00242 0.00000 0.00014 116 2S 0.01948 -0.02657 -0.01215 0.00000 -0.00056 117 3S -0.01588 0.02024 0.00922 0.00000 0.00014 118 4S -0.02507 0.03561 0.01524 0.00000 -0.00002 119 5S 0.01387 0.00513 -0.00611 0.00000 0.00048 120 6S -0.00732 -0.06730 0.00008 -0.00001 0.00179 121 7PX -0.00546 0.00203 -0.00002 0.00000 0.00028 122 7PY 0.00041 0.00513 0.00748 0.00000 0.00042 123 7PZ 0.00000 0.00000 0.00000 -0.00414 0.00000 124 8PX 0.01936 -0.00052 -0.00439 0.00000 -0.00076 125 8PY -0.01825 -0.02402 -0.02652 0.00000 0.00054 126 8PZ 0.00000 0.00000 0.00000 0.02142 0.00000 127 9PX -0.03651 -0.00078 0.00999 0.00000 0.00128 128 9PY 0.03941 0.04632 0.05023 0.00000 -0.00160 129 9PZ 0.00000 0.00000 0.00000 -0.04082 0.00000 130 10PX -0.02756 -0.00276 0.00160 0.00000 0.00107 131 10PY 0.03213 0.05205 0.04064 0.00000 -0.00168 132 10PZ 0.00000 0.00000 0.00000 -0.04891 0.00000 133 11XX 0.00593 -0.01179 -0.00507 0.00000 -0.00002 134 11YY 0.01229 -0.01095 -0.00563 0.00000 -0.00034 135 11ZZ 0.00807 -0.01094 -0.00495 0.00000 -0.00019 136 11XY 0.00279 0.00025 0.00059 0.00000 -0.00012 137 11XZ 0.00000 0.00000 0.00000 -0.00094 0.00000 138 11YZ 0.00000 0.00000 0.00000 -0.00030 0.00000 139 12XX 0.00795 0.00779 -0.00064 0.00000 -0.00044 140 12YY 0.00165 0.00655 -0.00069 0.00000 -0.00032 141 12ZZ 0.00541 0.00485 -0.00251 0.00000 -0.00014 142 12XY -0.00167 -0.00044 0.00099 0.00000 -0.00019 143 12XZ 0.00000 0.00000 0.00000 0.00217 0.00000 144 12YZ 0.00000 0.00000 0.00000 -0.00034 0.00000 145 8 Br 1S -0.00561 -0.00012 -0.00056 0.00000 0.00046 146 2S 0.02693 0.00067 0.00270 0.00000 -0.00215 147 3S -0.01828 -0.00056 -0.00188 0.00000 0.00132 148 4S -0.02764 -0.00126 -0.00273 0.00000 0.00195 149 5S -0.00182 -0.00068 0.00012 0.00000 0.00024 150 6S 0.00438 0.00513 -0.00073 0.00000 0.00033 151 7PX -0.00393 0.00060 -0.00103 0.00000 0.00025 152 7PY -0.00074 -0.00056 -0.00040 0.00000 0.00002 153 7PZ 0.00000 0.00000 0.00000 -0.00095 0.00000 154 8PX 0.00463 -0.00001 0.00174 0.00000 -0.00019 155 8PY 0.00020 0.00078 0.00141 0.00000 0.00018 156 8PZ 0.00000 0.00000 0.00000 0.00299 0.00000 157 9PX -0.00558 -0.00059 -0.00265 0.00000 0.00017 158 9PY 0.00040 -0.00136 -0.00259 0.00000 -0.00040 159 9PZ 0.00000 0.00000 0.00000 -0.00538 0.00000 160 10PX -0.00306 -0.00122 -0.00152 0.00000 0.00016 161 10PY 0.00153 0.00053 -0.00228 0.00000 -0.00030 162 10PZ 0.00000 0.00000 0.00000 -0.00558 0.00000 163 11XX 0.01100 0.00026 0.00110 0.00000 -0.00086 164 11YY 0.01243 -0.00028 0.00152 0.00000 -0.00093 165 11ZZ 0.01007 0.00078 0.00080 0.00000 -0.00078 166 11XY -0.00077 0.00037 -0.00024 0.00000 0.00007 167 11XZ 0.00000 0.00000 0.00000 -0.00001 0.00000 168 11YZ 0.00000 0.00000 0.00000 -0.00022 0.00000 169 12XX 0.00238 -0.00055 0.00044 0.00000 -0.00024 170 12YY 0.00283 -0.00079 0.00038 0.00000 -0.00029 171 12ZZ 0.00253 -0.00085 0.00064 0.00000 -0.00027 172 12XY 0.00006 0.00022 0.00010 0.00000 -0.00002 173 12XZ 0.00000 0.00000 0.00000 0.00010 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00009 0.00000 91 92 93 94 95 91 5YY 0.00374 92 5ZZ -0.00032 0.00114 93 5XY -0.00031 0.00017 0.00115 94 5XZ 0.00000 0.00000 0.00000 0.00003 95 5YZ 0.00000 0.00000 0.00000 -0.00013 0.00112 96 6 Cl 1S -0.00006 -0.00004 -0.00001 0.00000 0.00000 97 2S 0.00020 0.00010 0.00005 0.00000 0.00000 98 2PX 0.00010 -0.00001 0.00007 0.00000 0.00000 99 2PY 0.00000 0.00020 -0.00019 0.00000 0.00000 100 2PZ 0.00000 0.00000 0.00000 0.00016 -0.00030 101 3S -0.00012 0.00011 -0.00001 0.00000 0.00000 102 3PX -0.00039 -0.00011 -0.00028 0.00000 0.00000 103 3PY 0.00002 -0.00055 0.00045 0.00000 0.00000 104 3PZ 0.00000 0.00000 0.00000 -0.00040 0.00075 105 4S -0.00019 0.00011 -0.00037 0.00000 0.00000 106 4PX -0.00029 0.00001 -0.00033 0.00000 0.00000 107 4PY 0.00017 -0.00033 0.00027 0.00000 0.00000 108 4PZ 0.00000 0.00000 0.00000 -0.00024 0.00045 109 5XX -0.00001 -0.00002 0.00002 0.00000 0.00000 110 5YY 0.00001 0.00001 0.00001 0.00000 0.00000 111 5ZZ 0.00001 -0.00002 0.00003 0.00000 0.00000 112 5XY 0.00001 0.00003 0.00000 0.00000 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00001 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00000 -0.00002 115 7 Br 1S 0.00081 0.00036 0.00036 0.00000 0.00000 116 2S -0.00400 -0.00159 -0.00174 0.00000 0.00000 117 3S 0.00287 0.00081 0.00120 0.00000 0.00000 118 4S 0.00470 0.00106 0.00207 0.00000 0.00000 119 5S -0.00161 0.00072 0.00120 0.00000 0.00000 120 6S -0.00069 0.00072 -0.00578 0.00000 0.00000 121 7PX 0.00003 0.00002 -0.00024 0.00000 0.00000 122 7PY -0.00034 0.00057 -0.00132 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00023 0.00058 124 8PX -0.00048 -0.00047 0.00040 0.00000 0.00000 125 8PY 0.00184 -0.00039 0.00295 0.00000 0.00000 126 8PZ 0.00000 0.00000 0.00000 -0.00073 -0.00125 127 9PX 0.00118 0.00093 -0.00057 0.00000 0.00000 128 9PY -0.00334 0.00023 -0.00502 0.00000 0.00000 129 9PZ 0.00000 0.00000 0.00000 0.00132 0.00215 130 10PX 0.00066 0.00076 0.00026 0.00000 0.00000 131 10PY -0.00225 0.00001 -0.00258 0.00000 0.00000 132 10PZ 0.00000 0.00000 0.00000 0.00123 0.00081 133 11XX -0.00156 -0.00043 -0.00071 0.00000 0.00000 134 11YY -0.00202 -0.00075 -0.00071 0.00000 0.00000 135 11ZZ -0.00148 -0.00063 -0.00070 0.00000 0.00000 136 11XY -0.00050 -0.00006 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00001 0.00005 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00004 139 12XX -0.00038 -0.00034 0.00053 0.00000 0.00000 140 12YY 0.00012 -0.00033 0.00086 0.00000 0.00000 141 12ZZ -0.00082 -0.00010 0.00046 0.00000 0.00000 142 12XY 0.00082 -0.00024 0.00017 0.00000 0.00000 143 12XZ 0.00000 0.00000 0.00000 -0.00006 -0.00010 144 12YZ 0.00000 0.00000 0.00000 -0.00003 -0.00021 145 8 Br 1S 0.00046 0.00030 0.00003 0.00000 0.00000 146 2S -0.00216 -0.00143 -0.00015 0.00000 0.00000 147 3S 0.00132 0.00089 0.00008 0.00000 0.00000 148 4S 0.00199 0.00131 0.00010 0.00000 0.00000 149 5S 0.00062 0.00009 -0.00005 0.00000 0.00000 150 6S -0.00085 0.00032 0.00048 0.00000 0.00000 151 7PX 0.00020 0.00013 0.00013 0.00000 0.00000 152 7PY 0.00015 0.00020 -0.00005 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 -0.00005 0.00005 154 8PX -0.00007 -0.00025 -0.00021 0.00000 0.00000 155 8PY -0.00012 -0.00014 0.00012 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00009 -0.00021 157 9PX -0.00003 0.00043 0.00033 0.00000 0.00000 158 9PY 0.00013 0.00012 -0.00022 0.00000 0.00000 159 9PZ 0.00000 0.00000 0.00000 -0.00014 0.00040 160 10PX -0.00018 0.00034 0.00023 0.00000 0.00000 161 10PY 0.00000 0.00008 -0.00009 0.00000 0.00000 162 10PZ 0.00000 0.00000 0.00000 -0.00014 0.00033 163 11XX -0.00084 -0.00060 -0.00006 0.00000 0.00000 164 11YY -0.00093 -0.00064 -0.00009 0.00000 0.00000 165 11ZZ -0.00080 -0.00050 -0.00004 0.00000 0.00000 166 11XY 0.00004 0.00005 0.00001 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 -0.00001 168 11YZ 0.00000 0.00000 0.00000 0.00000 -0.00001 169 12XX -0.00010 -0.00019 -0.00006 0.00000 0.00000 170 12YY -0.00007 -0.00021 -0.00010 0.00000 0.00000 171 12ZZ -0.00008 -0.00021 -0.00008 0.00000 0.00000 172 12XY 0.00000 0.00000 0.00003 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 -0.00002 0.00004 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00003 96 97 98 99 100 96 6 Cl 1S 2.16060 97 2S -0.61775 2.38949 98 2PX 0.00048 -0.00223 2.11893 99 2PY -0.00397 0.01831 0.00242 2.09615 100 2PZ 0.00000 0.00000 0.00000 0.00000 2.11805 101 3S 0.04671 -0.44152 0.00453 -0.04152 0.00000 102 3PX -0.00134 0.00674 -0.33913 -0.00669 0.00000 103 3PY 0.01090 -0.05018 -0.00671 -0.27625 0.00000 104 3PZ 0.00000 0.00000 0.00000 0.00000 -0.33588 105 4S 0.07191 -0.29794 0.01022 -0.06253 0.00000 106 4PX 0.00001 0.00106 -0.22391 -0.00883 0.00000 107 4PY 0.00519 -0.02649 -0.00966 -0.13889 0.00000 108 4PZ 0.00000 0.00000 0.00000 0.00000 -0.22778 109 5XX 0.02218 -0.02382 -0.00206 -0.00543 0.00000 110 5YY 0.02392 -0.03192 0.00056 0.01711 0.00000 111 5ZZ 0.02224 -0.02408 0.00084 -0.00522 0.00000 112 5XY -0.00025 0.00113 0.01215 -0.00172 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00000 -0.00127 114 5YZ 0.00000 0.00000 0.00000 0.00000 0.01231 115 7 Br 1S 0.00002 0.00022 0.00004 0.00002 0.00000 116 2S -0.00003 -0.00123 -0.00003 -0.00012 0.00000 117 3S -0.00010 0.00121 -0.00028 0.00011 0.00000 118 4S 0.00006 0.00109 -0.00020 0.00037 0.00000 119 5S 0.00089 -0.00324 -0.00014 0.00110 0.00000 120 6S -0.00286 0.01039 0.00161 -0.00459 0.00000 121 7PX 0.00002 -0.00027 -0.00027 0.00022 0.00000 122 7PY -0.00001 -0.00003 0.00025 0.00028 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00048 124 8PX -0.00008 0.00053 0.00079 -0.00067 0.00000 125 8PY 0.00002 -0.00006 -0.00082 -0.00086 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 -0.00144 127 9PX 0.00012 -0.00075 -0.00158 0.00124 0.00000 128 9PY -0.00005 0.00023 0.00168 0.00152 0.00000 129 9PZ 0.00000 0.00000 0.00000 0.00000 0.00259 130 10PX 0.00041 -0.00188 -0.00067 0.00122 0.00000 131 10PY 0.00008 -0.00011 0.00048 0.00185 0.00000 132 10PZ 0.00000 0.00000 0.00000 0.00000 0.00280 133 11XX 0.00008 -0.00081 0.00011 -0.00001 0.00000 134 11YY 0.00006 -0.00080 0.00026 -0.00004 0.00000 135 11ZZ 0.00009 -0.00076 0.00012 -0.00010 0.00000 136 11XY 0.00001 0.00002 -0.00010 -0.00003 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 -0.00010 138 11YZ 0.00000 0.00000 0.00000 0.00000 -0.00004 139 12XX 0.00051 -0.00197 0.00022 0.00059 0.00000 140 12YY 0.00057 -0.00225 -0.00015 0.00057 0.00000 141 12ZZ 0.00046 -0.00182 0.00019 0.00077 0.00000 142 12XY -0.00001 0.00004 0.00020 0.00012 0.00000 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00014 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00006 145 8 Br 1S 0.00002 0.00012 0.00034 0.00067 0.00000 146 2S 0.00000 -0.00085 -0.00252 -0.00435 0.00000 147 3S -0.00017 0.00114 0.00317 0.00503 0.00000 148 4S 0.00004 0.00076 0.00725 0.00952 0.00000 149 5S 0.00016 -0.00040 0.00429 -0.01371 0.00000 150 6S -0.00042 -0.00020 -0.04316 0.00730 0.00000 151 7PX -0.00010 0.00033 -0.00010 -0.00299 0.00000 152 7PY -0.00059 0.00227 -0.00342 -0.00607 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00247 154 8PX 0.00034 -0.00093 0.00073 0.00913 0.00000 155 8PY 0.00178 -0.00777 0.01030 0.01900 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 -0.00708 157 9PX -0.00050 0.00119 -0.00165 -0.01698 0.00000 158 9PY -0.00323 0.01444 -0.01861 -0.03538 0.00000 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.01213 160 10PX 0.00022 -0.00217 -0.00317 -0.00543 0.00000 161 10PY -0.00145 0.00728 -0.02499 -0.02815 0.00000 162 10PZ 0.00000 0.00000 0.00000 0.00000 0.01809 163 11XX 0.00017 -0.00075 -0.00084 -0.00155 0.00000 164 11YY 0.00015 -0.00098 -0.00234 -0.00329 0.00000 165 11ZZ 0.00007 -0.00048 -0.00116 -0.00200 0.00000 166 11XY 0.00009 -0.00053 -0.00007 -0.00047 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00028 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00070 169 12XX 0.00041 -0.00157 0.00598 -0.00174 0.00000 170 12YY 0.00029 -0.00074 0.00652 -0.00026 0.00000 171 12ZZ 0.00043 -0.00143 0.00428 -0.00314 0.00000 172 12XY 0.00003 -0.00001 0.00029 0.00226 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00032 174 12YZ 0.00000 0.00000 0.00000 0.00000 -0.00120 101 102 103 104 105 101 3S 1.20401 102 3PX -0.01085 1.01779 103 3PY 0.10955 0.01787 0.84669 104 3PZ 0.00000 0.00000 0.00000 1.00482 105 4S 0.50941 -0.03470 0.16242 -0.00001 0.24557 106 4PX -0.00552 0.51941 0.02258 0.00000 -0.01609 107 4PY 0.07174 0.02753 0.30761 0.00001 0.06894 108 4PZ 0.00000 0.00000 0.00001 0.53475 0.00000 109 5XX -0.01950 0.00619 0.01408 0.00000 -0.00476 110 5YY -0.00361 -0.00050 -0.04923 0.00000 -0.00709 111 5ZZ -0.01897 -0.00152 0.01359 0.00000 -0.00422 112 5XY -0.00216 -0.03176 0.00504 0.00000 0.00076 113 5XZ 0.00000 0.00000 0.00000 0.00338 0.00000 114 5YZ 0.00000 0.00000 0.00000 -0.03246 0.00000 115 7 Br 1S 0.00060 -0.00023 -0.00005 0.00000 -0.00561 116 2S -0.00287 0.00098 0.00025 0.00000 0.02694 117 3S 0.00199 -0.00053 -0.00016 0.00000 -0.01829 118 4S 0.00312 -0.00016 -0.00089 0.00000 -0.02766 119 5S 0.00157 0.00207 -0.00270 0.00000 -0.00182 120 6S -0.00412 -0.01013 0.01145 0.00000 0.00438 121 7PX -0.00006 0.00076 -0.00056 0.00000 0.00393 122 7PY -0.00012 -0.00066 -0.00073 0.00000 0.00074 123 7PZ 0.00000 0.00000 0.00000 -0.00125 0.00000 124 8PX -0.00037 -0.00219 0.00167 0.00000 -0.00463 125 8PY 0.00006 0.00221 0.00224 0.00000 -0.00020 126 8PZ 0.00000 0.00000 0.00000 0.00365 0.00000 127 9PX 0.00089 0.00421 -0.00304 0.00000 0.00558 128 9PY 0.00009 -0.00470 -0.00393 0.00000 -0.00040 129 9PZ 0.00000 0.00000 0.00000 -0.00644 0.00000 130 10PX 0.00106 0.00170 -0.00299 0.00000 0.00306 131 10PY -0.00030 -0.00048 -0.00496 0.00000 -0.00153 132 10PZ 0.00000 0.00000 0.00000 -0.00717 0.00000 133 11XX -0.00115 0.00058 -0.00008 0.00000 0.01101 134 11YY -0.00141 0.00017 0.00002 0.00000 0.01244 135 11ZZ -0.00099 0.00056 0.00015 0.00000 0.01008 136 11XY 0.00015 0.00030 0.00006 0.00000 -0.00077 137 11XZ 0.00000 0.00000 0.00000 0.00027 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00011 0.00000 139 12XX 0.00028 0.00127 -0.00165 0.00000 0.00238 140 12YY 0.00045 0.00201 -0.00154 0.00000 0.00283 141 12ZZ 0.00016 0.00196 -0.00205 0.00000 0.00253 142 12XY 0.00011 -0.00040 -0.00024 0.00000 0.00006 143 12XZ 0.00000 0.00000 0.00000 -0.00028 0.00000 144 12YZ 0.00000 0.00000 0.00000 -0.00032 0.00000 145 8 Br 1S 0.00015 -0.00034 -0.00154 0.00000 -0.00376 146 2S -0.00070 0.00319 0.01013 0.00000 0.01948 147 3S 0.00039 -0.00437 -0.01176 0.00000 -0.01588 148 4S 0.00087 -0.01570 -0.02282 0.00000 -0.02507 149 5S -0.00156 -0.02065 0.02834 0.00000 0.01387 150 6S 0.01151 0.14279 -0.00212 0.00001 -0.00732 151 7PX -0.00137 0.00014 0.00782 0.00000 0.00546 152 7PY -0.00667 0.00924 0.01586 0.00000 -0.00041 153 7PZ 0.00000 0.00000 0.00000 -0.00651 0.00000 154 8PX 0.00482 -0.00253 -0.02351 0.00000 -0.01936 155 8PY 0.01870 -0.02687 -0.05008 0.00000 0.01825 156 8PZ 0.00000 0.00000 0.00000 0.01722 0.00000 157 9PX -0.00826 0.00681 0.04337 0.00000 0.03651 158 9PY -0.03233 0.04732 0.09381 0.00000 -0.03941 159 9PZ 0.00000 0.00000 0.00000 -0.02738 0.00001 160 10PX 0.00189 0.00585 0.01757 0.00000 0.02756 161 10PY -0.02074 0.07043 0.07490 0.00000 -0.03213 162 10PZ 0.00000 0.00000 0.00000 -0.05129 0.00000 163 11XX 0.00031 -0.00045 0.00341 0.00000 0.00593 164 11YY -0.00012 0.00359 0.00768 0.00000 0.01229 165 11ZZ -0.00087 0.00050 0.00457 0.00000 0.00807 166 11XY 0.00100 0.00010 0.00102 0.00000 0.00279 167 11XZ 0.00000 0.00000 0.00000 -0.00071 0.00000 168 11YZ 0.00000 0.00000 0.00000 -0.00182 0.00000 169 12XX 0.00061 -0.02228 0.00179 0.00000 0.00795 170 12YY -0.00224 -0.02254 -0.00141 0.00000 0.00165 171 12ZZ 0.00043 -0.01737 0.00568 0.00000 0.00540 172 12XY -0.00148 -0.00043 -0.00447 0.00000 -0.00166 173 12XZ 0.00000 0.00000 0.00000 -0.00178 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00237 0.00000 106 107 108 109 110 106 4PX 0.26788 107 4PY 0.01906 0.11502 108 4PZ 0.00000 0.00000 0.28693 109 5XX 0.00341 0.00465 0.00000 0.00120 110 5YY -0.00091 -0.01747 0.00000 -0.00032 0.00374 111 5ZZ -0.00056 0.00427 0.00000 0.00114 -0.00032 112 5XY -0.01585 0.00106 0.00000 -0.00006 -0.00031 113 5XZ 0.00000 0.00000 0.00183 0.00000 0.00000 114 5YZ 0.00000 0.00000 -0.01713 0.00000 0.00000 115 7 Br 1S 0.00012 0.00056 0.00000 0.00046 0.00046 116 2S -0.00066 -0.00270 0.00000 -0.00215 -0.00216 117 3S 0.00056 0.00188 0.00000 0.00133 0.00132 118 4S 0.00125 0.00274 0.00000 0.00195 0.00199 119 5S 0.00068 -0.00012 0.00000 0.00024 0.00062 120 6S -0.00513 0.00073 0.00000 0.00034 -0.00085 121 7PX 0.00060 -0.00103 0.00000 -0.00025 -0.00020 122 7PY -0.00056 -0.00040 0.00000 -0.00002 -0.00015 123 7PZ 0.00000 0.00000 -0.00095 0.00000 0.00000 124 8PX -0.00001 0.00175 0.00000 0.00019 0.00007 125 8PY 0.00078 0.00141 0.00000 -0.00018 0.00012 126 8PZ 0.00000 0.00000 0.00299 0.00000 0.00000 127 9PX -0.00059 -0.00265 0.00000 -0.00017 0.00003 128 9PY -0.00136 -0.00259 0.00000 0.00040 -0.00013 129 9PZ 0.00000 0.00000 -0.00538 0.00000 0.00000 130 10PX -0.00122 -0.00152 0.00000 -0.00016 0.00018 131 10PY 0.00053 -0.00228 0.00000 0.00030 0.00000 132 10PZ 0.00000 0.00000 -0.00558 0.00000 0.00000 133 11XX -0.00026 -0.00110 0.00000 -0.00086 -0.00084 134 11YY 0.00028 -0.00152 0.00000 -0.00093 -0.00093 135 11ZZ -0.00078 -0.00080 0.00000 -0.00078 -0.00080 136 11XY -0.00037 0.00024 0.00000 0.00007 0.00004 137 11XZ 0.00000 0.00000 0.00001 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00022 0.00000 0.00000 139 12XX 0.00055 -0.00044 0.00000 -0.00024 -0.00010 140 12YY 0.00079 -0.00038 0.00000 -0.00029 -0.00007 141 12ZZ 0.00085 -0.00064 0.00000 -0.00027 -0.00008 142 12XY -0.00022 -0.00010 0.00000 -0.00002 0.00000 143 12XZ 0.00000 0.00000 -0.00010 0.00000 0.00000 144 12YZ 0.00000 0.00000 -0.00009 0.00000 0.00000 145 8 Br 1S -0.00525 -0.00242 0.00000 0.00014 0.00081 146 2S 0.02657 0.01215 0.00000 -0.00056 -0.00400 147 3S -0.02023 -0.00922 0.00000 0.00014 0.00287 148 4S -0.03561 -0.01524 0.00000 -0.00002 0.00470 149 5S -0.00512 0.00611 0.00000 0.00048 -0.00161 150 6S 0.06729 -0.00007 0.00001 0.00179 -0.00069 151 7PX 0.00203 -0.00002 0.00000 -0.00028 -0.00003 152 7PY 0.00513 0.00748 0.00000 -0.00042 0.00034 153 7PZ 0.00000 0.00000 -0.00414 0.00000 0.00000 154 8PX -0.00052 -0.00438 0.00000 0.00076 0.00048 155 8PY -0.02402 -0.02653 0.00000 -0.00053 -0.00185 156 8PZ 0.00000 0.00000 0.02142 0.00000 0.00000 157 9PX -0.00079 0.00998 0.00000 -0.00128 -0.00118 158 9PY 0.04631 0.05024 0.00000 0.00160 0.00334 159 9PZ 0.00000 0.00000 -0.04082 0.00000 0.00000 160 10PX -0.00277 0.00159 0.00000 -0.00107 -0.00066 161 10PY 0.05205 0.04065 0.00000 0.00168 0.00225 162 10PZ 0.00000 0.00000 -0.04891 0.00000 0.00000 163 11XX 0.01179 0.00507 0.00000 -0.00002 -0.00156 164 11YY 0.01095 0.00563 0.00000 -0.00034 -0.00202 165 11ZZ 0.01094 0.00496 0.00000 -0.00019 -0.00148 166 11XY -0.00025 -0.00059 0.00000 -0.00012 -0.00050 167 11XZ 0.00000 0.00000 0.00094 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00030 0.00000 0.00000 169 12XX -0.00779 0.00064 0.00000 -0.00044 -0.00038 170 12YY -0.00654 0.00069 0.00000 -0.00032 0.00012 171 12ZZ -0.00485 0.00251 0.00000 -0.00014 -0.00082 172 12XY 0.00044 -0.00099 0.00000 -0.00019 0.00082 173 12XZ 0.00000 0.00000 -0.00217 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00034 0.00000 0.00000 111 112 113 114 115 111 5ZZ 0.00114 112 5XY 0.00017 0.00115 113 5XZ 0.00000 0.00000 0.00003 114 5YZ 0.00000 0.00000 -0.00013 0.00112 115 7 Br 1S 0.00031 0.00003 0.00000 0.00000 2.39615 116 2S -0.00143 -0.00015 0.00000 0.00000 -1.27293 117 3S 0.00090 0.00008 0.00000 0.00000 0.48905 118 4S 0.00131 0.00010 0.00000 0.00000 0.74723 119 5S 0.00009 -0.00005 0.00000 0.00000 0.14014 120 6S 0.00032 0.00048 0.00000 0.00000 0.23071 121 7PX -0.00013 -0.00013 0.00000 0.00000 -0.00008 122 7PY -0.00020 0.00005 0.00000 0.00000 -0.00018 123 7PZ 0.00000 0.00000 0.00005 -0.00005 0.00000 124 8PX 0.00025 0.00021 0.00000 0.00000 0.00147 125 8PY 0.00014 -0.00012 0.00000 0.00000 0.00130 126 8PZ 0.00000 0.00000 -0.00009 0.00021 0.00000 127 9PX -0.00043 -0.00033 0.00000 0.00000 0.00036 128 9PY -0.00012 0.00022 0.00000 0.00000 -0.00054 129 9PZ 0.00000 0.00000 0.00014 -0.00040 0.00000 130 10PX -0.00035 -0.00023 0.00000 0.00000 -0.01897 131 10PY -0.00008 0.00009 0.00000 0.00000 -0.01216 132 10PZ 0.00000 0.00000 0.00014 -0.00033 0.00000 133 11XX -0.00060 -0.00006 0.00000 0.00000 -0.39295 134 11YY -0.00064 -0.00009 0.00000 0.00000 -0.39292 135 11ZZ -0.00050 -0.00004 0.00000 0.00000 -0.39309 136 11XY 0.00005 0.00001 0.00000 0.00000 0.00017 137 11XZ 0.00000 0.00000 0.00000 -0.00001 0.00000 138 11YZ 0.00000 0.00000 0.00000 -0.00001 0.00000 139 12XX -0.00019 -0.00006 0.00000 0.00000 -0.12498 140 12YY -0.00021 -0.00010 0.00000 0.00000 -0.12553 141 12ZZ -0.00021 -0.00008 0.00000 0.00000 -0.12495 142 12XY 0.00000 0.00003 0.00000 0.00000 -0.00034 143 12XZ 0.00000 0.00000 -0.00002 0.00004 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00003 0.00000 145 8 Br 1S 0.00036 0.00036 0.00000 0.00000 -0.00011 146 2S -0.00159 -0.00174 0.00000 0.00000 -0.00007 147 3S 0.00081 0.00120 0.00000 0.00000 0.00125 148 4S 0.00106 0.00207 0.00000 0.00000 0.00013 149 5S 0.00072 0.00120 0.00000 0.00000 -0.00447 150 6S 0.00072 -0.00578 0.00000 0.00000 0.01623 151 7PX -0.00002 0.00024 0.00000 0.00000 0.00001 152 7PY -0.00057 0.00132 0.00000 0.00000 -0.00002 153 7PZ 0.00000 0.00000 -0.00023 -0.00058 0.00000 154 8PX 0.00047 -0.00040 0.00000 0.00000 -0.00011 155 8PY 0.00039 -0.00295 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00073 0.00125 0.00000 157 9PX -0.00093 0.00056 0.00000 0.00000 -0.00006 158 9PY -0.00023 0.00502 0.00000 0.00000 -0.00017 159 9PZ 0.00000 0.00000 -0.00132 -0.00215 0.00000 160 10PX -0.00076 -0.00026 0.00000 0.00000 0.00192 161 10PY -0.00001 0.00258 0.00000 0.00000 0.00095 162 10PZ 0.00000 0.00000 -0.00123 -0.00081 0.00000 163 11XX -0.00043 -0.00071 0.00000 0.00000 -0.00105 164 11YY -0.00075 -0.00071 0.00000 0.00000 -0.00101 165 11ZZ -0.00063 -0.00070 0.00000 0.00000 -0.00105 166 11XY -0.00006 0.00000 0.00000 0.00000 -0.00003 167 11XZ 0.00000 0.00000 0.00001 0.00005 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00004 0.00000 169 12XX -0.00034 0.00053 0.00000 0.00000 -0.00328 170 12YY -0.00033 0.00086 0.00000 0.00000 -0.00356 171 12ZZ -0.00010 0.00046 0.00000 0.00000 -0.00333 172 12XY -0.00024 0.00017 0.00000 0.00000 0.00022 173 12XZ 0.00000 0.00000 -0.00006 -0.00010 0.00000 174 12YZ 0.00000 0.00000 -0.00003 -0.00021 0.00000 116 117 118 119 120 116 2S 4.75259 117 3S -2.59637 2.01410 118 4S -3.79644 2.98758 4.46558 119 5S -0.52233 0.07436 -0.07079 1.01474 120 6S -1.00701 0.49778 0.61991 0.64317 0.62910 121 7PX 0.00687 -0.01548 -0.01559 0.01692 -0.03100 122 7PY 0.00508 -0.01056 -0.01134 0.00996 -0.01181 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX -0.01218 0.01847 0.02935 -0.02043 -0.06659 125 8PY -0.01016 0.01476 0.02341 -0.01911 -0.04185 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX 0.00597 -0.01806 -0.04221 0.02315 0.17940 128 9PY 0.00869 -0.01714 -0.03603 0.02911 0.10400 129 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 10PX 0.09855 -0.08068 -0.13320 0.03486 0.10546 131 10PY 0.06462 -0.05547 -0.09184 0.03885 0.05377 132 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 11XX 1.82406 -1.13382 -1.66657 -0.15806 -0.36373 134 11YY 1.82420 -1.13441 -1.66727 -0.15129 -0.37934 135 11ZZ 1.82519 -1.13531 -1.66938 -0.14774 -0.38414 136 11XY -0.00122 0.00142 0.00294 -0.00879 0.01624 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.59410 -0.39180 -0.57982 -0.02074 -0.12839 140 12YY 0.59599 -0.39167 -0.57894 -0.02713 -0.12567 141 12ZZ 0.59240 -0.38773 -0.57229 -0.03338 -0.12340 142 12XY 0.00313 -0.00493 -0.00888 0.01153 -0.00236 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S -0.00007 0.00125 0.00013 -0.00447 0.01623 146 2S 0.00390 -0.00796 -0.00399 0.02040 -0.07889 147 3S -0.00796 0.00686 0.00523 -0.01356 0.05348 148 4S -0.00399 0.00523 0.00057 -0.02118 0.07863 149 5S 0.02040 -0.01356 -0.02119 0.00110 -0.00181 150 6S -0.07890 0.05349 0.07864 -0.00181 0.01796 151 7PX -0.00046 0.00097 0.00104 -0.00151 0.00277 152 7PY -0.00015 0.00048 0.00047 -0.00040 0.00166 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00090 -0.00133 -0.00201 0.00380 -0.00202 155 8PY 0.00002 0.00000 -0.00052 -0.00308 0.01086 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX -0.00028 0.00134 0.00235 -0.00632 0.00184 158 9PY 0.00082 -0.00071 0.00028 0.00730 -0.02556 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX -0.00991 0.00794 0.01222 -0.00687 0.00400 161 10PY -0.00444 0.00266 0.00478 0.00616 -0.01709 162 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 11XX 0.00709 -0.00547 -0.00484 0.00801 -0.03468 164 11YY 0.00697 -0.00543 -0.00473 0.00780 -0.03392 165 11ZZ 0.00708 -0.00539 -0.00483 0.00727 -0.03251 166 11XY 0.00015 -0.00007 -0.00022 -0.00032 0.00131 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.01619 -0.01094 -0.01528 0.00174 -0.01183 170 12YY 0.01754 -0.01195 -0.01674 0.00279 -0.01392 171 12ZZ 0.01644 -0.01120 -0.01570 0.00238 -0.01245 172 12XY -0.00105 0.00070 0.00110 0.00032 -0.00114 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 122 123 124 125 121 7PX 2.30243 122 7PY -0.00192 2.30346 123 7PZ 0.00000 0.00000 2.30488 124 8PX -0.85784 0.00584 0.00000 2.44747 125 8PY 0.00584 -0.86082 0.00000 -0.01761 2.45588 126 8PZ 0.00000 0.00000 -0.86501 0.00000 0.00000 127 9PX 0.05234 -0.01149 0.00000 -0.29689 0.03380 128 9PY -0.01145 0.05893 0.00000 0.03332 -0.31287 129 9PZ 0.00000 0.00000 0.06718 0.00000 0.00000 130 10PX 0.11335 -0.01686 0.00000 -0.26943 0.05182 131 10PY -0.01682 0.11734 0.00000 0.05561 -0.29562 132 10PZ 0.00000 0.00000 0.12998 0.00000 0.00000 133 11XX 0.01394 0.00704 0.00000 -0.01471 -0.00510 134 11YY 0.01058 0.00910 0.00000 -0.00526 -0.01074 135 11ZZ 0.01017 0.00654 0.00000 -0.00370 -0.00329 136 11XY 0.00200 0.00225 0.00000 -0.00602 -0.00677 137 11XZ 0.00000 0.00000 0.00170 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00138 0.00000 0.00000 139 12XX 0.00643 0.01154 0.00000 0.01947 -0.00967 140 12YY 0.01768 0.00199 0.00000 -0.00886 0.01422 141 12ZZ 0.01575 0.00909 0.00000 -0.00580 -0.00513 142 12XY -0.00279 -0.00468 0.00000 0.00843 0.01426 143 12XZ 0.00000 0.00000 -0.00653 0.00000 0.00000 144 12YZ 0.00000 0.00000 -0.00524 0.00000 0.00000 145 8 Br 1S -0.00001 0.00002 0.00000 0.00011 0.00000 146 2S 0.00046 0.00015 0.00000 -0.00090 -0.00002 147 3S -0.00098 -0.00048 0.00000 0.00133 0.00000 148 4S -0.00104 -0.00047 0.00000 0.00201 0.00052 149 5S 0.00151 0.00040 0.00000 -0.00380 0.00308 150 6S -0.00277 -0.00166 0.00000 0.00202 -0.01086 151 7PX 0.00027 0.00014 0.00000 -0.00085 -0.00040 152 7PY 0.00014 0.00004 0.00000 -0.00039 -0.00014 153 7PZ 0.00000 0.00000 -0.00027 0.00000 0.00000 154 8PX -0.00085 -0.00039 0.00000 0.00271 0.00108 155 8PY -0.00040 -0.00014 0.00000 0.00108 0.00054 156 8PZ 0.00000 0.00000 0.00086 0.00000 0.00000 157 9PX 0.00156 0.00079 0.00000 -0.00527 -0.00156 158 9PY 0.00088 0.00019 0.00000 -0.00198 -0.00101 159 9PZ 0.00000 0.00000 -0.00161 0.00000 0.00000 160 10PX 0.00217 0.00004 0.00000 -0.00457 -0.00419 161 10PY 0.00022 0.00040 0.00000 -0.00255 -0.00079 162 10PZ 0.00000 0.00000 -0.00161 0.00000 0.00000 163 11XX 0.00075 0.00046 0.00000 -0.00069 0.00004 164 11YY 0.00069 0.00040 0.00000 -0.00044 0.00010 165 11ZZ 0.00073 0.00047 0.00000 -0.00067 -0.00001 166 11XY -0.00001 0.00001 0.00000 0.00002 -0.00001 167 11XZ 0.00000 0.00000 -0.00009 0.00000 0.00000 168 11YZ 0.00000 0.00000 -0.00002 0.00000 0.00000 169 12XX 0.00105 0.00033 0.00000 -0.00103 0.00164 170 12YY 0.00107 0.00056 0.00000 -0.00168 0.00189 171 12ZZ 0.00097 0.00033 0.00000 -0.00069 0.00197 172 12XY 0.00007 -0.00012 0.00000 -0.00021 0.00003 173 12XZ 0.00000 0.00000 0.00019 0.00000 0.00000 174 12YZ 0.00000 0.00000 -0.00003 0.00000 0.00000 126 127 128 129 130 126 8PZ 2.46805 127 9PX 0.00000 0.64119 128 9PY 0.00000 -0.06239 0.66898 129 9PZ -0.33478 0.00000 0.00000 0.70634 130 10PX 0.00000 0.45197 -0.09569 0.00000 0.33008 131 10PY 0.00000 -0.10487 0.50531 0.00000 -0.11029 132 10PZ -0.34071 0.00000 0.00000 0.58882 0.00000 133 11XX 0.00000 0.01804 0.00381 0.00000 0.04861 134 11YY 0.00000 0.00031 0.01406 0.00000 0.04202 135 11ZZ 0.00000 -0.00258 0.00024 0.00000 0.04126 136 11XY 0.00000 0.01137 0.01262 0.00000 0.00262 137 11XZ -0.00491 0.00000 0.00000 0.00887 0.00000 138 11YZ -0.00399 0.00000 0.00000 0.00726 0.00000 139 12XX 0.00000 -0.04966 0.00806 0.00000 -0.01978 140 12YY 0.00000 -0.00042 -0.03315 0.00000 0.01782 141 12ZZ 0.00000 -0.00482 0.00113 0.00000 0.01176 142 12XY 0.00000 -0.01540 -0.02598 0.00000 -0.00836 143 12XZ 0.01796 0.00000 0.00000 -0.03167 0.00000 144 12YZ 0.01436 0.00000 0.00000 -0.02532 0.00000 145 8 Br 1S 0.00000 0.00006 0.00017 0.00000 -0.00192 146 2S 0.00000 0.00028 -0.00082 0.00000 0.00991 147 3S 0.00000 -0.00134 0.00071 0.00000 -0.00794 148 4S 0.00000 -0.00235 -0.00028 0.00000 -0.01222 149 5S 0.00000 0.00632 -0.00730 0.00000 0.00687 150 6S 0.00000 -0.00183 0.02556 0.00000 -0.00399 151 7PX 0.00000 0.00156 0.00088 0.00000 0.00217 152 7PY 0.00000 0.00079 0.00019 0.00000 0.00004 153 7PZ 0.00086 0.00000 0.00000 -0.00161 0.00000 154 8PX 0.00000 -0.00527 -0.00197 0.00000 -0.00457 155 8PY 0.00000 -0.00157 -0.00101 0.00000 -0.00419 156 8PZ -0.00270 0.00000 0.00000 0.00516 0.00000 157 9PX 0.00000 0.01047 0.00247 0.00000 0.00796 158 9PY 0.00000 0.00247 0.00209 0.00000 0.00913 159 9PZ 0.00516 0.00000 0.00000 -0.00993 0.00000 160 10PX 0.00000 0.00797 0.00913 0.00000 0.00531 161 10PY 0.00000 0.00468 0.00130 0.00000 0.00859 162 10PZ 0.00446 0.00000 0.00000 -0.00831 0.00000 163 11XX 0.00000 0.00055 -0.00051 0.00000 0.00502 164 11YY 0.00000 0.00021 -0.00069 0.00000 0.00366 165 11ZZ 0.00000 0.00051 -0.00040 0.00000 0.00484 166 11XY 0.00000 -0.00005 0.00002 0.00000 -0.00008 167 11XZ 0.00026 0.00000 0.00000 -0.00048 0.00000 168 11YZ 0.00008 0.00000 0.00000 -0.00012 0.00000 169 12XX 0.00000 0.00113 -0.00393 0.00000 0.00244 170 12YY 0.00000 0.00249 -0.00473 0.00000 0.00402 171 12ZZ 0.00000 0.00047 -0.00463 0.00000 0.00208 172 12XY 0.00000 0.00034 0.00008 0.00000 0.00059 173 12XZ -0.00052 0.00000 0.00000 0.00092 0.00000 174 12YZ -0.00003 0.00000 0.00000 0.00008 0.00000 131 132 133 134 135 131 10PY 0.39284 132 10PZ 0.00000 0.49480 133 11XX 0.02647 0.00000 2.71483 134 11YY 0.03432 0.00000 -0.25784 2.71559 135 11ZZ 0.02781 0.00000 -0.25763 -0.25751 2.71675 136 11XY 0.00494 0.00000 -0.00094 -0.00090 -0.00033 137 11XZ 0.00000 0.00654 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00507 0.00000 0.00000 0.00000 139 12XX 0.02112 0.00000 0.28533 0.22234 0.22438 140 12YY -0.01439 0.00000 0.21953 0.28848 0.22539 141 12ZZ 0.01128 0.00000 0.21808 0.22202 0.28776 142 12XY -0.01765 0.00000 0.00292 0.00239 0.00056 143 12XZ 0.00000 -0.02654 0.00000 0.00000 0.00000 144 12YZ 0.00000 -0.02113 0.00000 0.00000 0.00000 145 8 Br 1S -0.00095 0.00000 -0.00105 -0.00101 -0.00105 146 2S 0.00443 0.00000 0.00709 0.00697 0.00708 147 3S -0.00266 0.00000 -0.00547 -0.00543 -0.00539 148 4S -0.00478 0.00000 -0.00484 -0.00473 -0.00483 149 5S -0.00616 0.00000 0.00801 0.00780 0.00728 150 6S 0.01709 0.00000 -0.03468 -0.03393 -0.03252 151 7PX 0.00022 0.00000 -0.00075 -0.00069 -0.00073 152 7PY 0.00040 0.00000 -0.00046 -0.00040 -0.00047 153 7PZ 0.00000 -0.00161 0.00000 0.00000 0.00000 154 8PX -0.00255 0.00000 0.00069 0.00044 0.00067 155 8PY -0.00079 0.00000 -0.00004 -0.00010 0.00001 156 8PZ 0.00000 0.00446 0.00000 0.00000 0.00000 157 9PX 0.00468 0.00000 -0.00055 -0.00021 -0.00051 158 9PY 0.00130 0.00000 0.00051 0.00069 0.00040 159 9PZ 0.00000 -0.00831 0.00000 0.00000 0.00000 160 10PX 0.00859 0.00000 -0.00502 -0.00366 -0.00484 161 10PY 0.00019 0.00000 -0.00152 -0.00197 -0.00157 162 10PZ 0.00000 -0.00699 0.00000 0.00000 0.00000 163 11XX 0.00152 0.00000 0.00465 0.00461 0.00461 164 11YY 0.00197 0.00000 0.00461 0.00461 0.00457 165 11ZZ 0.00157 0.00000 0.00461 0.00457 0.00455 166 11XY -0.00021 0.00000 0.00004 0.00003 0.00004 167 11XZ 0.00000 -0.00039 0.00000 0.00000 0.00000 168 11YZ 0.00000 -0.00030 0.00000 0.00000 0.00000 169 12XX -0.00209 0.00000 0.00729 0.00735 0.00689 170 12YY -0.00291 0.00000 0.00797 0.00780 0.00756 171 12ZZ -0.00265 0.00000 0.00740 0.00743 0.00710 172 12XY 0.00009 0.00000 -0.00043 -0.00040 -0.00045 173 12XZ 0.00000 0.00081 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00006 0.00000 0.00000 0.00000 136 137 138 139 140 136 11XY 1.98204 137 11XZ 0.00000 1.98235 138 11YZ 0.00000 -0.00031 1.98248 139 12XX -0.00313 0.00000 0.00000 0.08878 140 12YY -0.00353 0.00000 0.00000 0.08315 0.08656 141 12ZZ -0.00546 0.00000 0.00000 0.08248 0.08223 142 12XY 0.04457 0.00000 0.00000 0.00249 0.00265 143 12XZ 0.00000 0.04303 0.00074 0.00000 0.00000 144 12YZ 0.00000 0.00073 0.04273 0.00000 0.00000 145 8 Br 1S -0.00003 0.00000 0.00000 -0.00328 -0.00356 146 2S 0.00015 0.00000 0.00000 0.01619 0.01754 147 3S -0.00007 0.00000 0.00000 -0.01094 -0.01195 148 4S -0.00022 0.00000 0.00000 -0.01528 -0.01674 149 5S -0.00032 0.00000 0.00000 0.00174 0.00279 150 6S 0.00131 0.00000 0.00000 -0.01183 -0.01392 151 7PX 0.00001 0.00000 0.00000 -0.00105 -0.00107 152 7PY -0.00001 0.00000 0.00000 -0.00033 -0.00056 153 7PZ 0.00000 0.00009 0.00002 0.00000 0.00000 154 8PX -0.00002 0.00000 0.00000 0.00103 0.00169 155 8PY 0.00001 0.00000 0.00000 -0.00165 -0.00189 156 8PZ 0.00000 -0.00026 -0.00008 0.00000 0.00000 157 9PX 0.00005 0.00000 0.00000 -0.00114 -0.00249 158 9PY -0.00002 0.00000 0.00000 0.00393 0.00473 159 9PZ 0.00000 0.00048 0.00012 0.00000 0.00000 160 10PX 0.00008 0.00000 0.00000 -0.00244 -0.00402 161 10PY 0.00021 0.00000 0.00000 0.00209 0.00291 162 10PZ 0.00000 0.00039 0.00030 0.00000 0.00000 163 11XX 0.00004 0.00000 0.00000 0.00729 0.00797 164 11YY 0.00003 0.00000 0.00000 0.00735 0.00780 165 11ZZ 0.00004 0.00000 0.00000 0.00689 0.00756 166 11XY 0.00000 0.00000 0.00000 -0.00024 -0.00019 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 -0.00001 0.00000 0.00000 169 12XX -0.00024 0.00000 0.00000 0.00387 0.00433 170 12YY -0.00019 0.00000 0.00000 0.00433 0.00506 171 12ZZ -0.00026 0.00000 0.00000 0.00402 0.00460 172 12XY 0.00001 0.00000 0.00000 0.00003 0.00005 173 12XZ 0.00000 0.00000 0.00002 0.00000 0.00000 174 12YZ 0.00000 0.00002 0.00004 0.00000 0.00000 141 142 143 144 145 141 12ZZ 0.08287 142 12XY 0.00086 0.00307 143 12XZ 0.00000 0.00000 0.00246 144 12YZ 0.00000 0.00000 0.00119 0.00186 145 8 Br 1S -0.00332 0.00022 0.00000 0.00000 2.39615 146 2S 0.01644 -0.00105 0.00000 0.00000 -1.27293 147 3S -0.01120 0.00070 0.00000 0.00000 0.48905 148 4S -0.01570 0.00110 0.00000 0.00000 0.74723 149 5S 0.00238 0.00032 0.00000 0.00000 0.14013 150 6S -0.01245 -0.00114 0.00000 0.00000 0.23071 151 7PX -0.00097 -0.00007 0.00000 0.00000 0.00008 152 7PY -0.00033 0.00012 0.00000 0.00000 0.00018 153 7PZ 0.00000 0.00000 -0.00019 0.00003 0.00000 154 8PX 0.00069 0.00021 0.00000 0.00000 -0.00147 155 8PY -0.00197 -0.00003 0.00000 0.00000 -0.00130 156 8PZ 0.00000 0.00000 0.00052 0.00003 0.00000 157 9PX -0.00047 -0.00034 0.00000 0.00000 -0.00036 158 9PY 0.00464 -0.00008 0.00000 0.00000 0.00054 159 9PZ 0.00000 0.00000 -0.00092 -0.00008 0.00000 160 10PX -0.00209 -0.00059 0.00000 0.00000 0.01897 161 10PY 0.00265 -0.00009 0.00000 0.00000 0.01216 162 10PZ 0.00000 0.00000 -0.00081 -0.00006 0.00000 163 11XX 0.00740 -0.00043 0.00000 0.00000 -0.39295 164 11YY 0.00743 -0.00040 0.00000 0.00000 -0.39292 165 11ZZ 0.00710 -0.00045 0.00000 0.00000 -0.39309 166 11XY -0.00026 0.00001 0.00000 0.00000 0.00017 167 11XZ 0.00000 0.00000 0.00000 0.00002 0.00000 168 11YZ 0.00000 0.00000 0.00002 0.00004 0.00000 169 12XX 0.00402 0.00003 0.00000 0.00000 -0.12498 170 12YY 0.00460 0.00005 0.00000 0.00000 -0.12553 171 12ZZ 0.00418 0.00007 0.00000 0.00000 -0.12496 172 12XY 0.00007 -0.00003 0.00000 0.00000 -0.00034 173 12XZ 0.00000 0.00000 -0.00005 -0.00006 0.00000 174 12YZ 0.00000 0.00000 -0.00006 -0.00002 0.00000 146 147 148 149 150 146 2S 4.75259 147 3S -2.59637 2.01410 148 4S -3.79644 2.98758 4.46558 149 5S -0.52233 0.07436 -0.07079 1.01474 150 6S -1.00702 0.49779 0.61992 0.64317 0.62910 151 7PX -0.00687 0.01548 0.01559 -0.01692 0.03100 152 7PY -0.00508 0.01056 0.01134 -0.00996 0.01181 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.01217 -0.01847 -0.02935 0.02043 0.06658 155 8PY 0.01017 -0.01477 -0.02341 0.01911 0.04186 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX -0.00597 0.01806 0.04220 -0.02315 -0.17939 158 9PY -0.00869 0.01714 0.03604 -0.02911 -0.10402 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX -0.09855 0.08067 0.13319 -0.03485 -0.10545 161 10PY -0.06463 0.05548 0.09186 -0.03885 -0.05378 162 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 11XX 1.82406 -1.13382 -1.66657 -0.15806 -0.36373 164 11YY 1.82420 -1.13441 -1.66727 -0.15130 -0.37934 165 11ZZ 1.82519 -1.13531 -1.66938 -0.14774 -0.38414 166 11XY -0.00122 0.00142 0.00294 -0.00880 0.01624 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.59410 -0.39180 -0.57982 -0.02075 -0.12839 170 12YY 0.59599 -0.39167 -0.57894 -0.02713 -0.12567 171 12ZZ 0.59240 -0.38773 -0.57229 -0.03338 -0.12340 172 12XY 0.00313 -0.00493 -0.00888 0.01153 -0.00236 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 152 153 154 155 151 7PX 2.30243 152 7PY -0.00192 2.30346 153 7PZ 0.00000 0.00000 2.30488 154 8PX -0.85784 0.00584 0.00000 2.44748 155 8PY 0.00584 -0.86082 0.00000 -0.01761 2.45588 156 8PZ 0.00000 0.00000 -0.86501 0.00000 0.00000 157 9PX 0.05234 -0.01149 0.00000 -0.29690 0.03381 158 9PY -0.01145 0.05892 0.00000 0.03332 -0.31286 159 9PZ 0.00000 0.00000 0.06718 0.00000 0.00000 160 10PX 0.11336 -0.01686 0.00000 -0.26945 0.05182 161 10PY -0.01682 0.11733 0.00000 0.05561 -0.29561 162 10PZ 0.00000 0.00000 0.12998 0.00000 0.00000 163 11XX -0.01394 -0.00704 0.00000 0.01471 0.00511 164 11YY -0.01058 -0.00910 0.00000 0.00526 0.01075 165 11ZZ -0.01017 -0.00654 0.00000 0.00370 0.00329 166 11XY -0.00200 -0.00225 0.00000 0.00602 0.00677 167 11XZ 0.00000 0.00000 -0.00169 0.00000 0.00000 168 11YZ 0.00000 0.00000 -0.00138 0.00000 0.00000 169 12XX -0.00643 -0.01154 0.00000 -0.01947 0.00967 170 12YY -0.01767 -0.00199 0.00000 0.00886 -0.01422 171 12ZZ -0.01575 -0.00909 0.00000 0.00580 0.00513 172 12XY 0.00279 0.00468 0.00000 -0.00844 -0.01426 173 12XZ 0.00000 0.00000 0.00653 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00524 0.00000 0.00000 156 157 158 159 160 156 8PZ 2.46805 157 9PX 0.00000 0.64120 158 9PY 0.00000 -0.06239 0.66896 159 9PZ -0.33478 0.00000 0.00000 0.70634 160 10PX 0.00000 0.45200 -0.09570 0.00000 0.33011 161 10PY 0.00000 -0.10487 0.50529 0.00000 -0.11030 162 10PZ -0.34071 0.00000 0.00000 0.58882 0.00000 163 11XX 0.00000 -0.01804 -0.00381 0.00000 -0.04861 164 11YY 0.00000 -0.00031 -0.01406 0.00000 -0.04202 165 11ZZ 0.00000 0.00258 -0.00024 0.00000 -0.04125 166 11XY 0.00000 -0.01137 -0.01262 0.00000 -0.00262 167 11XZ 0.00491 0.00000 0.00000 -0.00887 0.00000 168 11YZ 0.00399 0.00000 0.00000 -0.00726 0.00000 169 12XX 0.00000 0.04966 -0.00806 0.00000 0.01978 170 12YY 0.00000 0.00042 0.03316 0.00000 -0.01783 171 12ZZ 0.00000 0.00482 -0.00113 0.00000 -0.01176 172 12XY 0.00000 0.01541 0.02598 0.00000 0.00836 173 12XZ -0.01796 0.00000 0.00000 0.03167 0.00000 174 12YZ -0.01436 0.00000 0.00000 0.02532 0.00000 161 162 163 164 165 161 10PY 0.39282 162 10PZ 0.00000 0.49480 163 11XX -0.02647 0.00000 2.71483 164 11YY -0.03433 0.00000 -0.25784 2.71559 165 11ZZ -0.02781 0.00000 -0.25763 -0.25751 2.71675 166 11XY -0.00494 0.00000 -0.00094 -0.00090 -0.00033 167 11XZ 0.00000 -0.00654 0.00000 0.00000 0.00000 168 11YZ 0.00000 -0.00507 0.00000 0.00000 0.00000 169 12XX -0.02112 0.00000 0.28533 0.22234 0.22438 170 12YY 0.01440 0.00000 0.21953 0.28848 0.22539 171 12ZZ -0.01128 0.00000 0.21808 0.22202 0.28776 172 12XY 0.01764 0.00000 0.00292 0.00239 0.00056 173 12XZ 0.00000 0.02654 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.02113 0.00000 0.00000 0.00000 166 167 168 169 170 166 11XY 1.98204 167 11XZ 0.00000 1.98235 168 11YZ 0.00000 -0.00031 1.98248 169 12XX -0.00313 0.00000 0.00000 0.08878 170 12YY -0.00353 0.00000 0.00000 0.08315 0.08657 171 12ZZ -0.00546 0.00000 0.00000 0.08248 0.08223 172 12XY 0.04457 0.00000 0.00000 0.00249 0.00265 173 12XZ 0.00000 0.04303 0.00074 0.00000 0.00000 174 12YZ 0.00000 0.00073 0.04273 0.00000 0.00000 171 172 173 174 171 12ZZ 0.08287 172 12XY 0.00086 0.00307 173 12XZ 0.00000 0.00000 0.00246 174 12YZ 0.00000 0.00000 0.00119 0.00186 Full Mulliken population analysis: 1 2 3 4 5 1 1 Al 1S 2.12840 2 2S -0.13046 2.18957 3 2PX 0.00000 0.00000 2.00062 4 2PY 0.00000 0.00000 0.00000 2.00842 5 2PZ 0.00000 0.00000 0.00000 0.00000 1.99289 6 3S -0.00021 -0.02433 0.00000 0.00000 0.00000 7 3PX 0.00000 0.00000 -0.00260 0.00000 0.00000 8 3PY 0.00000 0.00000 0.00000 -0.00758 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.00213 10 4S 0.00024 -0.00352 0.00000 0.00000 0.00000 11 4PX 0.00000 0.00000 -0.00126 0.00000 0.00000 12 4PY 0.00000 0.00000 0.00000 -0.00062 0.00000 13 4PZ 0.00000 0.00000 0.00000 0.00000 -0.00114 14 5XX 0.00004 -0.00395 0.00000 0.00000 0.00000 15 5YY 0.00005 -0.00524 0.00000 0.00000 0.00000 16 5ZZ 0.00004 -0.00284 0.00000 0.00000 0.00000 17 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 18 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 19 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 20 2 Al 1S 0.00000 0.00000 0.00000 0.00000 0.00000 21 2S 0.00000 0.00000 0.00000 0.00000 0.00000 22 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 23 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 24 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 25 3S 0.00000 0.00001 0.00000 0.00000 0.00000 26 3PX 0.00000 0.00002 -0.00006 -0.00001 0.00000 27 3PY 0.00000 0.00000 -0.00001 0.00000 0.00000 28 3PZ 0.00000 0.00000 0.00000 0.00000 0.00001 29 4S 0.00000 0.00005 0.00013 0.00002 0.00000 30 4PX -0.00001 0.00020 0.00006 0.00002 0.00000 31 4PY 0.00000 -0.00002 0.00003 0.00000 0.00000 32 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 33 5XX 0.00000 0.00000 -0.00001 0.00000 0.00000 34 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 35 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 36 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 37 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 38 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 39 3 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 40 2S 0.00000 0.00000 0.00000 0.00000 0.00000 41 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 42 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 43 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 44 3S 0.00000 0.00000 -0.00003 0.00000 -0.00005 45 3PX 0.00000 -0.00022 -0.00015 -0.00004 -0.00029 46 3PY 0.00000 -0.00004 -0.00004 0.00000 -0.00005 47 3PZ 0.00000 -0.00021 -0.00026 -0.00004 -0.00020 48 4S 0.00001 -0.00018 -0.00009 -0.00001 -0.00018 49 4PX 0.00004 -0.00169 -0.00033 -0.00014 -0.00101 50 4PY 0.00001 -0.00028 -0.00015 -0.00006 -0.00016 51 4PZ 0.00006 -0.00188 -0.00097 -0.00015 -0.00060 52 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 53 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 54 5ZZ 0.00000 0.00000 -0.00001 0.00000 0.00000 55 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 56 5XZ 0.00000 -0.00001 0.00000 0.00000 -0.00001 57 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 59 2S 0.00000 0.00000 0.00000 0.00000 0.00000 60 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 61 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 62 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 63 3S 0.00000 0.00000 -0.00003 0.00000 -0.00005 64 3PX 0.00000 -0.00022 -0.00015 -0.00004 -0.00029 65 3PY 0.00000 -0.00004 -0.00004 0.00000 -0.00005 66 3PZ 0.00000 -0.00021 -0.00026 -0.00004 -0.00020 67 4S 0.00001 -0.00018 -0.00009 -0.00001 -0.00018 68 4PX 0.00004 -0.00169 -0.00033 -0.00014 -0.00101 69 4PY 0.00001 -0.00028 -0.00015 -0.00006 -0.00016 70 4PZ 0.00006 -0.00188 -0.00097 -0.00015 -0.00060 71 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 72 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 73 5ZZ 0.00000 0.00000 -0.00001 0.00000 0.00000 74 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 75 5XZ 0.00000 -0.00001 0.00000 0.00000 -0.00001 76 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 5 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2S 0.00000 0.00000 0.00000 0.00000 0.00000 79 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 80 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 81 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 3S 0.00000 -0.00008 0.00000 -0.00036 0.00000 83 3PX 0.00000 -0.00003 -0.00009 -0.00004 0.00000 84 3PY 0.00002 -0.00185 -0.00003 -0.00271 0.00000 85 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00012 86 4S 0.00000 0.00030 0.00000 -0.00015 0.00000 87 4PX 0.00000 -0.00012 -0.00046 -0.00008 0.00000 88 4PY 0.00021 -0.00737 -0.00007 -0.00419 0.00000 89 4PZ 0.00000 0.00000 0.00000 0.00000 -0.00062 90 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 91 5YY 0.00000 -0.00006 0.00000 -0.00006 0.00000 92 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 94 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 99 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 100 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 3S 0.00000 0.00000 0.00000 0.00000 0.00000 102 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 103 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 104 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4S 0.00000 0.00000 0.00000 0.00000 0.00000 106 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 107 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 108 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 109 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 110 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 111 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 7 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00000 0.00000 0.00000 0.00000 0.00000 117 3S 0.00000 0.00000 0.00000 0.00000 0.00000 118 4S 0.00000 0.00000 0.00000 0.00000 0.00000 119 5S 0.00000 -0.00004 -0.00010 -0.00007 0.00000 120 6S 0.00000 0.00053 0.00022 0.00010 0.00000 121 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 122 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX 0.00000 -0.00055 -0.00038 -0.00049 0.00000 128 9PY 0.00000 -0.00032 -0.00047 -0.00010 0.00000 129 9PZ 0.00000 0.00000 0.00000 0.00000 -0.00005 130 10PX 0.00015 -0.00615 -0.00123 -0.00221 0.00000 131 10PY 0.00010 -0.00361 -0.00211 -0.00020 0.00000 132 10PZ 0.00000 0.00000 0.00000 0.00000 -0.00063 133 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00000 -0.00034 -0.00015 -0.00026 0.00000 140 12YY 0.00000 -0.00013 -0.00020 -0.00001 0.00000 141 12ZZ 0.00000 0.00000 -0.00001 0.00000 0.00000 142 12XY 0.00001 -0.00043 -0.00020 -0.00006 0.00000 143 12XZ 0.00000 0.00000 0.00000 0.00000 -0.00004 144 12YZ 0.00000 0.00000 0.00000 0.00000 -0.00002 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3S 0.00000 0.00000 0.00000 0.00000 0.00000 148 4S 0.00000 0.00000 0.00000 0.00000 0.00000 149 5S 0.00000 0.00000 0.00000 0.00000 0.00000 150 6S 0.00000 0.00000 0.00000 0.00000 0.00000 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 158 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 164 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 165 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 7 8 9 10 6 3S 0.61154 7 3PX 0.00000 0.19531 8 3PY 0.00000 0.00000 0.24758 9 3PZ 0.00000 0.00000 0.00000 0.13324 10 4S -0.01793 0.00000 0.00000 0.00000 0.03776 11 4PX 0.00000 0.01153 0.00000 0.00000 0.00000 12 4PY 0.00000 0.00000 -0.00280 0.00000 0.00000 13 4PZ 0.00000 0.00000 0.00000 0.00912 0.00000 14 5XX -0.01180 0.00000 0.00000 0.00000 -0.00320 15 5YY 0.00415 0.00000 0.00000 0.00000 0.00459 16 5ZZ -0.03210 0.00000 0.00000 0.00000 0.00029 17 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 18 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 19 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 20 2 Al 1S 0.00000 0.00000 0.00000 0.00000 0.00000 21 2S 0.00001 0.00002 0.00000 0.00000 0.00005 22 2PX 0.00000 -0.00006 -0.00001 0.00000 0.00013 23 2PY 0.00000 -0.00001 0.00000 0.00000 0.00002 24 2PZ 0.00000 0.00000 0.00000 0.00001 0.00000 25 3S -0.00100 0.00019 0.00004 0.00000 0.00318 26 3PX 0.00019 0.00423 0.00088 0.00000 -0.00510 27 3PY 0.00004 0.00088 -0.00001 0.00000 -0.00078 28 3PZ 0.00000 0.00000 0.00000 -0.00098 0.00000 29 4S 0.00318 -0.00510 -0.00078 0.00000 -0.00912 30 4PX 0.00278 -0.00228 0.00008 0.00000 -0.01100 31 4PY 0.00086 -0.00047 0.00084 0.00000 -0.00176 32 4PZ 0.00000 0.00000 0.00000 -0.00037 0.00000 33 5XX 0.00063 0.00183 0.00054 0.00000 0.00016 34 5YY 0.00008 0.00004 -0.00002 0.00000 -0.00033 35 5ZZ -0.00022 -0.00045 -0.00007 0.00000 -0.00017 36 5XY 0.00012 0.00076 0.00000 0.00000 0.00007 37 5XZ 0.00000 0.00000 0.00000 -0.00020 0.00000 38 5YZ 0.00000 0.00000 0.00000 -0.00003 0.00000 39 3 Cl 1S 0.00000 0.00001 0.00000 0.00001 -0.00003 40 2S 0.00009 -0.00029 -0.00004 -0.00050 0.00092 41 2PX -0.00032 -0.00025 -0.00010 -0.00061 0.00018 42 2PY -0.00005 -0.00010 -0.00003 -0.00010 0.00003 43 2PZ -0.00028 -0.00060 -0.00009 -0.00032 0.00003 44 3S -0.00296 0.00309 0.00042 0.00471 -0.00413 45 3PX 0.01175 0.00678 0.00316 0.02042 -0.00028 46 3PY 0.00193 0.00323 0.00127 0.00323 -0.00009 47 3PZ 0.01214 0.01994 0.00309 0.00933 -0.00134 48 4S -0.00402 -0.00296 -0.00060 0.00044 -0.00471 49 4PX 0.01424 0.00261 0.00268 0.01715 -0.00236 50 4PY 0.00241 0.00277 0.00176 0.00269 -0.00035 51 4PZ 0.01453 0.01663 0.00253 0.00541 -0.00192 52 5XX 0.00013 -0.00035 0.00006 0.00025 0.00005 53 5YY -0.00031 -0.00018 -0.00007 -0.00017 0.00010 54 5ZZ 0.00071 0.00138 0.00021 0.00024 -0.00018 55 5XY 0.00006 0.00002 0.00005 0.00006 0.00000 56 5XZ 0.00073 0.00023 0.00013 0.00043 0.00001 57 5YZ 0.00011 0.00013 0.00007 0.00007 0.00000 58 4 Cl 1S 0.00000 0.00001 0.00000 0.00001 -0.00003 59 2S 0.00009 -0.00029 -0.00004 -0.00050 0.00092 60 2PX -0.00032 -0.00025 -0.00010 -0.00061 0.00018 61 2PY -0.00005 -0.00010 -0.00003 -0.00010 0.00003 62 2PZ -0.00028 -0.00060 -0.00009 -0.00032 0.00003 63 3S -0.00296 0.00309 0.00042 0.00470 -0.00413 64 3PX 0.01174 0.00678 0.00316 0.02041 -0.00028 65 3PY 0.00193 0.00322 0.00127 0.00323 -0.00009 66 3PZ 0.01214 0.01993 0.00309 0.00933 -0.00133 67 4S -0.00402 -0.00296 -0.00060 0.00044 -0.00471 68 4PX 0.01424 0.00261 0.00268 0.01715 -0.00236 69 4PY 0.00241 0.00277 0.00176 0.00268 -0.00035 70 4PZ 0.01452 0.01662 0.00253 0.00541 -0.00192 71 5XX 0.00013 -0.00035 0.00006 0.00025 0.00005 72 5YY -0.00031 -0.00018 -0.00007 -0.00017 0.00010 73 5ZZ 0.00071 0.00138 0.00021 0.00024 -0.00018 74 5XY 0.00006 0.00002 0.00005 0.00006 0.00000 75 5XZ 0.00073 0.00023 0.00013 0.00043 0.00001 76 5YZ 0.00011 0.00013 0.00007 0.00007 0.00000 77 5 Cl 1S 0.00000 0.00000 0.00006 0.00000 -0.00006 78 2S -0.00015 -0.00002 -0.00212 0.00000 0.00189 79 2PX -0.00001 -0.00026 -0.00006 0.00000 -0.00002 80 2PY -0.00179 -0.00004 -0.00354 0.00000 0.00009 81 2PZ 0.00000 0.00000 0.00000 -0.00033 0.00000 82 3S -0.00097 0.00015 0.01900 0.00000 -0.00755 83 3PX 0.00030 0.00969 0.00179 0.00000 0.00101 84 3PY 0.06458 0.00113 0.09573 0.00000 -0.00157 85 3PZ 0.00000 0.00000 0.00000 0.01224 0.00000 86 4S -0.01722 -0.00003 -0.01613 0.00000 -0.00369 87 4PX 0.00022 0.01285 0.00129 0.00000 0.00156 88 4PY 0.06030 0.00087 0.05017 0.00000 -0.00155 89 4PZ 0.00000 0.00000 0.00000 0.01797 0.00000 90 5XX -0.00079 -0.00002 -0.00111 0.00000 0.00014 91 5YY 0.00498 0.00009 0.00561 0.00000 -0.00042 92 5ZZ -0.00083 -0.00002 -0.00116 0.00000 0.00007 93 5XY 0.00004 0.00047 0.00012 0.00000 0.00001 94 5XZ 0.00000 0.00000 0.00000 0.00001 0.00000 95 5YZ 0.00000 0.00000 0.00000 0.00049 0.00000 96 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2S 0.00000 0.00000 0.00000 0.00000 -0.00002 98 2PX 0.00000 0.00000 0.00000 0.00000 0.00001 99 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 100 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 3S 0.00000 0.00000 0.00000 0.00000 0.00009 102 3PX 0.00000 -0.00001 -0.00001 0.00000 -0.00052 103 3PY 0.00000 0.00000 0.00000 0.00000 0.00017 104 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4S 0.00000 0.00006 -0.00002 0.00000 -0.00004 106 4PX -0.00001 -0.00007 -0.00010 0.00000 -0.00132 107 4PY 0.00002 0.00006 -0.00003 0.00000 0.00032 108 4PZ 0.00000 0.00000 0.00000 0.00003 0.00000 109 5XX 0.00000 0.00000 0.00000 0.00000 -0.00001 110 5YY 0.00000 0.00000 0.00000 0.00000 0.00002 111 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 5XY 0.00000 0.00000 0.00000 0.00000 -0.00001 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 7 Br 1S 0.00000 -0.00001 0.00000 0.00000 -0.00007 116 2S -0.00010 0.00024 0.00013 0.00000 0.00230 117 3S 0.00018 -0.00073 -0.00042 0.00000 -0.00410 118 4S 0.00071 -0.00227 -0.00131 0.00000 -0.01124 119 5S 0.00085 0.01016 0.00657 0.00000 -0.00199 120 6S -0.02318 -0.02103 -0.01382 0.00000 -0.01174 121 7PX 0.00002 0.00002 0.00004 0.00000 -0.00001 122 7PY 0.00001 0.00003 0.00001 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00001 0.00000 124 8PX -0.00167 -0.00135 -0.00218 0.00000 -0.00015 125 8PY -0.00117 -0.00200 -0.00030 0.00000 0.00029 126 8PZ 0.00000 0.00000 0.00000 -0.00045 0.00000 127 9PX 0.02846 0.01795 0.03195 0.00000 0.00564 128 9PY 0.02075 0.02931 0.00346 0.00000 -0.00490 129 9PZ 0.00000 0.00000 0.00000 0.00816 0.00000 130 10PX 0.05073 0.01351 0.04003 0.00000 0.01162 131 10PY 0.03786 0.03635 0.00059 0.00000 -0.01216 132 10PZ 0.00000 0.00000 0.00000 0.02016 0.00000 133 11XX -0.00048 0.00051 0.00002 0.00000 0.00386 134 11YY -0.00035 0.00049 0.00044 0.00000 0.00502 135 11ZZ 0.00012 0.00083 0.00048 0.00000 0.00431 136 11XY -0.00017 -0.00012 -0.00005 0.00000 -0.00001 137 11XZ 0.00000 0.00000 0.00000 -0.00002 0.00000 138 11YZ 0.00000 0.00000 0.00000 -0.00002 0.00000 139 12XX 0.00556 0.00376 0.00663 0.00000 0.00751 140 12YY 0.00316 0.00609 0.00087 0.00000 0.00515 141 12ZZ -0.00027 0.00180 0.00115 0.00000 0.00562 142 12XY 0.00434 0.00179 0.00053 0.00000 -0.00009 143 12XZ 0.00000 0.00000 0.00000 0.00093 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00055 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3S 0.00000 0.00000 0.00000 0.00000 0.00001 148 4S 0.00000 0.00000 0.00000 0.00000 0.00002 149 5S 0.00000 0.00000 0.00000 0.00000 0.00009 150 6S -0.00001 0.00007 0.00000 0.00000 -0.00015 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00000 -0.00001 0.00000 0.00000 -0.00027 158 9PY 0.00000 0.00000 0.00000 0.00000 0.00003 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX -0.00001 -0.00015 0.00000 0.00000 -0.00126 161 10PY 0.00000 0.00001 0.00001 0.00000 0.00010 162 10PZ 0.00000 0.00000 0.00000 0.00003 0.00000 163 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 164 11YY 0.00000 0.00000 0.00000 0.00000 -0.00003 165 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 -0.00001 0.00000 0.00000 -0.00005 170 12YY 0.00000 0.00000 0.00000 0.00000 0.00004 171 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 11 12 13 14 15 11 4PX 0.04390 12 4PY 0.00000 0.02400 13 4PZ 0.00000 0.00000 0.02010 14 5XX 0.00000 0.00000 0.00000 0.01413 15 5YY 0.00000 0.00000 0.00000 -0.00410 0.01904 16 5ZZ 0.00000 0.00000 0.00000 0.00091 -0.00234 17 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 18 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 19 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 20 2 Al 1S -0.00001 0.00000 0.00000 0.00000 0.00000 21 2S 0.00020 -0.00002 0.00000 0.00000 0.00000 22 2PX 0.00006 0.00003 0.00000 -0.00001 0.00000 23 2PY 0.00002 0.00000 0.00000 0.00000 0.00000 24 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 25 3S 0.00278 0.00086 0.00000 0.00063 0.00008 26 3PX -0.00227 -0.00047 0.00000 0.00183 0.00004 27 3PY 0.00008 0.00084 0.00000 0.00054 -0.00002 28 3PZ 0.00000 0.00000 -0.00037 0.00000 0.00000 29 4S -0.01100 -0.00177 0.00000 0.00016 -0.00033 30 4PX -0.00498 -0.00187 0.00000 -0.00040 -0.00067 31 4PY -0.00187 0.00152 0.00000 0.00020 -0.00022 32 4PZ 0.00000 0.00000 0.00075 0.00000 0.00000 33 5XX -0.00040 0.00020 0.00000 0.00021 -0.00005 34 5YY -0.00067 -0.00022 0.00000 -0.00005 -0.00001 35 5ZZ 0.00049 0.00005 0.00000 0.00000 0.00001 36 5XY 0.00017 0.00007 0.00000 0.00030 -0.00001 37 5XZ 0.00000 0.00000 -0.00018 0.00000 0.00000 38 5YZ 0.00000 0.00000 -0.00003 0.00000 0.00000 39 3 Cl 1S -0.00002 0.00000 -0.00002 0.00000 0.00000 40 2S 0.00079 0.00013 0.00074 -0.00001 0.00001 41 2PX -0.00002 0.00002 0.00008 0.00001 0.00001 42 2PY 0.00001 -0.00009 0.00001 -0.00002 -0.00001 43 2PZ 0.00005 0.00001 0.00000 -0.00009 0.00001 44 3S -0.00451 -0.00066 -0.00392 0.00017 -0.00030 45 3PX 0.00069 0.00015 -0.00136 -0.00063 -0.00087 46 3PY 0.00027 0.00398 -0.00020 0.00082 0.00031 47 3PZ -0.00107 -0.00029 0.00023 0.00386 -0.00085 48 4S -0.00638 -0.00109 -0.00610 0.00027 -0.00077 49 4PX 0.00260 -0.00013 -0.00252 -0.00066 -0.00233 50 4PY 0.00006 0.00640 -0.00041 0.00121 -0.00028 51 4PZ -0.00203 -0.00042 0.00167 0.00464 -0.00210 52 5XX 0.00005 0.00002 0.00019 -0.00002 0.00001 53 5YY 0.00016 0.00002 0.00015 -0.00004 0.00001 54 5ZZ -0.00012 -0.00003 -0.00028 0.00022 -0.00004 55 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 56 5XZ 0.00000 0.00000 0.00000 -0.00005 -0.00003 57 5YZ 0.00000 0.00004 0.00000 0.00001 0.00001 58 4 Cl 1S -0.00002 0.00000 -0.00002 0.00000 0.00000 59 2S 0.00079 0.00013 0.00074 -0.00001 0.00001 60 2PX -0.00002 0.00002 0.00008 0.00001 0.00001 61 2PY 0.00001 -0.00009 0.00001 -0.00002 -0.00001 62 2PZ 0.00005 0.00001 0.00000 -0.00009 0.00001 63 3S -0.00451 -0.00066 -0.00392 0.00017 -0.00030 64 3PX 0.00069 0.00015 -0.00136 -0.00063 -0.00087 65 3PY 0.00027 0.00398 -0.00020 0.00082 0.00031 66 3PZ -0.00107 -0.00029 0.00023 0.00386 -0.00085 67 4S -0.00638 -0.00109 -0.00610 0.00027 -0.00077 68 4PX 0.00260 -0.00013 -0.00252 -0.00065 -0.00233 69 4PY 0.00006 0.00640 -0.00041 0.00121 -0.00028 70 4PZ -0.00203 -0.00042 0.00167 0.00464 -0.00210 71 5XX 0.00005 0.00002 0.00019 -0.00002 0.00001 72 5YY 0.00016 0.00002 0.00015 -0.00004 0.00001 73 5ZZ -0.00012 -0.00003 -0.00028 0.00022 -0.00004 74 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 75 5XZ 0.00000 0.00000 0.00000 -0.00005 -0.00003 76 5YZ 0.00000 0.00004 0.00000 0.00001 0.00001 77 5 Cl 1S 0.00000 -0.00007 0.00000 0.00000 0.00002 78 2S -0.00007 0.00209 0.00000 0.00001 -0.00087 79 2PX -0.00040 0.00000 0.00000 0.00000 -0.00004 80 2PY 0.00000 0.00011 0.00000 0.00002 -0.00115 81 2PZ 0.00000 0.00000 -0.00024 0.00000 0.00000 82 3S 0.00009 -0.00769 0.00000 -0.00065 0.00942 83 3PX 0.01911 0.00009 0.00000 0.00012 0.00113 84 3PY 0.00019 -0.00293 0.00000 -0.00357 0.02500 85 3PZ 0.00000 0.00000 0.01030 0.00000 0.00000 86 4S -0.00004 -0.00821 0.00000 -0.00033 0.00339 87 4PX 0.02927 0.00022 0.00000 -0.00002 0.00081 88 4PY 0.00022 -0.00179 0.00000 -0.00782 0.01360 89 4PZ 0.00000 0.00000 0.01591 0.00000 0.00000 90 5XX -0.00003 0.00034 0.00000 0.00003 -0.00024 91 5YY 0.00005 -0.00039 0.00000 -0.00011 0.00116 92 5ZZ 0.00000 0.00024 0.00000 0.00001 -0.00023 93 5XY 0.00019 0.00000 0.00000 0.00001 0.00006 94 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 5YZ 0.00000 0.00000 0.00011 0.00000 0.00000 96 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2S -0.00001 -0.00005 0.00000 0.00000 0.00000 98 2PX 0.00001 0.00000 0.00000 0.00000 0.00000 99 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 100 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 3S 0.00007 0.00018 0.00000 0.00000 0.00000 102 3PX -0.00059 -0.00019 0.00000 0.00000 0.00000 103 3PY 0.00001 0.00006 0.00000 0.00000 0.00000 104 3PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 105 4S 0.00006 -0.00018 0.00000 0.00001 -0.00001 106 4PX -0.00109 -0.00042 0.00000 -0.00001 -0.00001 107 4PY 0.00003 -0.00008 0.00000 -0.00001 -0.00002 108 4PZ 0.00000 0.00000 -0.00005 0.00000 0.00000 109 5XX -0.00001 0.00000 0.00000 0.00000 0.00000 110 5YY 0.00001 0.00001 0.00000 0.00000 0.00000 111 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 5XY -0.00001 0.00000 0.00000 0.00000 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 7 Br 1S -0.00005 -0.00006 0.00000 0.00000 0.00000 116 2S 0.00151 0.00193 0.00000 0.00003 0.00000 117 3S -0.00281 -0.00351 0.00000 -0.00009 -0.00001 118 4S -0.00763 -0.00954 0.00000 -0.00033 -0.00003 119 5S 0.00244 0.00099 0.00000 0.00132 0.00010 120 6S -0.01116 -0.00927 0.00000 0.00142 0.00019 121 7PX 0.00000 -0.00001 0.00000 0.00000 0.00001 122 7PY 0.00000 0.00000 0.00000 0.00001 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00009 -0.00023 0.00000 0.00010 -0.00023 125 8PY -0.00040 -0.00016 0.00000 -0.00047 0.00014 126 8PZ 0.00000 0.00000 -0.00061 0.00000 0.00000 127 9PX -0.00075 0.00518 0.00000 -0.00216 0.00386 128 9PY 0.00733 0.00343 0.00000 0.00777 -0.00224 129 9PZ 0.00000 0.00000 0.01072 0.00000 0.00000 130 10PX 0.00305 0.00926 0.00000 -0.00372 0.00817 131 10PY 0.01320 0.01225 0.00000 0.01278 -0.00499 132 10PZ 0.00000 0.00000 0.02612 0.00000 0.00000 133 11XX 0.00345 0.00326 0.00000 0.00013 0.00001 134 11YY 0.00220 0.00395 0.00000 0.00008 0.00002 135 11ZZ 0.00284 0.00353 0.00000 0.00006 0.00000 136 11XY 0.00000 0.00000 0.00000 0.00001 0.00002 137 11XZ 0.00000 0.00000 -0.00001 0.00000 0.00000 138 11YZ 0.00000 0.00000 -0.00001 0.00000 0.00000 139 12XX 0.00239 0.00659 0.00000 -0.00006 0.00057 140 12YY 0.00638 0.00275 0.00000 0.00084 -0.00012 141 12ZZ 0.00409 0.00454 0.00000 0.00007 0.00001 142 12XY 0.00001 0.00006 0.00000 0.00029 -0.00012 143 12XZ 0.00000 0.00000 0.00034 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00024 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S -0.00004 0.00000 0.00000 0.00000 0.00000 147 3S 0.00007 0.00001 0.00000 0.00000 0.00000 148 4S 0.00021 0.00002 0.00000 0.00000 0.00000 149 5S 0.00014 0.00000 0.00000 0.00000 0.00000 150 6S 0.00017 0.00000 0.00000 0.00000 0.00000 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00001 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX -0.00064 0.00002 0.00000 0.00000 0.00000 158 9PY 0.00003 0.00009 0.00000 0.00000 0.00000 159 9PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 160 10PX -0.00208 0.00007 0.00000 -0.00007 0.00000 161 10PY 0.00011 0.00035 0.00000 0.00000 0.00000 162 10PZ 0.00000 0.00000 -0.00005 0.00000 0.00000 163 11XX -0.00007 -0.00001 0.00000 0.00000 0.00000 164 11YY -0.00012 -0.00001 0.00000 0.00000 0.00000 165 11ZZ -0.00007 -0.00001 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX -0.00030 -0.00002 0.00000 0.00000 0.00000 170 12YY -0.00009 -0.00001 0.00000 0.00000 0.00000 171 12ZZ -0.00012 -0.00001 0.00000 0.00000 0.00000 172 12XY 0.00000 0.00001 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 17 18 19 20 16 5ZZ 0.01159 17 5XY 0.00000 0.01847 18 5XZ 0.00000 0.00000 0.01513 19 5YZ 0.00000 0.00000 0.00000 0.01162 20 2 Al 1S 0.00000 0.00000 0.00000 0.00000 2.12840 21 2S 0.00000 0.00000 0.00000 0.00000 -0.13046 22 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 23 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 24 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 25 3S -0.00022 0.00012 0.00000 0.00000 -0.00021 26 3PX -0.00045 0.00076 0.00000 0.00000 0.00000 27 3PY -0.00007 0.00000 0.00000 0.00000 0.00000 28 3PZ 0.00000 0.00000 -0.00020 -0.00003 0.00000 29 4S -0.00017 0.00007 0.00000 0.00000 0.00024 30 4PX 0.00049 0.00017 0.00000 0.00000 0.00000 31 4PY 0.00005 0.00007 0.00000 0.00000 0.00000 32 4PZ 0.00000 0.00000 -0.00018 -0.00003 0.00000 33 5XX 0.00000 0.00030 0.00000 0.00000 0.00004 34 5YY 0.00001 -0.00001 0.00000 0.00000 0.00005 35 5ZZ -0.00001 -0.00001 0.00000 0.00000 0.00004 36 5XY -0.00001 0.00002 0.00000 0.00000 0.00000 37 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 38 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 39 3 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 40 2S -0.00010 -0.00003 -0.00020 -0.00003 0.00000 41 2PX -0.00011 -0.00004 -0.00015 -0.00005 0.00000 42 2PY -0.00002 0.00000 -0.00005 0.00000 0.00000 43 2PZ 0.00001 -0.00006 -0.00020 -0.00003 0.00000 44 3S 0.00181 0.00035 0.00278 0.00045 0.00000 45 3PX 0.00467 0.00111 0.00472 0.00191 0.00000 46 3PY 0.00076 0.00045 0.00189 0.00050 0.00000 47 3PZ -0.00060 0.00208 0.00641 0.00103 0.00000 48 4S 0.00179 0.00027 0.00197 0.00032 0.00001 49 4PX 0.00543 0.00045 0.00158 0.00132 0.00004 50 4PY 0.00088 0.00084 0.00130 0.00119 0.00001 51 4PZ -0.00057 0.00130 0.00277 0.00045 0.00006 52 5XX -0.00002 -0.00003 -0.00004 0.00001 0.00000 53 5YY 0.00000 -0.00001 -0.00007 -0.00001 0.00000 54 5ZZ -0.00003 0.00013 0.00017 0.00003 0.00000 55 5XY -0.00001 0.00000 0.00003 0.00000 0.00000 56 5XZ 0.00010 0.00003 0.00019 0.00006 0.00000 57 5YZ 0.00002 0.00001 0.00006 0.00001 0.00000 58 4 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 59 2S -0.00010 -0.00003 -0.00020 -0.00003 0.00000 60 2PX -0.00011 -0.00004 -0.00015 -0.00005 0.00000 61 2PY -0.00002 0.00000 -0.00005 0.00000 0.00000 62 2PZ 0.00000 -0.00006 -0.00020 -0.00003 0.00000 63 3S 0.00181 0.00035 0.00278 0.00045 0.00000 64 3PX 0.00467 0.00111 0.00472 0.00191 0.00000 65 3PY 0.00076 0.00045 0.00189 0.00050 0.00000 66 3PZ -0.00060 0.00208 0.00641 0.00103 0.00000 67 4S 0.00179 0.00027 0.00197 0.00032 0.00001 68 4PX 0.00543 0.00045 0.00158 0.00132 0.00004 69 4PY 0.00088 0.00084 0.00130 0.00119 0.00001 70 4PZ -0.00056 0.00130 0.00277 0.00045 0.00006 71 5XX -0.00002 -0.00003 -0.00004 0.00001 0.00000 72 5YY 0.00000 -0.00001 -0.00007 -0.00001 0.00000 73 5ZZ -0.00003 0.00013 0.00017 0.00003 0.00000 74 5XY -0.00001 0.00000 0.00003 0.00000 0.00000 75 5XZ 0.00010 0.00003 0.00019 0.00006 0.00000 76 5YZ 0.00002 0.00001 0.00006 0.00001 0.00000 77 5 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2S 0.00000 -0.00003 0.00000 0.00000 0.00000 79 2PX 0.00000 -0.00020 0.00000 0.00000 0.00000 80 2PY 0.00001 -0.00007 0.00000 0.00000 0.00000 81 2PZ 0.00000 0.00000 0.00000 -0.00022 0.00000 82 3S -0.00046 0.00030 0.00000 0.00000 0.00000 83 3PX -0.00004 0.00874 0.00000 0.00000 0.00000 84 3PY -0.00249 0.00159 0.00000 0.00000 0.00000 85 3PZ 0.00000 0.00000 0.00014 0.00932 0.00000 86 4S 0.00000 0.00010 0.00000 0.00000 0.00000 87 4PX -0.00013 0.00958 0.00000 0.00000 0.00000 88 4PY -0.00557 0.00060 0.00000 0.00000 0.00000 89 4PZ 0.00000 0.00000 0.00012 0.01038 0.00000 90 5XX 0.00001 0.00000 0.00000 0.00000 0.00000 91 5YY -0.00010 0.00008 0.00000 0.00000 0.00000 92 5ZZ 0.00003 -0.00001 0.00000 0.00000 0.00000 93 5XY 0.00000 0.00022 0.00000 0.00000 0.00000 94 5XZ 0.00000 0.00000 0.00001 0.00001 0.00000 95 5YZ 0.00000 0.00000 0.00000 0.00030 0.00000 96 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 99 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 100 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 3S 0.00000 0.00000 0.00000 0.00000 0.00000 102 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 103 3PY 0.00000 0.00000 0.00000 0.00000 0.00002 104 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4S 0.00000 0.00000 0.00000 0.00000 0.00000 106 4PX 0.00000 -0.00002 0.00000 0.00000 0.00000 107 4PY 0.00001 -0.00001 0.00000 0.00000 0.00021 108 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 109 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 110 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 111 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 7 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00000 0.00004 0.00000 0.00000 0.00000 117 3S 0.00000 -0.00018 0.00000 0.00000 0.00000 118 4S 0.00001 -0.00072 0.00000 0.00000 0.00000 119 5S -0.00025 0.00342 0.00000 0.00000 0.00000 120 6S 0.00040 0.00114 0.00000 0.00000 0.00000 121 7PX 0.00000 0.00001 0.00000 0.00000 0.00000 122 7PY 0.00000 0.00001 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00001 -0.00078 0.00000 0.00000 0.00000 125 8PY 0.00000 -0.00031 0.00000 0.00000 0.00000 126 8PZ 0.00000 0.00000 -0.00015 -0.00009 0.00000 127 9PX -0.00094 0.01043 0.00000 0.00000 0.00000 128 9PY -0.00049 0.00369 0.00000 0.00000 0.00000 129 9PZ 0.00000 0.00000 0.00355 0.00199 0.00000 130 10PX -0.00450 0.00571 0.00000 0.00000 0.00000 131 10PY -0.00212 0.00119 0.00000 0.00000 0.00000 132 10PZ 0.00000 0.00000 0.00674 0.00400 0.00000 133 11XX 0.00000 0.00015 0.00000 0.00000 0.00000 134 11YY 0.00000 0.00017 0.00000 0.00000 0.00000 135 11ZZ -0.00001 0.00014 0.00000 0.00000 0.00000 136 11XY 0.00000 -0.00003 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 -0.00001 -0.00001 0.00000 138 11YZ 0.00000 0.00000 -0.00001 0.00000 0.00000 139 12XX -0.00027 0.00099 0.00000 0.00000 0.00000 140 12YY -0.00016 0.00023 0.00000 0.00000 0.00000 141 12ZZ -0.00004 0.00011 0.00000 0.00000 0.00000 142 12XY -0.00020 0.00045 0.00000 0.00000 0.00000 143 12XZ 0.00000 0.00000 0.00024 0.00032 0.00000 144 12YZ 0.00000 0.00000 0.00024 0.00007 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3S 0.00000 0.00000 0.00000 0.00000 0.00000 148 4S 0.00000 0.00000 0.00000 0.00000 0.00000 149 5S 0.00000 0.00000 0.00000 0.00000 0.00000 150 6S 0.00000 0.00000 0.00000 0.00000 0.00000 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 158 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX 0.00001 0.00000 0.00000 0.00000 0.00015 161 10PY 0.00000 0.00000 0.00000 0.00000 0.00010 162 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 164 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 165 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 12XY 0.00000 0.00000 0.00000 0.00000 0.00001 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 21 22 23 24 25 21 2S 2.18957 22 2PX 0.00000 2.00062 23 2PY 0.00000 0.00000 2.00842 24 2PZ 0.00000 0.00000 0.00000 1.99289 25 3S -0.02432 0.00000 0.00000 0.00000 0.61154 26 3PX 0.00000 -0.00260 0.00000 0.00000 0.00000 27 3PY 0.00000 0.00000 -0.00758 0.00000 0.00000 28 3PZ 0.00000 0.00000 0.00000 0.00213 0.00000 29 4S -0.00352 0.00000 0.00000 0.00000 -0.01793 30 4PX 0.00000 -0.00126 0.00000 0.00000 0.00000 31 4PY 0.00000 0.00000 -0.00062 0.00000 0.00000 32 4PZ 0.00000 0.00000 0.00000 -0.00114 0.00000 33 5XX -0.00395 0.00000 0.00000 0.00000 -0.01180 34 5YY -0.00524 0.00000 0.00000 0.00000 0.00415 35 5ZZ -0.00284 0.00000 0.00000 0.00000 -0.03210 36 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 37 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 38 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 39 3 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 40 2S 0.00000 0.00000 0.00000 0.00000 0.00009 41 2PX 0.00000 0.00000 0.00000 0.00000 -0.00032 42 2PY 0.00000 0.00000 0.00000 0.00000 -0.00005 43 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00028 44 3S 0.00000 -0.00003 0.00000 -0.00005 -0.00296 45 3PX -0.00022 -0.00015 -0.00004 -0.00029 0.01175 46 3PY -0.00004 -0.00004 0.00000 -0.00005 0.00193 47 3PZ -0.00021 -0.00026 -0.00004 -0.00020 0.01214 48 4S -0.00018 -0.00009 -0.00001 -0.00018 -0.00402 49 4PX -0.00169 -0.00033 -0.00014 -0.00101 0.01424 50 4PY -0.00028 -0.00015 -0.00006 -0.00016 0.00240 51 4PZ -0.00188 -0.00097 -0.00015 -0.00060 0.01452 52 5XX 0.00000 0.00000 0.00000 0.00000 0.00013 53 5YY 0.00000 0.00000 0.00000 0.00000 -0.00031 54 5ZZ 0.00000 -0.00001 0.00000 0.00000 0.00071 55 5XY 0.00000 0.00000 0.00000 0.00000 0.00006 56 5XZ -0.00001 0.00000 0.00000 -0.00001 0.00073 57 5YZ 0.00000 0.00000 0.00000 0.00000 0.00011 58 4 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 59 2S 0.00000 0.00000 0.00000 0.00000 0.00009 60 2PX 0.00000 0.00000 0.00000 0.00000 -0.00032 61 2PY 0.00000 0.00000 0.00000 0.00000 -0.00005 62 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00028 63 3S 0.00000 -0.00003 0.00000 -0.00005 -0.00296 64 3PX -0.00022 -0.00015 -0.00004 -0.00029 0.01175 65 3PY -0.00004 -0.00004 0.00000 -0.00005 0.00193 66 3PZ -0.00021 -0.00026 -0.00004 -0.00020 0.01214 67 4S -0.00018 -0.00009 -0.00001 -0.00018 -0.00402 68 4PX -0.00169 -0.00033 -0.00014 -0.00101 0.01424 69 4PY -0.00028 -0.00015 -0.00006 -0.00016 0.00240 70 4PZ -0.00188 -0.00097 -0.00015 -0.00060 0.01453 71 5XX 0.00000 0.00000 0.00000 0.00000 0.00013 72 5YY 0.00000 0.00000 0.00000 0.00000 -0.00031 73 5ZZ 0.00000 -0.00001 0.00000 0.00000 0.00071 74 5XY 0.00000 0.00000 0.00000 0.00000 0.00006 75 5XZ -0.00001 0.00000 0.00000 -0.00001 0.00073 76 5YZ 0.00000 0.00000 0.00000 0.00000 0.00011 77 5 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2S 0.00000 0.00000 0.00000 0.00000 0.00000 79 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 80 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 81 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 3S 0.00000 0.00000 0.00000 0.00000 0.00000 83 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 84 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 85 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 86 4S 0.00000 0.00000 0.00000 0.00000 0.00000 87 4PX 0.00000 0.00000 0.00000 0.00000 -0.00001 88 4PY 0.00000 0.00000 0.00000 0.00000 0.00002 89 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 91 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 92 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 94 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2S 0.00000 0.00000 0.00000 0.00000 -0.00015 98 2PX 0.00000 0.00000 0.00000 0.00000 -0.00001 99 2PY 0.00000 0.00000 0.00000 0.00000 -0.00179 100 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 3S -0.00008 0.00000 -0.00036 0.00000 -0.00097 102 3PX -0.00003 -0.00009 -0.00004 0.00000 0.00030 103 3PY -0.00185 -0.00003 -0.00271 0.00000 0.06458 104 3PZ 0.00000 0.00000 0.00000 -0.00012 0.00000 105 4S 0.00030 0.00000 -0.00015 0.00000 -0.01722 106 4PX -0.00012 -0.00046 -0.00008 0.00000 0.00022 107 4PY -0.00737 -0.00007 -0.00419 0.00000 0.06030 108 4PZ 0.00000 0.00000 0.00000 -0.00062 0.00000 109 5XX 0.00000 0.00000 0.00000 0.00000 -0.00079 110 5YY -0.00006 0.00000 -0.00006 0.00000 0.00498 111 5ZZ 0.00000 0.00000 0.00000 0.00000 -0.00083 112 5XY 0.00000 0.00000 0.00000 0.00000 0.00004 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 7 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00000 0.00000 0.00000 0.00000 0.00000 117 3S 0.00000 0.00000 0.00000 0.00000 0.00000 118 4S 0.00000 0.00000 0.00000 0.00000 0.00000 119 5S 0.00000 0.00000 0.00000 0.00000 0.00000 120 6S 0.00000 0.00000 0.00000 0.00000 -0.00001 121 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 122 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 128 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 129 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 10PX 0.00000 0.00000 0.00000 0.00000 -0.00001 131 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 132 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 140 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 141 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 0.00000 -0.00010 147 3S 0.00000 0.00000 0.00000 0.00000 0.00018 148 4S 0.00000 0.00000 0.00000 0.00000 0.00071 149 5S -0.00004 -0.00010 -0.00007 0.00000 0.00085 150 6S 0.00053 0.00022 0.00010 0.00000 -0.02318 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00002 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00001 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 0.00000 -0.00167 155 8PY 0.00000 0.00000 0.00000 0.00000 -0.00117 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX -0.00055 -0.00038 -0.00049 0.00000 0.02845 158 9PY -0.00032 -0.00047 -0.00010 0.00000 0.02076 159 9PZ 0.00000 0.00000 0.00000 -0.00005 0.00000 160 10PX -0.00614 -0.00123 -0.00221 0.00000 0.05071 161 10PY -0.00361 -0.00211 -0.00020 0.00000 0.03787 162 10PZ 0.00000 0.00000 0.00000 -0.00063 0.00000 163 11XX 0.00000 0.00000 0.00000 0.00000 -0.00048 164 11YY 0.00000 0.00000 0.00000 0.00000 -0.00035 165 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00012 166 11XY 0.00000 0.00000 0.00000 0.00000 -0.00017 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX -0.00034 -0.00015 -0.00026 0.00000 0.00556 170 12YY -0.00013 -0.00020 -0.00001 0.00000 0.00317 171 12ZZ 0.00000 -0.00001 0.00000 0.00000 -0.00027 172 12XY -0.00043 -0.00020 -0.00006 0.00000 0.00434 173 12XZ 0.00000 0.00000 0.00000 -0.00004 0.00000 174 12YZ 0.00000 0.00000 0.00000 -0.00002 0.00000 26 27 28 29 30 26 3PX 0.19531 27 3PY 0.00000 0.24759 28 3PZ 0.00000 0.00000 0.13325 29 4S 0.00000 0.00000 0.00000 0.03777 30 4PX 0.01153 0.00000 0.00000 0.00000 0.04391 31 4PY 0.00000 -0.00280 0.00000 0.00000 0.00000 32 4PZ 0.00000 0.00000 0.00912 0.00000 0.00000 33 5XX 0.00000 0.00000 0.00000 -0.00320 0.00000 34 5YY 0.00000 0.00000 0.00000 0.00459 0.00000 35 5ZZ 0.00000 0.00000 0.00000 0.00029 0.00000 36 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 37 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 38 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 39 3 Cl 1S 0.00001 0.00000 0.00001 -0.00003 -0.00002 40 2S -0.00029 -0.00004 -0.00050 0.00092 0.00079 41 2PX -0.00025 -0.00010 -0.00061 0.00018 -0.00002 42 2PY -0.00010 -0.00003 -0.00010 0.00003 0.00001 43 2PZ -0.00060 -0.00009 -0.00032 0.00003 0.00005 44 3S 0.00309 0.00042 0.00470 -0.00413 -0.00451 45 3PX 0.00678 0.00316 0.02041 -0.00028 0.00069 46 3PY 0.00322 0.00127 0.00323 -0.00009 0.00027 47 3PZ 0.01994 0.00309 0.00933 -0.00133 -0.00107 48 4S -0.00296 -0.00060 0.00044 -0.00471 -0.00638 49 4PX 0.00261 0.00267 0.01715 -0.00236 0.00260 50 4PY 0.00277 0.00176 0.00268 -0.00035 0.00006 51 4PZ 0.01663 0.00253 0.00541 -0.00192 -0.00203 52 5XX -0.00035 0.00006 0.00025 0.00005 0.00005 53 5YY -0.00018 -0.00007 -0.00017 0.00010 0.00016 54 5ZZ 0.00138 0.00021 0.00024 -0.00018 -0.00012 55 5XY 0.00002 0.00005 0.00006 0.00000 0.00000 56 5XZ 0.00023 0.00013 0.00043 0.00001 0.00000 57 5YZ 0.00013 0.00007 0.00007 0.00000 0.00000 58 4 Cl 1S 0.00001 0.00000 0.00001 -0.00003 -0.00002 59 2S -0.00029 -0.00004 -0.00050 0.00092 0.00079 60 2PX -0.00025 -0.00010 -0.00061 0.00018 -0.00002 61 2PY -0.00010 -0.00003 -0.00010 0.00003 0.00001 62 2PZ -0.00060 -0.00009 -0.00032 0.00003 0.00005 63 3S 0.00309 0.00042 0.00470 -0.00413 -0.00451 64 3PX 0.00678 0.00316 0.02042 -0.00028 0.00069 65 3PY 0.00322 0.00127 0.00323 -0.00009 0.00027 66 3PZ 0.01994 0.00309 0.00934 -0.00134 -0.00107 67 4S -0.00296 -0.00060 0.00044 -0.00471 -0.00638 68 4PX 0.00261 0.00267 0.01715 -0.00236 0.00260 69 4PY 0.00277 0.00176 0.00268 -0.00035 0.00006 70 4PZ 0.01663 0.00253 0.00541 -0.00192 -0.00203 71 5XX -0.00035 0.00006 0.00025 0.00005 0.00005 72 5YY -0.00018 -0.00007 -0.00017 0.00010 0.00016 73 5ZZ 0.00138 0.00021 0.00024 -0.00018 -0.00012 74 5XY 0.00002 0.00005 0.00006 0.00000 0.00000 75 5XZ 0.00023 0.00013 0.00043 0.00001 0.00000 76 5YZ 0.00013 0.00007 0.00007 0.00000 0.00000 77 5 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2S 0.00000 0.00000 0.00000 -0.00002 -0.00001 79 2PX 0.00000 0.00000 0.00000 0.00001 0.00001 80 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 81 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 3S 0.00000 0.00000 0.00000 0.00009 0.00007 83 3PX -0.00001 -0.00001 0.00000 -0.00052 -0.00059 84 3PY 0.00000 0.00000 0.00000 0.00017 0.00001 85 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 86 4S 0.00006 -0.00002 0.00000 -0.00004 0.00006 87 4PX -0.00007 -0.00010 0.00000 -0.00132 -0.00109 88 4PY 0.00006 -0.00003 0.00000 0.00032 0.00003 89 4PZ 0.00000 0.00000 0.00003 0.00000 0.00000 90 5XX 0.00000 0.00000 0.00000 -0.00001 -0.00001 91 5YY 0.00000 0.00000 0.00000 0.00002 0.00001 92 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 5XY 0.00000 0.00000 0.00000 -0.00001 -0.00001 94 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 6 Cl 1S 0.00000 0.00006 0.00000 -0.00006 0.00000 97 2S -0.00002 -0.00212 0.00000 0.00189 -0.00007 98 2PX -0.00026 -0.00006 0.00000 -0.00002 -0.00040 99 2PY -0.00004 -0.00354 0.00000 0.00009 0.00000 100 2PZ 0.00000 0.00000 -0.00033 0.00000 0.00000 101 3S 0.00015 0.01900 0.00000 -0.00755 0.00009 102 3PX 0.00969 0.00180 0.00000 0.00101 0.01911 103 3PY 0.00113 0.09572 0.00000 -0.00157 0.00019 104 3PZ 0.00000 0.00000 0.01224 0.00000 0.00000 105 4S -0.00003 -0.01613 0.00000 -0.00369 -0.00004 106 4PX 0.01285 0.00130 0.00000 0.00156 0.02927 107 4PY 0.00088 0.05016 0.00000 -0.00155 0.00022 108 4PZ 0.00000 0.00000 0.01797 0.00000 0.00000 109 5XX -0.00002 -0.00111 0.00000 0.00014 -0.00003 110 5YY 0.00009 0.00561 0.00000 -0.00042 0.00005 111 5ZZ -0.00002 -0.00116 0.00000 0.00007 0.00000 112 5XY 0.00047 0.00012 0.00000 0.00001 0.00019 113 5XZ 0.00000 0.00000 0.00001 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00049 0.00000 0.00000 115 7 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00000 0.00000 0.00000 0.00000 -0.00004 117 3S 0.00000 0.00000 0.00000 0.00001 0.00007 118 4S 0.00000 0.00000 0.00000 0.00002 0.00021 119 5S 0.00000 0.00000 0.00000 0.00009 0.00014 120 6S 0.00007 0.00000 0.00000 -0.00015 0.00017 121 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 122 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00000 0.00000 0.00000 0.00000 0.00001 125 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX -0.00001 0.00000 0.00000 -0.00027 -0.00064 128 9PY 0.00000 0.00000 0.00000 0.00003 0.00003 129 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 10PX -0.00015 0.00000 0.00000 -0.00126 -0.00208 131 10PY 0.00001 0.00001 0.00000 0.00010 0.00011 132 10PZ 0.00000 0.00000 0.00003 0.00000 0.00000 133 11XX 0.00000 0.00000 0.00000 0.00000 -0.00007 134 11YY 0.00000 0.00000 0.00000 -0.00003 -0.00012 135 11ZZ 0.00000 0.00000 0.00000 0.00000 -0.00007 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX -0.00001 0.00000 0.00000 -0.00005 -0.00030 140 12YY 0.00000 0.00000 0.00000 0.00004 -0.00009 141 12ZZ 0.00000 0.00000 0.00000 0.00000 -0.00012 142 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S -0.00001 0.00000 0.00000 -0.00007 -0.00005 146 2S 0.00024 0.00013 0.00000 0.00230 0.00151 147 3S -0.00073 -0.00042 0.00000 -0.00410 -0.00281 148 4S -0.00227 -0.00131 0.00000 -0.01124 -0.00763 149 5S 0.01016 0.00657 0.00000 -0.00199 0.00244 150 6S -0.02103 -0.01382 0.00000 -0.01174 -0.01116 151 7PX 0.00002 0.00004 0.00000 -0.00001 0.00000 152 7PY 0.00003 0.00001 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00001 0.00000 0.00000 154 8PX -0.00135 -0.00218 0.00000 -0.00015 0.00009 155 8PY -0.00200 -0.00030 0.00000 0.00029 -0.00040 156 8PZ 0.00000 0.00000 -0.00045 0.00000 0.00000 157 9PX 0.01794 0.03195 0.00000 0.00564 -0.00074 158 9PY 0.02931 0.00347 0.00000 -0.00490 0.00733 159 9PZ 0.00000 0.00000 0.00816 0.00000 0.00000 160 10PX 0.01350 0.04003 0.00000 0.01162 0.00305 161 10PY 0.03635 0.00059 0.00000 -0.01216 0.01320 162 10PZ 0.00000 0.00000 0.02016 0.00000 0.00000 163 11XX 0.00051 0.00002 0.00000 0.00386 0.00345 164 11YY 0.00049 0.00044 0.00000 0.00502 0.00220 165 11ZZ 0.00083 0.00048 0.00000 0.00431 0.00284 166 11XY -0.00012 -0.00005 0.00000 -0.00001 0.00000 167 11XZ 0.00000 0.00000 -0.00002 0.00000 0.00000 168 11YZ 0.00000 0.00000 -0.00002 0.00000 0.00000 169 12XX 0.00376 0.00663 0.00000 0.00751 0.00239 170 12YY 0.00609 0.00087 0.00000 0.00515 0.00638 171 12ZZ 0.00180 0.00115 0.00000 0.00562 0.00408 172 12XY 0.00179 0.00053 0.00000 -0.00009 0.00001 173 12XZ 0.00000 0.00000 0.00093 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00055 0.00000 0.00000 31 32 33 34 35 31 4PY 0.02400 32 4PZ 0.00000 0.02010 33 5XX 0.00000 0.00000 0.01413 34 5YY 0.00000 0.00000 -0.00410 0.01904 35 5ZZ 0.00000 0.00000 0.00091 -0.00234 0.01159 36 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 37 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 38 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 39 3 Cl 1S 0.00000 -0.00002 0.00000 0.00000 0.00000 40 2S 0.00013 0.00074 -0.00001 0.00001 -0.00010 41 2PX 0.00002 0.00008 0.00001 0.00001 -0.00011 42 2PY -0.00009 0.00001 -0.00002 -0.00001 -0.00002 43 2PZ 0.00001 0.00000 -0.00009 0.00001 0.00000 44 3S -0.00066 -0.00392 0.00017 -0.00030 0.00181 45 3PX 0.00015 -0.00136 -0.00063 -0.00087 0.00467 46 3PY 0.00398 -0.00020 0.00082 0.00031 0.00076 47 3PZ -0.00029 0.00023 0.00386 -0.00085 -0.00060 48 4S -0.00109 -0.00610 0.00027 -0.00077 0.00179 49 4PX -0.00013 -0.00252 -0.00065 -0.00233 0.00543 50 4PY 0.00640 -0.00041 0.00121 -0.00028 0.00088 51 4PZ -0.00042 0.00167 0.00464 -0.00210 -0.00056 52 5XX 0.00002 0.00019 -0.00002 0.00001 -0.00002 53 5YY 0.00002 0.00015 -0.00004 0.00001 0.00000 54 5ZZ -0.00003 -0.00028 0.00022 -0.00004 -0.00003 55 5XY 0.00000 0.00000 0.00000 0.00000 -0.00001 56 5XZ 0.00000 0.00000 -0.00005 -0.00003 0.00010 57 5YZ 0.00004 0.00000 0.00001 0.00001 0.00002 58 4 Cl 1S 0.00000 -0.00002 0.00000 0.00000 0.00000 59 2S 0.00013 0.00074 -0.00001 0.00001 -0.00010 60 2PX 0.00002 0.00008 0.00001 0.00001 -0.00011 61 2PY -0.00009 0.00001 -0.00002 -0.00001 -0.00002 62 2PZ 0.00001 0.00000 -0.00009 0.00001 0.00001 63 3S -0.00066 -0.00392 0.00017 -0.00030 0.00181 64 3PX 0.00015 -0.00136 -0.00063 -0.00087 0.00467 65 3PY 0.00398 -0.00020 0.00082 0.00031 0.00076 66 3PZ -0.00029 0.00023 0.00386 -0.00085 -0.00060 67 4S -0.00109 -0.00610 0.00027 -0.00077 0.00179 68 4PX -0.00013 -0.00252 -0.00066 -0.00233 0.00543 69 4PY 0.00640 -0.00041 0.00121 -0.00028 0.00088 70 4PZ -0.00042 0.00167 0.00464 -0.00210 -0.00056 71 5XX 0.00002 0.00019 -0.00002 0.00001 -0.00002 72 5YY 0.00002 0.00015 -0.00004 0.00001 0.00000 73 5ZZ -0.00003 -0.00028 0.00022 -0.00004 -0.00003 74 5XY 0.00000 0.00000 0.00000 0.00000 -0.00001 75 5XZ 0.00000 0.00000 -0.00005 -0.00003 0.00010 76 5YZ 0.00004 0.00000 0.00001 0.00001 0.00002 77 5 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2S -0.00005 0.00000 0.00000 0.00000 0.00000 79 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 80 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 81 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 3S 0.00018 0.00000 0.00000 0.00000 0.00000 83 3PX -0.00019 0.00000 0.00000 0.00000 0.00000 84 3PY 0.00006 0.00000 0.00000 0.00000 0.00000 85 3PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 86 4S -0.00018 0.00000 0.00001 -0.00001 0.00000 87 4PX -0.00042 0.00000 -0.00001 -0.00001 0.00000 88 4PY -0.00008 0.00000 -0.00001 -0.00002 0.00001 89 4PZ 0.00000 -0.00005 0.00000 0.00000 0.00000 90 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 91 5YY 0.00001 0.00000 0.00000 0.00000 0.00000 92 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 94 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 6 Cl 1S -0.00007 0.00000 0.00000 0.00002 0.00000 97 2S 0.00209 0.00000 0.00001 -0.00087 0.00000 98 2PX 0.00000 0.00000 0.00000 -0.00004 0.00000 99 2PY 0.00011 0.00000 0.00002 -0.00115 0.00001 100 2PZ 0.00000 -0.00024 0.00000 0.00000 0.00000 101 3S -0.00769 0.00000 -0.00065 0.00942 -0.00046 102 3PX 0.00009 0.00000 0.00012 0.00113 -0.00004 103 3PY -0.00293 0.00000 -0.00357 0.02500 -0.00249 104 3PZ 0.00000 0.01030 0.00000 0.00000 0.00000 105 4S -0.00821 0.00000 -0.00033 0.00339 0.00000 106 4PX 0.00022 0.00000 -0.00002 0.00081 -0.00013 107 4PY -0.00179 0.00000 -0.00781 0.01359 -0.00557 108 4PZ 0.00000 0.01591 0.00000 0.00000 0.00000 109 5XX 0.00034 0.00000 0.00003 -0.00024 0.00001 110 5YY -0.00039 0.00000 -0.00011 0.00116 -0.00010 111 5ZZ 0.00024 0.00000 0.00001 -0.00023 0.00003 112 5XY 0.00000 0.00000 0.00001 0.00006 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00011 0.00000 0.00000 0.00000 115 7 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00000 0.00000 0.00000 0.00000 0.00000 117 3S 0.00001 0.00000 0.00000 0.00000 0.00000 118 4S 0.00002 0.00000 0.00000 0.00000 0.00000 119 5S 0.00000 0.00000 0.00000 0.00000 0.00000 120 6S 0.00000 0.00000 0.00000 0.00000 0.00000 121 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 122 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX 0.00002 0.00000 0.00000 0.00000 0.00000 128 9PY 0.00009 0.00000 0.00000 0.00000 0.00000 129 9PZ 0.00000 -0.00001 0.00000 0.00000 0.00000 130 10PX 0.00007 0.00000 -0.00007 0.00000 0.00001 131 10PY 0.00035 0.00000 0.00000 0.00000 0.00000 132 10PZ 0.00000 -0.00005 0.00000 0.00000 0.00000 133 11XX -0.00001 0.00000 0.00000 0.00000 0.00000 134 11YY -0.00001 0.00000 0.00000 0.00000 0.00000 135 11ZZ -0.00001 0.00000 0.00000 0.00000 0.00000 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX -0.00002 0.00000 0.00000 0.00000 0.00000 140 12YY -0.00001 0.00000 0.00000 0.00000 0.00000 141 12ZZ -0.00001 0.00000 0.00000 0.00000 0.00000 142 12XY 0.00001 0.00000 0.00000 0.00000 0.00000 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S -0.00006 0.00000 0.00000 0.00000 0.00000 146 2S 0.00193 0.00000 0.00003 0.00000 0.00000 147 3S -0.00351 0.00000 -0.00009 -0.00001 0.00000 148 4S -0.00954 0.00000 -0.00033 -0.00003 0.00001 149 5S 0.00099 0.00000 0.00132 0.00010 -0.00025 150 6S -0.00927 0.00000 0.00142 0.00019 0.00040 151 7PX -0.00001 0.00000 0.00000 0.00001 0.00000 152 7PY 0.00000 0.00000 0.00001 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX -0.00023 0.00000 0.00010 -0.00023 0.00001 155 8PY -0.00016 0.00000 -0.00047 0.00014 0.00000 156 8PZ 0.00000 -0.00061 0.00000 0.00000 0.00000 157 9PX 0.00518 0.00000 -0.00216 0.00387 -0.00094 158 9PY 0.00343 0.00000 0.00777 -0.00224 -0.00049 159 9PZ 0.00000 0.01072 0.00000 0.00000 0.00000 160 10PX 0.00926 0.00000 -0.00372 0.00818 -0.00450 161 10PY 0.01225 0.00000 0.01278 -0.00499 -0.00212 162 10PZ 0.00000 0.02612 0.00000 0.00000 0.00000 163 11XX 0.00326 0.00000 0.00013 0.00001 0.00000 164 11YY 0.00395 0.00000 0.00008 0.00002 0.00000 165 11ZZ 0.00353 0.00000 0.00006 0.00000 -0.00001 166 11XY 0.00000 0.00000 0.00001 0.00002 0.00000 167 11XZ 0.00000 -0.00001 0.00000 0.00000 0.00000 168 11YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 169 12XX 0.00659 0.00000 -0.00006 0.00057 -0.00027 170 12YY 0.00275 0.00000 0.00084 -0.00012 -0.00016 171 12ZZ 0.00455 0.00000 0.00007 0.00001 -0.00004 172 12XY 0.00006 0.00000 0.00029 -0.00012 -0.00020 173 12XZ 0.00000 0.00034 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00024 0.00000 0.00000 0.00000 36 37 38 39 40 36 5XY 0.01847 37 5XZ 0.00000 0.01513 38 5YZ 0.00000 0.00000 0.01162 39 3 Cl 1S 0.00000 0.00000 0.00000 2.16061 40 2S -0.00003 -0.00020 -0.00003 -0.16506 2.38929 41 2PX -0.00004 -0.00015 -0.00005 0.00000 0.00000 42 2PY 0.00000 -0.00005 0.00000 0.00000 0.00000 43 2PZ -0.00006 -0.00020 -0.00003 0.00000 0.00000 44 3S 0.00035 0.00278 0.00045 0.00052 -0.14800 45 3PX 0.00111 0.00472 0.00191 0.00000 0.00000 46 3PY 0.00045 0.00189 0.00050 0.00000 0.00000 47 3PZ 0.00208 0.00641 0.00103 0.00000 0.00000 48 4S 0.00027 0.00197 0.00032 0.00250 -0.07796 49 4PX 0.00045 0.00158 0.00132 0.00000 0.00000 50 4PY 0.00084 0.00130 0.00119 0.00000 0.00000 51 4PZ 0.00130 0.00277 0.00045 0.00000 0.00000 52 5XX -0.00003 -0.00004 0.00001 0.00006 -0.00476 53 5YY -0.00001 -0.00007 -0.00001 0.00006 -0.00357 54 5ZZ 0.00013 0.00017 0.00003 0.00006 -0.00448 55 5XY 0.00000 0.00003 0.00000 0.00000 0.00000 56 5XZ 0.00003 0.00019 0.00006 0.00000 0.00000 57 5YZ 0.00001 0.00006 0.00001 0.00000 0.00000 58 4 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 59 2S -0.00003 -0.00020 -0.00003 0.00000 0.00000 60 2PX -0.00004 -0.00015 -0.00005 0.00000 0.00000 61 2PY 0.00000 -0.00005 0.00000 0.00000 0.00000 62 2PZ -0.00006 -0.00020 -0.00003 0.00000 0.00000 63 3S 0.00035 0.00278 0.00045 0.00000 0.00000 64 3PX 0.00111 0.00472 0.00191 0.00000 0.00000 65 3PY 0.00045 0.00189 0.00050 0.00000 0.00000 66 3PZ 0.00208 0.00641 0.00103 0.00000 0.00000 67 4S 0.00027 0.00197 0.00032 0.00000 -0.00002 68 4PX 0.00045 0.00158 0.00132 0.00000 0.00000 69 4PY 0.00084 0.00130 0.00119 0.00000 0.00000 70 4PZ 0.00130 0.00277 0.00045 0.00000 0.00005 71 5XX -0.00003 -0.00004 0.00001 0.00000 0.00000 72 5YY -0.00001 -0.00007 -0.00001 0.00000 0.00000 73 5ZZ 0.00013 0.00017 0.00003 0.00000 0.00000 74 5XY 0.00000 0.00003 0.00000 0.00000 0.00000 75 5XZ 0.00003 0.00019 0.00006 0.00000 0.00000 76 5YZ 0.00001 0.00006 0.00001 0.00000 0.00000 77 5 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2S 0.00000 0.00000 0.00000 0.00000 0.00000 79 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 80 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 81 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 3S 0.00000 0.00000 0.00000 0.00000 0.00000 83 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 84 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 85 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 86 4S 0.00000 0.00000 0.00000 0.00000 0.00000 87 4PX -0.00002 0.00000 0.00000 0.00000 0.00000 88 4PY -0.00001 0.00000 0.00000 0.00000 0.00000 89 4PZ 0.00000 0.00000 0.00000 0.00000 0.00001 90 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 91 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 92 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 94 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2S -0.00003 0.00000 0.00000 0.00000 0.00000 98 2PX -0.00020 0.00000 0.00000 0.00000 0.00000 99 2PY -0.00007 0.00000 0.00000 0.00000 0.00000 100 2PZ 0.00000 0.00000 -0.00022 0.00000 0.00000 101 3S 0.00030 0.00000 0.00000 0.00000 0.00000 102 3PX 0.00874 0.00000 0.00000 0.00000 0.00000 103 3PY 0.00160 0.00000 0.00000 0.00000 0.00000 104 3PZ 0.00000 0.00014 0.00931 0.00000 0.00000 105 4S 0.00010 0.00000 0.00000 0.00000 0.00000 106 4PX 0.00957 0.00000 0.00000 0.00000 0.00000 107 4PY 0.00060 0.00000 0.00000 0.00000 0.00000 108 4PZ 0.00000 0.00012 0.01038 0.00000 0.00001 109 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 110 5YY 0.00008 0.00000 0.00000 0.00000 0.00000 111 5ZZ -0.00001 0.00000 0.00000 0.00000 0.00000 112 5XY 0.00022 0.00000 0.00000 0.00000 0.00000 113 5XZ 0.00000 0.00001 0.00001 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00030 0.00000 0.00000 115 7 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00000 0.00000 0.00000 0.00000 0.00000 117 3S 0.00000 0.00000 0.00000 0.00000 0.00000 118 4S 0.00000 0.00000 0.00000 0.00000 0.00000 119 5S 0.00000 0.00000 0.00000 0.00000 0.00000 120 6S 0.00000 0.00000 0.00000 0.00000 0.00000 121 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 122 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 128 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 129 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 10PX 0.00000 0.00000 0.00000 0.00000 0.00001 131 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 132 10PZ 0.00000 0.00000 0.00000 0.00000 0.00001 133 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 140 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 141 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00004 0.00000 0.00000 0.00000 0.00000 147 3S -0.00018 0.00000 0.00000 0.00000 0.00000 148 4S -0.00072 0.00000 0.00000 0.00000 0.00000 149 5S 0.00342 0.00000 0.00000 0.00000 0.00000 150 6S 0.00114 0.00000 0.00000 0.00000 0.00000 151 7PX 0.00001 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00001 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX -0.00078 0.00000 0.00000 0.00000 0.00000 155 8PY -0.00031 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 -0.00015 -0.00009 0.00000 0.00000 157 9PX 0.01042 0.00000 0.00000 0.00000 0.00000 158 9PY 0.00370 0.00000 0.00000 0.00000 0.00000 159 9PZ 0.00000 0.00355 0.00199 0.00000 0.00000 160 10PX 0.00571 0.00000 0.00000 0.00000 0.00001 161 10PY 0.00120 0.00000 0.00000 0.00000 0.00000 162 10PZ 0.00000 0.00674 0.00401 0.00000 0.00001 163 11XX 0.00015 0.00000 0.00000 0.00000 0.00000 164 11YY 0.00017 0.00000 0.00000 0.00000 0.00000 165 11ZZ 0.00014 0.00000 0.00000 0.00000 0.00000 166 11XY -0.00003 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 -0.00001 -0.00001 0.00000 0.00000 168 11YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 169 12XX 0.00099 0.00000 0.00000 0.00000 0.00000 170 12YY 0.00023 0.00000 0.00000 0.00000 0.00000 171 12ZZ 0.00011 0.00000 0.00000 0.00000 0.00000 172 12XY 0.00045 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00024 0.00032 0.00000 0.00000 174 12YZ 0.00000 0.00024 0.00007 0.00000 0.00000 41 42 43 44 45 41 2PX 2.10576 42 2PY 0.00000 2.12181 43 2PZ 0.00000 0.00000 2.10827 44 3S 0.00000 0.00000 0.00000 1.20754 45 3PX -0.09933 0.00000 0.00000 0.00000 0.93677 46 3PY 0.00000 -0.11321 0.00000 0.00000 0.00000 47 3PZ 0.00000 0.00000 -0.10143 0.00000 0.00000 48 4S 0.00000 0.00000 0.00000 0.42962 0.00000 49 4PX -0.01343 0.00000 0.00000 0.00000 0.25541 50 4PY 0.00000 -0.01607 0.00000 0.00000 0.00000 51 4PZ 0.00000 0.00000 -0.01307 0.00000 0.00000 52 5XX 0.00000 0.00000 0.00000 -0.00358 0.00000 53 5YY 0.00000 0.00000 0.00000 -0.01434 0.00000 54 5ZZ 0.00000 0.00000 0.00000 -0.00734 0.00000 55 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 56 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 57 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 59 2S 0.00000 0.00000 0.00000 0.00000 0.00000 60 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 61 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 62 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 63 3S 0.00000 0.00000 0.00000 0.00000 0.00000 64 3PX 0.00000 0.00000 0.00000 0.00000 -0.00001 65 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 66 3PZ 0.00000 0.00000 0.00000 -0.00005 0.00000 67 4S 0.00000 0.00000 0.00002 0.00021 0.00000 68 4PX 0.00000 0.00000 0.00000 0.00000 -0.00017 69 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 70 4PZ 0.00000 0.00000 0.00016 -0.00095 0.00000 71 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 72 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 73 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 74 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 75 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 5 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2S 0.00000 0.00000 0.00000 0.00000 0.00000 79 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 80 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 81 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 3S 0.00000 0.00000 0.00000 0.00000 0.00000 83 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 84 3PY 0.00000 0.00000 0.00000 -0.00001 -0.00001 85 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 86 4S 0.00000 0.00000 0.00000 0.00005 0.00004 87 4PX 0.00000 0.00001 0.00000 -0.00008 -0.00004 88 4PY 0.00000 0.00001 0.00000 -0.00016 -0.00031 89 4PZ 0.00000 0.00001 0.00000 -0.00017 -0.00024 90 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 91 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 92 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 94 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 99 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 100 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 3S 0.00000 0.00000 0.00000 0.00000 0.00000 102 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 103 3PY 0.00000 0.00000 0.00000 -0.00001 -0.00001 104 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 105 4S 0.00000 0.00000 0.00000 0.00005 0.00004 106 4PX 0.00000 0.00001 0.00000 -0.00008 -0.00004 107 4PY 0.00000 0.00001 0.00000 -0.00016 -0.00031 108 4PZ 0.00000 0.00001 0.00000 -0.00017 -0.00024 109 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 110 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 111 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 7 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00000 0.00000 0.00000 0.00000 0.00000 117 3S 0.00000 0.00000 0.00000 0.00000 0.00000 118 4S 0.00000 0.00000 0.00000 0.00000 0.00000 119 5S 0.00000 0.00000 0.00000 0.00000 0.00000 120 6S 0.00000 0.00000 0.00000 0.00003 -0.00014 121 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 122 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX 0.00000 0.00000 0.00000 0.00000 -0.00002 128 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 129 9PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 130 10PX 0.00002 0.00000 0.00001 -0.00029 -0.00138 131 10PY 0.00000 0.00000 0.00000 -0.00002 -0.00008 132 10PZ 0.00001 0.00000 0.00000 -0.00016 -0.00057 133 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00000 0.00000 0.00000 0.00000 0.00001 140 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 141 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00001 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3S 0.00000 0.00000 0.00000 0.00000 0.00000 148 4S 0.00000 0.00000 0.00000 0.00000 0.00000 149 5S 0.00000 0.00000 0.00000 0.00000 0.00000 150 6S 0.00000 0.00000 0.00000 0.00003 -0.00014 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00000 0.00000 0.00000 0.00000 -0.00002 158 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 159 9PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 160 10PX 0.00002 0.00000 0.00001 -0.00029 -0.00138 161 10PY 0.00000 0.00000 0.00000 -0.00002 -0.00008 162 10PZ 0.00001 0.00000 0.00000 -0.00016 -0.00057 163 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 164 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 165 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 0.00000 0.00000 0.00001 170 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00001 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 46 47 48 49 50 46 3PY 1.04423 47 3PZ 0.00000 0.94795 48 4S 0.00000 0.00000 0.24976 49 4PX 0.00000 0.00000 0.00000 0.18563 50 4PY 0.32707 0.00000 0.00000 0.00000 0.26718 51 4PZ 0.00000 0.26112 0.00000 0.00000 0.00000 52 5XX 0.00000 0.00000 -0.00047 0.00000 0.00000 53 5YY 0.00000 0.00000 -0.00412 0.00000 0.00000 54 5ZZ 0.00000 0.00000 -0.00237 0.00000 0.00000 55 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 56 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 57 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 59 2S 0.00000 0.00000 -0.00002 0.00000 0.00000 60 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 61 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 62 2PZ 0.00000 0.00000 0.00002 0.00000 0.00000 63 3S 0.00000 -0.00005 0.00021 0.00000 0.00000 64 3PX 0.00000 0.00000 0.00000 -0.00017 0.00000 65 3PY -0.00001 0.00000 0.00000 0.00000 -0.00037 66 3PZ 0.00000 -0.00050 -0.00146 0.00000 0.00000 67 4S 0.00000 -0.00146 0.00120 0.00000 0.00000 68 4PX 0.00000 0.00000 0.00000 -0.00047 0.00000 69 4PY -0.00037 0.00000 0.00000 0.00000 -0.00193 70 4PZ 0.00000 -0.00808 -0.00358 0.00000 0.00000 71 5XX 0.00000 0.00000 0.00001 0.00000 0.00000 72 5YY 0.00000 0.00000 0.00001 0.00000 0.00000 73 5ZZ 0.00000 0.00001 -0.00008 0.00000 0.00000 74 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 75 5XZ 0.00000 0.00000 0.00000 0.00001 0.00000 76 5YZ 0.00000 0.00000 0.00000 0.00000 0.00001 77 5 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2S 0.00000 0.00000 0.00000 0.00000 0.00001 79 2PX 0.00000 0.00000 0.00000 0.00000 0.00001 80 2PY 0.00000 0.00000 0.00000 0.00001 0.00001 81 2PZ 0.00000 0.00000 0.00000 0.00001 0.00001 82 3S 0.00000 0.00000 0.00003 -0.00001 -0.00024 83 3PX -0.00001 -0.00001 -0.00027 -0.00011 -0.00066 84 3PY -0.00002 -0.00001 -0.00003 -0.00036 -0.00069 85 3PZ -0.00001 0.00000 -0.00025 -0.00035 -0.00037 86 4S -0.00030 0.00004 0.00007 0.00025 -0.00111 87 4PX -0.00055 -0.00021 -0.00109 -0.00019 -0.00238 88 4PY -0.00071 -0.00020 -0.00004 -0.00083 -0.00197 89 4PZ -0.00041 -0.00004 -0.00112 -0.00123 -0.00118 90 5XX 0.00000 0.00000 0.00000 0.00000 0.00001 91 5YY 0.00000 0.00000 0.00000 0.00000 -0.00001 92 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 93 5XY 0.00000 0.00000 -0.00001 0.00000 0.00000 94 5XZ 0.00000 0.00000 0.00000 0.00000 0.00001 95 5YZ 0.00000 0.00000 -0.00001 0.00000 0.00001 96 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2S 0.00000 0.00000 0.00000 0.00000 0.00001 98 2PX 0.00000 0.00000 0.00000 0.00000 0.00001 99 2PY 0.00000 0.00000 0.00000 0.00001 0.00001 100 2PZ 0.00000 0.00000 0.00000 0.00001 0.00001 101 3S 0.00000 0.00000 0.00003 -0.00001 -0.00024 102 3PX -0.00001 -0.00001 -0.00027 -0.00011 -0.00066 103 3PY -0.00002 -0.00001 -0.00003 -0.00036 -0.00069 104 3PZ -0.00001 0.00000 -0.00025 -0.00035 -0.00037 105 4S -0.00030 0.00004 0.00007 0.00025 -0.00111 106 4PX -0.00055 -0.00021 -0.00109 -0.00019 -0.00238 107 4PY -0.00071 -0.00020 -0.00004 -0.00083 -0.00197 108 4PZ -0.00040 -0.00004 -0.00112 -0.00123 -0.00118 109 5XX 0.00000 0.00000 0.00000 0.00000 0.00001 110 5YY 0.00000 0.00000 0.00000 0.00000 -0.00001 111 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00001 112 5XY 0.00000 0.00000 -0.00001 0.00000 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00001 114 5YZ 0.00000 0.00000 -0.00001 0.00000 0.00001 115 7 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00000 0.00000 0.00000 -0.00001 0.00000 117 3S 0.00000 0.00000 0.00000 0.00002 0.00000 118 4S 0.00000 0.00000 0.00001 0.00006 0.00001 119 5S 0.00000 0.00000 0.00002 -0.00010 0.00000 120 6S -0.00007 0.00006 0.00005 -0.00045 -0.00037 121 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 122 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00000 0.00000 0.00001 0.00004 0.00000 125 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00002 0.00000 127 9PX 0.00000 -0.00001 -0.00024 -0.00118 -0.00008 128 9PY 0.00000 0.00000 0.00005 0.00001 -0.00001 129 9PZ 0.00000 0.00000 -0.00017 -0.00047 0.00003 130 10PX -0.00018 -0.00039 -0.00168 -0.00564 -0.00069 131 10PY -0.00001 0.00002 0.00040 0.00017 -0.00007 132 10PZ -0.00001 -0.00003 -0.00130 -0.00266 0.00016 133 11XX 0.00000 0.00000 -0.00001 -0.00003 0.00000 134 11YY 0.00000 0.00000 -0.00001 -0.00002 0.00000 135 11ZZ 0.00000 0.00000 -0.00001 -0.00002 0.00000 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00000 0.00000 -0.00011 -0.00017 0.00001 140 12YY 0.00000 0.00000 0.00000 -0.00004 0.00000 141 12ZZ 0.00000 0.00000 -0.00002 -0.00005 0.00001 142 12XY 0.00000 0.00000 0.00000 0.00001 0.00001 143 12XZ 0.00000 0.00000 -0.00003 0.00003 0.00002 144 12YZ 0.00000 0.00000 -0.00001 -0.00001 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 -0.00001 0.00000 147 3S 0.00000 0.00000 0.00000 0.00002 0.00000 148 4S 0.00000 0.00000 0.00001 0.00006 0.00001 149 5S 0.00000 0.00000 0.00002 -0.00010 0.00000 150 6S -0.00007 0.00006 0.00005 -0.00045 -0.00037 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00001 0.00004 0.00000 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00002 0.00000 157 9PX 0.00000 -0.00001 -0.00024 -0.00118 -0.00008 158 9PY 0.00000 0.00000 0.00005 0.00001 -0.00001 159 9PZ 0.00000 0.00000 -0.00017 -0.00047 0.00003 160 10PX -0.00018 -0.00039 -0.00168 -0.00564 -0.00069 161 10PY -0.00001 0.00002 0.00040 0.00016 -0.00007 162 10PZ -0.00001 -0.00003 -0.00130 -0.00266 0.00016 163 11XX 0.00000 0.00000 -0.00001 -0.00003 0.00000 164 11YY 0.00000 0.00000 -0.00001 -0.00002 0.00000 165 11ZZ 0.00000 0.00000 -0.00001 -0.00002 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 -0.00011 -0.00017 0.00001 170 12YY 0.00000 0.00000 0.00000 -0.00004 0.00000 171 12ZZ 0.00000 0.00000 -0.00002 -0.00005 0.00001 172 12XY 0.00000 0.00000 0.00000 0.00001 0.00001 173 12XZ 0.00000 0.00000 -0.00003 0.00003 0.00002 174 12YZ 0.00000 0.00000 -0.00001 -0.00001 0.00000 51 52 53 54 55 51 4PZ 0.18878 52 5XX 0.00000 0.00096 53 5YY 0.00000 0.00022 0.00132 54 5ZZ 0.00000 0.00008 -0.00003 0.00284 55 5XY 0.00000 0.00000 0.00000 0.00000 0.00029 56 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 57 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 4 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 59 2S 0.00005 0.00000 0.00000 0.00000 0.00000 60 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 61 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 62 2PZ 0.00016 0.00000 0.00000 0.00000 0.00000 63 3S -0.00095 0.00000 0.00000 0.00000 0.00000 64 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 65 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 66 3PZ -0.00808 0.00000 0.00000 0.00001 0.00000 67 4S -0.00358 0.00001 0.00001 -0.00008 0.00000 68 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 69 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 70 4PZ -0.01865 -0.00006 0.00000 0.00016 0.00000 71 5XX -0.00006 0.00000 0.00000 0.00000 0.00000 72 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 73 5ZZ 0.00016 0.00000 0.00000 0.00000 0.00000 74 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 75 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 5 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2S 0.00000 0.00000 0.00000 0.00000 0.00000 79 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 80 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 81 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 3S -0.00003 0.00000 0.00000 0.00000 0.00000 83 3PX -0.00029 0.00000 0.00000 0.00000 0.00000 84 3PY -0.00025 0.00000 0.00000 0.00000 0.00000 85 3PZ -0.00007 0.00000 0.00000 0.00000 0.00000 86 4S 0.00016 0.00000 0.00000 0.00000 0.00000 87 4PX -0.00098 0.00000 0.00003 -0.00001 0.00000 88 4PY -0.00048 0.00000 0.00001 -0.00001 0.00001 89 4PZ -0.00010 0.00001 0.00002 -0.00001 0.00002 90 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 91 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 92 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 94 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 99 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 100 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 3S -0.00003 0.00000 0.00000 0.00000 0.00000 102 3PX -0.00029 0.00000 0.00000 0.00000 0.00000 103 3PY -0.00025 0.00000 0.00000 0.00000 0.00000 104 3PZ -0.00007 0.00000 0.00000 0.00000 0.00000 105 4S 0.00016 0.00000 0.00000 0.00000 0.00000 106 4PX -0.00098 0.00000 0.00003 -0.00001 0.00000 107 4PY -0.00048 0.00000 0.00001 -0.00001 0.00001 108 4PZ -0.00010 0.00001 0.00002 -0.00001 0.00002 109 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 110 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 111 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 7 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00000 0.00000 0.00000 0.00000 0.00000 117 3S 0.00000 0.00000 0.00000 0.00000 0.00000 118 4S 0.00000 0.00000 0.00000 0.00000 0.00000 119 5S -0.00003 0.00000 0.00000 0.00000 0.00000 120 6S 0.00025 -0.00001 0.00000 0.00000 0.00000 121 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 122 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00001 0.00000 0.00000 0.00000 0.00000 125 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX -0.00037 0.00000 0.00000 0.00000 0.00000 128 9PY 0.00002 0.00000 0.00000 0.00000 0.00000 129 9PZ -0.00004 0.00000 0.00000 0.00000 0.00000 130 10PX -0.00174 0.00006 -0.00001 -0.00002 0.00001 131 10PY 0.00019 0.00000 0.00000 0.00000 0.00000 132 10PZ -0.00009 0.00005 0.00000 -0.00001 0.00000 133 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX -0.00004 0.00000 0.00000 0.00000 0.00000 140 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 141 12ZZ -0.00001 0.00000 0.00000 0.00000 0.00000 142 12XY 0.00001 0.00000 0.00000 0.00000 0.00000 143 12XZ 0.00001 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3S 0.00000 0.00000 0.00000 0.00000 0.00000 148 4S 0.00000 0.00000 0.00000 0.00000 0.00000 149 5S -0.00003 0.00000 0.00000 0.00000 0.00000 150 6S 0.00025 -0.00001 0.00000 0.00000 0.00000 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00001 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX -0.00037 0.00000 0.00000 0.00000 0.00000 158 9PY 0.00002 0.00000 0.00000 0.00000 0.00000 159 9PZ -0.00004 0.00000 0.00000 0.00000 0.00000 160 10PX -0.00174 0.00006 -0.00001 -0.00002 0.00001 161 10PY 0.00019 0.00000 0.00000 0.00000 0.00000 162 10PZ -0.00009 0.00005 0.00000 -0.00001 0.00000 163 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 164 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 165 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX -0.00004 0.00000 0.00000 0.00000 0.00000 170 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 12ZZ -0.00001 0.00000 0.00000 0.00000 0.00000 172 12XY 0.00001 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00001 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 56 57 58 59 60 56 5XZ 0.00260 57 5YZ 0.00000 0.00127 58 4 Cl 1S 0.00000 0.00000 2.16061 59 2S 0.00000 0.00000 -0.16506 2.38929 60 2PX 0.00000 0.00000 0.00000 0.00000 2.10576 61 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 62 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 63 3S 0.00000 0.00000 0.00052 -0.14800 0.00000 64 3PX 0.00000 0.00000 0.00000 0.00000 -0.09933 65 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 66 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 67 4S 0.00000 0.00000 0.00250 -0.07796 0.00000 68 4PX 0.00001 0.00000 0.00000 0.00000 -0.01343 69 4PY 0.00000 0.00001 0.00000 0.00000 0.00000 70 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 71 5XX 0.00000 0.00000 0.00006 -0.00476 0.00000 72 5YY 0.00000 0.00000 0.00006 -0.00357 0.00000 73 5ZZ 0.00000 0.00000 0.00006 -0.00448 0.00000 74 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 75 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 5 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2S 0.00000 0.00000 0.00000 0.00000 0.00000 79 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 80 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 81 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 3S 0.00000 0.00000 0.00000 0.00000 0.00000 83 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 84 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 85 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 86 4S 0.00000 -0.00001 0.00000 0.00000 0.00000 87 4PX 0.00000 0.00001 0.00000 0.00000 0.00000 88 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 89 4PZ 0.00000 0.00000 0.00000 0.00001 0.00000 90 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 91 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 92 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 94 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 99 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 100 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 3S 0.00000 0.00000 0.00000 0.00000 0.00000 102 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 103 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 104 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4S 0.00000 -0.00001 0.00000 0.00000 0.00000 106 4PX 0.00000 0.00001 0.00000 0.00000 0.00000 107 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 108 4PZ 0.00000 0.00000 0.00000 0.00001 0.00000 109 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 110 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 111 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 7 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00000 0.00000 0.00000 0.00000 0.00000 117 3S 0.00000 0.00000 0.00000 0.00000 0.00000 118 4S 0.00000 0.00000 0.00000 0.00000 0.00000 119 5S 0.00000 0.00000 0.00000 0.00000 0.00000 120 6S 0.00000 0.00000 0.00000 0.00000 0.00000 121 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 122 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 128 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 129 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 10PX 0.00002 0.00000 0.00000 0.00001 0.00002 131 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 132 10PZ 0.00000 0.00000 0.00000 0.00001 0.00001 133 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 140 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 141 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3S 0.00000 0.00000 0.00000 0.00000 0.00000 148 4S 0.00000 0.00000 0.00000 0.00000 0.00000 149 5S 0.00000 0.00000 0.00000 0.00000 0.00000 150 6S 0.00000 0.00000 0.00000 0.00000 0.00000 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 158 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX 0.00002 0.00000 0.00000 0.00001 0.00002 161 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 10PZ 0.00000 0.00000 0.00000 0.00001 0.00001 163 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 164 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 165 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 62 63 64 65 61 2PY 2.12181 62 2PZ 0.00000 2.10827 63 3S 0.00000 0.00000 1.20754 64 3PX 0.00000 0.00000 0.00000 0.93677 65 3PY -0.11321 0.00000 0.00000 0.00000 1.04423 66 3PZ 0.00000 -0.10143 0.00000 0.00000 0.00000 67 4S 0.00000 0.00000 0.42962 0.00000 0.00000 68 4PX 0.00000 0.00000 0.00000 0.25541 0.00000 69 4PY -0.01607 0.00000 0.00000 0.00000 0.32707 70 4PZ 0.00000 -0.01307 0.00000 0.00000 0.00000 71 5XX 0.00000 0.00000 -0.00358 0.00000 0.00000 72 5YY 0.00000 0.00000 -0.01434 0.00000 0.00000 73 5ZZ 0.00000 0.00000 -0.00734 0.00000 0.00000 74 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 75 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 5 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2S 0.00000 0.00000 0.00000 0.00000 0.00000 79 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 80 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 81 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 3S 0.00000 0.00000 0.00000 0.00000 0.00000 83 3PX 0.00000 0.00000 0.00000 0.00000 -0.00001 84 3PY 0.00000 0.00000 -0.00001 -0.00001 -0.00002 85 3PZ 0.00000 0.00000 0.00000 -0.00001 -0.00001 86 4S 0.00000 0.00000 0.00005 0.00004 -0.00030 87 4PX 0.00001 0.00000 -0.00008 -0.00004 -0.00055 88 4PY 0.00001 0.00000 -0.00016 -0.00031 -0.00071 89 4PZ 0.00001 0.00000 -0.00017 -0.00024 -0.00040 90 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 91 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 92 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 94 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 99 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 100 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 3S 0.00000 0.00000 0.00000 0.00000 0.00000 102 3PX 0.00000 0.00000 0.00000 0.00000 -0.00001 103 3PY 0.00000 0.00000 -0.00001 -0.00001 -0.00002 104 3PZ 0.00000 0.00000 0.00000 -0.00001 -0.00001 105 4S 0.00000 0.00000 0.00005 0.00004 -0.00030 106 4PX 0.00001 0.00000 -0.00008 -0.00004 -0.00055 107 4PY 0.00001 0.00000 -0.00016 -0.00031 -0.00071 108 4PZ 0.00001 0.00000 -0.00017 -0.00024 -0.00040 109 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 110 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 111 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 7 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00000 0.00000 0.00000 0.00000 0.00000 117 3S 0.00000 0.00000 0.00000 0.00000 0.00000 118 4S 0.00000 0.00000 0.00000 0.00000 0.00000 119 5S 0.00000 0.00000 0.00000 0.00000 0.00000 120 6S 0.00000 0.00000 0.00003 -0.00014 -0.00007 121 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 122 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX 0.00000 0.00000 0.00000 -0.00002 0.00000 128 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 129 9PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 130 10PX 0.00000 0.00001 -0.00029 -0.00138 -0.00018 131 10PY 0.00000 0.00000 -0.00002 -0.00008 -0.00001 132 10PZ 0.00000 0.00000 -0.00016 -0.00057 -0.00001 133 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00000 0.00000 0.00000 0.00001 0.00000 140 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 141 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 143 12XZ 0.00000 0.00000 0.00000 0.00001 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3S 0.00000 0.00000 0.00000 0.00000 0.00000 148 4S 0.00000 0.00000 0.00000 0.00000 0.00000 149 5S 0.00000 0.00000 0.00000 0.00000 0.00000 150 6S 0.00000 0.00000 0.00003 -0.00014 -0.00007 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00000 0.00000 0.00000 -0.00002 0.00000 158 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 159 9PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 160 10PX 0.00000 0.00001 -0.00029 -0.00138 -0.00018 161 10PY 0.00000 0.00000 -0.00002 -0.00008 -0.00001 162 10PZ 0.00000 0.00000 -0.00016 -0.00057 -0.00001 163 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 164 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 165 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 0.00000 0.00001 0.00000 170 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00001 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 67 68 69 70 66 3PZ 0.94794 67 4S 0.00000 0.24976 68 4PX 0.00000 0.00000 0.18563 69 4PY 0.00000 0.00000 0.00000 0.26718 70 4PZ 0.26113 0.00000 0.00000 0.00000 0.18878 71 5XX 0.00000 -0.00047 0.00000 0.00000 0.00000 72 5YY 0.00000 -0.00412 0.00000 0.00000 0.00000 73 5ZZ 0.00000 -0.00237 0.00000 0.00000 0.00000 74 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 75 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 5 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2S 0.00000 0.00000 0.00000 0.00001 0.00000 79 2PX 0.00000 0.00000 0.00000 0.00001 0.00000 80 2PY 0.00000 0.00000 0.00001 0.00001 0.00000 81 2PZ 0.00000 0.00000 0.00001 0.00001 0.00000 82 3S 0.00000 0.00003 -0.00001 -0.00024 -0.00003 83 3PX -0.00001 -0.00027 -0.00011 -0.00066 -0.00029 84 3PY -0.00001 -0.00003 -0.00036 -0.00069 -0.00025 85 3PZ 0.00000 -0.00025 -0.00035 -0.00037 -0.00007 86 4S 0.00004 0.00007 0.00025 -0.00111 0.00016 87 4PX -0.00021 -0.00109 -0.00019 -0.00238 -0.00098 88 4PY -0.00020 -0.00004 -0.00083 -0.00197 -0.00048 89 4PZ -0.00004 -0.00112 -0.00123 -0.00118 -0.00010 90 5XX 0.00000 0.00000 0.00000 0.00001 0.00000 91 5YY 0.00000 0.00000 0.00000 -0.00001 0.00000 92 5ZZ 0.00000 0.00000 0.00000 0.00001 0.00000 93 5XY 0.00000 -0.00001 0.00000 0.00000 0.00000 94 5XZ 0.00000 0.00000 0.00000 0.00001 0.00000 95 5YZ 0.00000 -0.00001 0.00000 0.00001 0.00000 96 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2S 0.00000 0.00000 0.00000 0.00001 0.00000 98 2PX 0.00000 0.00000 0.00000 0.00001 0.00000 99 2PY 0.00000 0.00000 0.00001 0.00001 0.00000 100 2PZ 0.00000 0.00000 0.00001 0.00001 0.00000 101 3S 0.00000 0.00003 -0.00001 -0.00024 -0.00003 102 3PX -0.00001 -0.00027 -0.00011 -0.00066 -0.00029 103 3PY -0.00001 -0.00003 -0.00036 -0.00069 -0.00025 104 3PZ 0.00000 -0.00025 -0.00035 -0.00037 -0.00007 105 4S 0.00004 0.00007 0.00025 -0.00111 0.00016 106 4PX -0.00021 -0.00109 -0.00019 -0.00238 -0.00098 107 4PY -0.00020 -0.00004 -0.00083 -0.00197 -0.00048 108 4PZ -0.00004 -0.00112 -0.00123 -0.00118 -0.00010 109 5XX 0.00000 0.00000 0.00000 0.00001 0.00000 110 5YY 0.00000 0.00000 0.00000 -0.00001 0.00000 111 5ZZ 0.00000 0.00000 0.00000 0.00001 0.00000 112 5XY 0.00000 -0.00001 0.00000 0.00000 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00001 0.00000 114 5YZ 0.00000 -0.00001 0.00000 0.00001 0.00000 115 7 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 117 3S 0.00000 0.00000 0.00002 0.00000 0.00000 118 4S 0.00000 0.00001 0.00006 0.00001 0.00000 119 5S 0.00000 0.00002 -0.00010 0.00000 -0.00003 120 6S 0.00006 0.00005 -0.00045 -0.00037 0.00025 121 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 122 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00000 0.00001 0.00004 0.00000 0.00001 125 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 8PZ 0.00000 0.00000 0.00002 0.00000 0.00000 127 9PX -0.00001 -0.00024 -0.00118 -0.00008 -0.00037 128 9PY 0.00000 0.00005 0.00001 -0.00001 0.00002 129 9PZ 0.00000 -0.00017 -0.00047 0.00003 -0.00004 130 10PX -0.00039 -0.00168 -0.00564 -0.00069 -0.00174 131 10PY 0.00002 0.00040 0.00017 -0.00007 0.00019 132 10PZ -0.00003 -0.00130 -0.00266 0.00016 -0.00009 133 11XX 0.00000 -0.00001 -0.00003 0.00000 0.00000 134 11YY 0.00000 -0.00001 -0.00002 0.00000 0.00000 135 11ZZ 0.00000 -0.00001 -0.00002 0.00000 0.00000 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00000 -0.00011 -0.00017 0.00001 -0.00004 140 12YY 0.00000 0.00000 -0.00004 0.00000 0.00000 141 12ZZ 0.00000 -0.00002 -0.00005 0.00001 -0.00001 142 12XY 0.00000 0.00000 0.00001 0.00001 0.00001 143 12XZ 0.00000 -0.00003 0.00003 0.00002 0.00001 144 12YZ 0.00000 -0.00001 -0.00001 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 -0.00001 0.00000 0.00000 147 3S 0.00000 0.00000 0.00002 0.00000 0.00000 148 4S 0.00000 0.00001 0.00006 0.00001 0.00000 149 5S 0.00000 0.00002 -0.00010 0.00000 -0.00003 150 6S 0.00006 0.00005 -0.00045 -0.00037 0.00025 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00001 0.00004 0.00000 0.00001 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00002 0.00000 0.00000 157 9PX -0.00001 -0.00024 -0.00118 -0.00008 -0.00037 158 9PY 0.00000 0.00005 0.00001 -0.00001 0.00002 159 9PZ 0.00000 -0.00017 -0.00047 0.00003 -0.00004 160 10PX -0.00039 -0.00168 -0.00564 -0.00069 -0.00174 161 10PY 0.00002 0.00040 0.00016 -0.00007 0.00019 162 10PZ -0.00003 -0.00130 -0.00266 0.00016 -0.00009 163 11XX 0.00000 -0.00001 -0.00003 0.00000 0.00000 164 11YY 0.00000 -0.00001 -0.00002 0.00000 0.00000 165 11ZZ 0.00000 -0.00001 -0.00002 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 -0.00011 -0.00017 0.00001 -0.00004 170 12YY 0.00000 0.00000 -0.00004 0.00000 0.00000 171 12ZZ 0.00000 -0.00002 -0.00005 0.00001 -0.00001 172 12XY 0.00000 0.00000 0.00001 0.00001 0.00001 173 12XZ 0.00000 -0.00003 0.00003 0.00002 0.00001 174 12YZ 0.00000 -0.00001 -0.00001 0.00000 0.00000 71 72 73 74 75 71 5XX 0.00096 72 5YY 0.00022 0.00132 73 5ZZ 0.00008 -0.00003 0.00284 74 5XY 0.00000 0.00000 0.00000 0.00029 75 5XZ 0.00000 0.00000 0.00000 0.00000 0.00260 76 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 5 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 78 2S 0.00000 0.00000 0.00000 0.00000 0.00000 79 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 80 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 81 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 3S 0.00000 0.00000 0.00000 0.00000 0.00000 83 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 84 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 85 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 86 4S 0.00000 0.00000 0.00000 0.00000 0.00000 87 4PX 0.00000 0.00003 -0.00001 0.00000 0.00000 88 4PY 0.00000 0.00001 -0.00001 0.00001 0.00000 89 4PZ 0.00001 0.00002 -0.00001 0.00002 0.00000 90 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 91 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 92 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 94 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 99 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 100 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 3S 0.00000 0.00000 0.00000 0.00000 0.00000 102 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 103 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 104 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4S 0.00000 0.00000 0.00000 0.00000 0.00000 106 4PX 0.00000 0.00003 -0.00001 0.00000 0.00000 107 4PY 0.00000 0.00001 -0.00001 0.00001 0.00000 108 4PZ 0.00001 0.00002 -0.00001 0.00002 0.00000 109 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 110 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 111 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 7 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00000 0.00000 0.00000 0.00000 0.00000 117 3S 0.00000 0.00000 0.00000 0.00000 0.00000 118 4S 0.00000 0.00000 0.00000 0.00000 0.00000 119 5S 0.00000 0.00000 0.00000 0.00000 0.00000 120 6S -0.00001 0.00000 0.00000 0.00000 0.00000 121 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 122 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 128 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 129 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 10PX 0.00006 -0.00001 -0.00002 0.00001 0.00002 131 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 132 10PZ 0.00005 0.00000 -0.00001 0.00000 0.00000 133 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 140 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 141 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3S 0.00000 0.00000 0.00000 0.00000 0.00000 148 4S 0.00000 0.00000 0.00000 0.00000 0.00000 149 5S 0.00000 0.00000 0.00000 0.00000 0.00000 150 6S -0.00001 0.00000 0.00000 0.00000 0.00000 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 158 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX 0.00006 -0.00001 -0.00002 0.00001 0.00002 161 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 10PZ 0.00005 0.00000 -0.00001 0.00000 0.00000 163 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 164 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 165 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 76 77 78 79 80 76 5YZ 0.00127 77 5 Cl 1S 0.00000 2.16060 78 2S 0.00000 -0.16506 2.38949 79 2PX 0.00000 0.00000 0.00000 2.11893 80 2PY 0.00000 0.00000 0.00000 0.00000 2.09615 81 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 82 3S 0.00000 0.00052 -0.14827 0.00000 0.00000 83 3PX 0.00000 0.00000 0.00000 -0.11036 0.00000 84 3PY 0.00000 0.00000 0.00000 0.00000 -0.08990 85 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 86 4S -0.00001 0.00245 -0.07617 0.00000 0.00000 87 4PX 0.00001 0.00000 0.00000 -0.01598 0.00000 88 4PY 0.00000 0.00000 0.00000 0.00000 -0.00992 89 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 90 5XX 0.00000 0.00006 -0.00365 0.00000 0.00000 91 5YY 0.00000 0.00006 -0.00489 0.00000 0.00000 92 5ZZ 0.00000 0.00006 -0.00369 0.00000 0.00000 93 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 94 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 99 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 100 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 3S 0.00000 0.00000 0.00000 0.00000 0.00000 102 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 103 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 104 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4S -0.00001 0.00000 0.00000 0.00000 0.00000 106 4PX 0.00001 0.00000 0.00000 0.00000 0.00000 107 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 108 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 109 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 110 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 111 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 7 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00000 0.00000 0.00000 0.00000 0.00000 117 3S 0.00000 0.00000 0.00000 0.00000 0.00000 118 4S 0.00000 0.00000 0.00000 0.00000 0.00000 119 5S 0.00000 0.00000 0.00000 0.00000 0.00000 120 6S 0.00000 0.00000 0.00000 0.00000 0.00000 121 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 122 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 128 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 129 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 131 10PY 0.00000 0.00000 0.00001 0.00001 0.00002 132 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 140 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 141 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3S 0.00000 0.00000 0.00000 0.00000 0.00000 148 4S 0.00000 0.00000 0.00000 0.00000 0.00000 149 5S 0.00000 0.00000 0.00000 0.00000 0.00000 150 6S 0.00000 0.00000 0.00000 0.00000 0.00000 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 158 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 164 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 165 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 82 83 84 85 81 2PZ 2.11805 82 3S 0.00000 1.20401 83 3PX 0.00000 0.00000 1.01779 84 3PY 0.00000 0.00000 0.00000 0.84668 85 3PZ -0.10931 0.00000 0.00000 0.00000 1.00482 86 4S 0.00000 0.42071 0.00000 0.00000 0.00000 87 4PX 0.00000 0.00000 0.32429 0.00000 0.00000 88 4PY 0.00000 0.00000 0.00000 0.19204 0.00000 89 4PZ -0.01626 0.00000 0.00000 0.00000 0.33386 90 5XX 0.00000 -0.01415 0.00000 0.00000 0.00000 91 5YY 0.00000 -0.00262 0.00000 0.00000 0.00000 92 5ZZ 0.00000 -0.01377 0.00000 0.00000 0.00000 93 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 94 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 99 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 100 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 3S 0.00000 0.00000 0.00000 0.00000 0.00000 102 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 103 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 104 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4S 0.00000 0.00000 0.00000 0.00000 0.00000 106 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 107 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 108 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 109 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 110 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 111 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 7 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00000 0.00000 0.00000 0.00000 0.00000 117 3S 0.00000 0.00000 0.00000 0.00000 0.00000 118 4S 0.00000 0.00000 0.00000 0.00000 0.00000 119 5S 0.00000 0.00000 0.00000 0.00000 0.00000 120 6S 0.00000 0.00003 -0.00025 0.00001 0.00000 121 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 122 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 128 9PY 0.00000 0.00000 0.00000 -0.00001 0.00000 129 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 10PX 0.00000 0.00001 -0.00001 -0.00017 0.00000 131 10PY 0.00000 -0.00027 -0.00067 -0.00144 0.00000 132 10PZ 0.00000 0.00000 0.00000 0.00000 -0.00012 133 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 140 12YY 0.00000 0.00000 0.00002 0.00000 0.00000 141 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 12XY 0.00000 0.00000 0.00000 0.00001 0.00000 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3S 0.00000 0.00000 0.00000 0.00000 0.00000 148 4S 0.00000 0.00000 0.00000 0.00000 0.00000 149 5S 0.00000 0.00000 0.00000 0.00000 0.00000 150 6S 0.00000 0.00000 0.00000 0.00000 0.00000 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 158 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 164 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 165 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 86 87 88 89 90 86 4S 0.24557 87 4PX 0.00000 0.26788 88 4PY 0.00000 0.00000 0.11502 89 4PZ 0.00000 0.00000 0.00000 0.28693 90 5XX -0.00290 0.00000 0.00000 0.00000 0.00120 91 5YY -0.00432 0.00000 0.00000 0.00000 -0.00011 92 5ZZ -0.00257 0.00000 0.00000 0.00000 0.00038 93 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 94 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 99 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 100 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 3S 0.00000 0.00000 0.00000 0.00000 0.00000 102 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 103 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 104 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4S 0.00000 0.00000 0.00000 0.00000 0.00000 106 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 107 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 108 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 109 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 110 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 111 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 7 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00000 0.00000 0.00000 0.00000 0.00000 117 3S 0.00000 0.00001 0.00001 0.00000 0.00000 118 4S -0.00001 0.00003 0.00003 0.00000 0.00000 119 5S 0.00005 0.00003 -0.00008 0.00000 0.00000 120 6S -0.00015 -0.00158 0.00000 0.00000 0.00000 121 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 122 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 8PY 0.00001 0.00001 0.00003 0.00000 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX 0.00010 0.00000 -0.00010 0.00000 0.00000 128 9PY -0.00023 -0.00046 -0.00101 0.00000 0.00000 129 9PZ 0.00000 0.00000 0.00000 -0.00010 0.00000 130 10PX 0.00076 0.00001 -0.00011 0.00000 0.00000 131 10PY -0.00202 -0.00358 -0.00531 0.00000 0.00001 132 10PZ 0.00000 0.00000 0.00000 -0.00124 0.00000 133 11XX 0.00000 -0.00001 -0.00001 0.00000 0.00000 134 11YY 0.00001 -0.00001 -0.00001 0.00000 0.00000 135 11ZZ 0.00000 -0.00001 -0.00001 0.00000 0.00000 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00005 0.00004 -0.00002 0.00000 0.00000 140 12YY 0.00003 0.00019 -0.00004 0.00000 0.00000 141 12ZZ 0.00002 0.00003 -0.00004 0.00000 0.00000 142 12XY -0.00002 0.00000 0.00003 0.00000 0.00000 143 12XZ 0.00000 0.00000 0.00000 -0.00001 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3S 0.00000 0.00000 0.00000 0.00000 0.00000 148 4S 0.00000 0.00000 0.00000 0.00000 0.00000 149 5S 0.00000 0.00000 0.00000 0.00000 0.00000 150 6S 0.00000 -0.00001 0.00000 0.00000 0.00000 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 158 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX -0.00001 0.00001 -0.00001 0.00000 0.00000 161 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 164 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 165 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 92 93 94 95 91 5YY 0.00374 92 5ZZ -0.00011 0.00114 93 5XY 0.00000 0.00000 0.00115 94 5XZ 0.00000 0.00000 0.00000 0.00003 95 5YZ 0.00000 0.00000 0.00000 0.00000 0.00112 96 6 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 99 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 100 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 3S 0.00000 0.00000 0.00000 0.00000 0.00000 102 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 103 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 104 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 105 4S 0.00000 0.00000 0.00000 0.00000 0.00000 106 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 107 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 108 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 109 5XX 0.00000 0.00000 0.00000 0.00000 0.00000 110 5YY 0.00000 0.00000 0.00000 0.00000 0.00000 111 5ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 112 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 7 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00000 0.00000 0.00000 0.00000 0.00000 117 3S 0.00000 0.00000 0.00000 0.00000 0.00000 118 4S 0.00000 0.00000 0.00000 0.00000 0.00000 119 5S 0.00000 0.00000 0.00000 0.00000 0.00000 120 6S 0.00000 0.00000 -0.00001 0.00000 0.00000 121 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 122 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 128 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 129 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 131 10PY 0.00003 0.00000 0.00002 0.00000 0.00000 132 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 140 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 141 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3S 0.00000 0.00000 0.00000 0.00000 0.00000 148 4S 0.00000 0.00000 0.00000 0.00000 0.00000 149 5S 0.00000 0.00000 0.00000 0.00000 0.00000 150 6S 0.00000 0.00000 0.00000 0.00000 0.00000 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 158 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 164 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 165 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 97 98 99 100 96 6 Cl 1S 2.16060 97 2S -0.16506 2.38949 98 2PX 0.00000 0.00000 2.11893 99 2PY 0.00000 0.00000 0.00000 2.09615 100 2PZ 0.00000 0.00000 0.00000 0.00000 2.11805 101 3S 0.00052 -0.14827 0.00000 0.00000 0.00000 102 3PX 0.00000 0.00000 -0.11036 0.00000 0.00000 103 3PY 0.00000 0.00000 0.00000 -0.08990 0.00000 104 3PZ 0.00000 0.00000 0.00000 0.00000 -0.10931 105 4S 0.00245 -0.07617 0.00000 0.00000 0.00000 106 4PX 0.00000 0.00000 -0.01598 0.00000 0.00000 107 4PY 0.00000 0.00000 0.00000 -0.00992 0.00000 108 4PZ 0.00000 0.00000 0.00000 0.00000 -0.01626 109 5XX 0.00006 -0.00365 0.00000 0.00000 0.00000 110 5YY 0.00006 -0.00489 0.00000 0.00000 0.00000 111 5ZZ 0.00006 -0.00369 0.00000 0.00000 0.00000 112 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 7 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00000 0.00000 0.00000 0.00000 0.00000 117 3S 0.00000 0.00000 0.00000 0.00000 0.00000 118 4S 0.00000 0.00000 0.00000 0.00000 0.00000 119 5S 0.00000 0.00000 0.00000 0.00000 0.00000 120 6S 0.00000 0.00000 0.00000 0.00000 0.00000 121 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 122 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 128 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 129 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 131 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 132 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 140 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 141 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3S 0.00000 0.00000 0.00000 0.00000 0.00000 148 4S 0.00000 0.00000 0.00000 0.00000 0.00000 149 5S 0.00000 0.00000 0.00000 0.00000 0.00000 150 6S 0.00000 0.00000 0.00000 0.00000 0.00000 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 158 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 10PY 0.00000 0.00001 0.00001 0.00002 0.00000 162 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 164 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 165 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 102 103 104 105 101 3S 1.20401 102 3PX 0.00000 1.01779 103 3PY 0.00000 0.00000 0.84669 104 3PZ 0.00000 0.00000 0.00000 1.00482 105 4S 0.42071 0.00000 0.00000 0.00000 0.24557 106 4PX 0.00000 0.32428 0.00000 0.00000 0.00000 107 4PY 0.00000 0.00000 0.19205 0.00000 0.00000 108 4PZ 0.00000 0.00000 0.00000 0.33386 0.00000 109 5XX -0.01415 0.00000 0.00000 0.00000 -0.00290 110 5YY -0.00262 0.00000 0.00000 0.00000 -0.00432 111 5ZZ -0.01377 0.00000 0.00000 0.00000 -0.00257 112 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 7 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00000 0.00000 0.00000 0.00000 0.00000 117 3S 0.00000 0.00000 0.00000 0.00000 0.00000 118 4S 0.00000 0.00000 0.00000 0.00000 0.00000 119 5S 0.00000 0.00000 0.00000 0.00000 0.00000 120 6S 0.00000 0.00000 0.00000 0.00000 0.00000 121 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 122 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 128 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 129 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 10PX 0.00000 0.00000 0.00000 0.00000 -0.00001 131 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 132 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 140 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 141 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3S 0.00000 0.00000 0.00000 0.00000 0.00000 148 4S 0.00000 0.00000 0.00000 0.00000 -0.00001 149 5S 0.00000 0.00000 0.00000 0.00000 0.00005 150 6S 0.00003 -0.00025 0.00001 0.00000 -0.00015 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00001 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00000 0.00000 0.00000 0.00000 0.00010 158 9PY 0.00000 0.00000 -0.00001 0.00000 -0.00023 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX 0.00001 -0.00001 -0.00017 0.00000 0.00076 161 10PY -0.00027 -0.00067 -0.00144 0.00000 -0.00202 162 10PZ 0.00000 0.00000 0.00000 -0.00012 0.00000 163 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 164 11YY 0.00000 0.00000 0.00000 0.00000 0.00001 165 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 0.00000 0.00000 0.00005 170 12YY 0.00000 0.00002 0.00000 0.00000 0.00003 171 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00002 172 12XY 0.00000 0.00000 0.00001 0.00000 -0.00002 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 107 108 109 110 106 4PX 0.26788 107 4PY 0.00000 0.11502 108 4PZ 0.00000 0.00000 0.28693 109 5XX 0.00000 0.00000 0.00000 0.00120 110 5YY 0.00000 0.00000 0.00000 -0.00011 0.00374 111 5ZZ 0.00000 0.00000 0.00000 0.00038 -0.00011 112 5XY 0.00000 0.00000 0.00000 0.00000 0.00000 113 5XZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 5YZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 7 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 116 2S 0.00000 0.00000 0.00000 0.00000 0.00000 117 3S 0.00000 0.00000 0.00000 0.00000 0.00000 118 4S 0.00000 0.00000 0.00000 0.00000 0.00000 119 5S 0.00000 0.00000 0.00000 0.00000 0.00000 120 6S -0.00001 0.00000 0.00000 0.00000 0.00000 121 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 122 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 128 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 129 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 10PX 0.00001 -0.00001 0.00000 0.00000 0.00000 131 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 132 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 140 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 141 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3S 0.00001 0.00001 0.00000 0.00000 0.00000 148 4S 0.00003 0.00003 0.00000 0.00000 0.00000 149 5S 0.00003 -0.00008 0.00000 0.00000 0.00000 150 6S -0.00158 0.00000 0.00000 0.00000 0.00000 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00001 0.00003 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00000 -0.00010 0.00000 0.00000 0.00000 158 9PY -0.00046 -0.00101 0.00000 0.00000 0.00000 159 9PZ 0.00000 0.00000 -0.00010 0.00000 0.00000 160 10PX 0.00001 -0.00011 0.00000 0.00000 0.00000 161 10PY -0.00358 -0.00532 0.00000 0.00001 0.00003 162 10PZ 0.00000 0.00000 -0.00124 0.00000 0.00000 163 11XX -0.00001 -0.00001 0.00000 0.00000 0.00000 164 11YY -0.00001 -0.00001 0.00000 0.00000 0.00000 165 11ZZ -0.00001 -0.00001 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00004 -0.00002 0.00000 0.00000 0.00000 170 12YY 0.00019 -0.00004 0.00000 0.00000 0.00000 171 12ZZ 0.00003 -0.00004 0.00000 0.00000 0.00000 172 12XY 0.00000 0.00003 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 -0.00001 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 112 113 114 115 111 5ZZ 0.00114 112 5XY 0.00000 0.00115 113 5XZ 0.00000 0.00000 0.00003 114 5YZ 0.00000 0.00000 0.00000 0.00112 115 7 Br 1S 0.00000 0.00000 0.00000 0.00000 2.39615 116 2S 0.00000 0.00000 0.00000 0.00000 -0.50323 117 3S 0.00000 0.00000 0.00000 0.00000 0.07240 118 4S 0.00000 0.00000 0.00000 0.00000 0.06063 119 5S 0.00000 0.00000 0.00000 0.00000 0.00348 120 6S 0.00000 0.00000 0.00000 0.00000 0.00280 121 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 122 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 128 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 129 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 131 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 132 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 11XX 0.00000 0.00000 0.00000 0.00000 -0.00973 134 11YY 0.00000 0.00000 0.00000 0.00000 -0.00973 135 11ZZ 0.00000 0.00000 0.00000 0.00000 -0.00973 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00000 0.00000 0.00000 0.00000 -0.00001 140 12YY 0.00000 0.00000 0.00000 0.00000 -0.00001 141 12ZZ 0.00000 0.00000 0.00000 0.00000 -0.00001 142 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3S 0.00000 0.00000 0.00000 0.00000 0.00000 148 4S 0.00000 0.00000 0.00000 0.00000 0.00000 149 5S 0.00000 0.00000 0.00000 0.00000 0.00000 150 6S 0.00000 -0.00001 0.00000 0.00000 0.00000 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 158 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 10PY 0.00000 0.00002 0.00000 0.00000 0.00000 162 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 164 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 165 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 117 118 119 120 116 2S 4.75259 117 3S -1.88779 2.01410 118 4S -1.79421 2.63362 4.46558 119 5S -0.08530 0.03000 -0.04586 1.01474 120 6S -0.08177 0.10547 0.23029 0.54423 0.62910 121 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 122 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 123 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 124 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 128 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 129 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 130 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 131 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 132 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 133 11XX 0.59284 -0.73022 -1.23023 -0.08482 -0.11955 134 11YY 0.59289 -0.73061 -1.23075 -0.08118 -0.12468 135 11ZZ 0.59321 -0.73118 -1.23231 -0.07928 -0.12626 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00185 -0.01049 -0.05416 -0.01057 -0.09078 140 12YY 0.00185 -0.01049 -0.05408 -0.01382 -0.08886 141 12ZZ 0.00184 -0.01038 -0.05346 -0.01701 -0.08726 142 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3S 0.00000 0.00000 0.00000 0.00000 0.00000 148 4S 0.00000 0.00000 0.00000 0.00000 0.00000 149 5S 0.00000 0.00000 0.00000 0.00000 0.00000 150 6S 0.00000 0.00000 0.00000 0.00000 0.00000 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 158 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 164 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 165 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 121 122 123 124 125 121 7PX 2.30243 122 7PY 0.00000 2.30346 123 7PZ 0.00000 0.00000 2.30488 124 8PX -0.30781 0.00000 0.00000 2.44747 125 8PY 0.00000 -0.30888 0.00000 0.00000 2.45588 126 8PZ 0.00000 0.00000 -0.31038 0.00000 0.00000 127 9PX 0.00148 0.00000 0.00000 -0.10999 0.00000 128 9PY 0.00000 0.00167 0.00000 0.00000 -0.11591 129 9PZ 0.00000 0.00000 0.00190 0.00000 0.00000 130 10PX 0.00076 0.00000 0.00000 -0.03060 0.00000 131 10PY 0.00000 0.00078 0.00000 0.00000 -0.03358 132 10PZ 0.00000 0.00000 0.00087 0.00000 0.00000 133 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 140 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 141 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3S 0.00000 0.00000 0.00000 0.00000 0.00000 148 4S 0.00000 0.00000 0.00000 0.00000 0.00000 149 5S 0.00000 0.00000 0.00000 0.00000 0.00000 150 6S 0.00000 0.00000 0.00000 0.00000 0.00000 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 158 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 164 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 165 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 126 127 128 129 130 126 8PZ 2.46805 127 9PX 0.00000 0.64119 128 9PY 0.00000 0.00000 0.66898 129 9PZ -0.12403 0.00000 0.00000 0.70634 130 10PX 0.00000 0.29910 0.00000 0.00000 0.33008 131 10PY 0.00000 0.00000 0.33439 0.00000 0.00000 132 10PZ -0.03870 0.00000 0.00000 0.38966 0.00000 133 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 134 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 135 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 140 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 141 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 142 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3S 0.00000 0.00000 0.00000 0.00000 0.00000 148 4S 0.00000 0.00000 0.00000 0.00000 0.00000 149 5S 0.00000 0.00000 0.00000 0.00000 0.00000 150 6S 0.00000 0.00000 0.00000 0.00000 0.00000 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 158 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 164 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 165 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 132 133 134 135 131 10PY 0.39284 132 10PZ 0.00000 0.49480 133 11XX 0.00000 0.00000 2.71483 134 11YY 0.00000 0.00000 -0.08595 2.71559 135 11ZZ 0.00000 0.00000 -0.08588 -0.08584 2.71675 136 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 137 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 138 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 139 12XX 0.00000 0.00000 0.05547 0.01441 0.01454 140 12YY 0.00000 0.00000 0.01423 0.05608 0.01461 141 12ZZ 0.00000 0.00000 0.01413 0.01439 0.05594 142 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 143 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3S 0.00000 0.00000 0.00000 0.00000 0.00000 148 4S 0.00000 0.00000 0.00000 0.00000 0.00000 149 5S 0.00000 0.00000 0.00000 0.00000 0.00000 150 6S 0.00000 0.00000 0.00000 0.00000 0.00000 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 158 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 164 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 165 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 136 137 138 139 140 136 11XY 1.98204 137 11XZ 0.00000 1.98235 138 11YZ 0.00000 0.00000 1.98248 139 12XX 0.00000 0.00000 0.00000 0.08878 140 12YY 0.00000 0.00000 0.00000 0.02772 0.08656 141 12ZZ 0.00000 0.00000 0.00000 0.02749 0.02741 142 12XY 0.00866 0.00000 0.00000 0.00000 0.00000 143 12XZ 0.00000 0.00836 0.00000 0.00000 0.00000 144 12YZ 0.00000 0.00000 0.00831 0.00000 0.00000 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 0.00000 146 2S 0.00000 0.00000 0.00000 0.00000 0.00000 147 3S 0.00000 0.00000 0.00000 0.00000 0.00000 148 4S 0.00000 0.00000 0.00000 0.00000 0.00000 149 5S 0.00000 0.00000 0.00000 0.00000 0.00000 150 6S 0.00000 0.00000 0.00000 0.00000 0.00000 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 158 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 164 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 165 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 141 142 143 144 145 141 12ZZ 0.08287 142 12XY 0.00000 0.00307 143 12XZ 0.00000 0.00000 0.00246 144 12YZ 0.00000 0.00000 0.00000 0.00186 145 8 Br 1S 0.00000 0.00000 0.00000 0.00000 2.39615 146 2S 0.00000 0.00000 0.00000 0.00000 -0.50323 147 3S 0.00000 0.00000 0.00000 0.00000 0.07240 148 4S 0.00000 0.00000 0.00000 0.00000 0.06063 149 5S 0.00000 0.00000 0.00000 0.00000 0.00348 150 6S 0.00000 0.00000 0.00000 0.00000 0.00280 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 158 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 11XX 0.00000 0.00000 0.00000 0.00000 -0.00973 164 11YY 0.00000 0.00000 0.00000 0.00000 -0.00973 165 11ZZ 0.00000 0.00000 0.00000 0.00000 -0.00973 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 0.00000 0.00000 -0.00001 170 12YY 0.00000 0.00000 0.00000 0.00000 -0.00001 171 12ZZ 0.00000 0.00000 0.00000 0.00000 -0.00001 172 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 146 147 148 149 150 146 2S 4.75259 147 3S -1.88779 2.01410 148 4S -1.79421 2.63362 4.46558 149 5S -0.08530 0.03000 -0.04586 1.01474 150 6S -0.08177 0.10547 0.23030 0.54423 0.62910 151 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 152 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 153 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 154 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 155 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 156 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 157 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 158 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 159 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 160 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 161 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 162 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 163 11XX 0.59284 -0.73022 -1.23023 -0.08482 -0.11956 164 11YY 0.59289 -0.73061 -1.23075 -0.08119 -0.12468 165 11ZZ 0.59321 -0.73118 -1.23231 -0.07928 -0.12626 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00185 -0.01049 -0.05416 -0.01057 -0.09078 170 12YY 0.00185 -0.01049 -0.05408 -0.01382 -0.08886 171 12ZZ 0.00184 -0.01038 -0.05346 -0.01701 -0.08726 172 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 152 153 154 155 151 7PX 2.30243 152 7PY 0.00000 2.30346 153 7PZ 0.00000 0.00000 2.30488 154 8PX -0.30781 0.00000 0.00000 2.44748 155 8PY 0.00000 -0.30888 0.00000 0.00000 2.45588 156 8PZ 0.00000 0.00000 -0.31038 0.00000 0.00000 157 9PX 0.00148 0.00000 0.00000 -0.11000 0.00000 158 9PY 0.00000 0.00167 0.00000 0.00000 -0.11591 159 9PZ 0.00000 0.00000 0.00190 0.00000 0.00000 160 10PX 0.00076 0.00000 0.00000 -0.03060 0.00000 161 10PY 0.00000 0.00078 0.00000 0.00000 -0.03358 162 10PZ 0.00000 0.00000 0.00087 0.00000 0.00000 163 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 164 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 165 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 156 157 158 159 160 156 8PZ 2.46805 157 9PX 0.00000 0.64120 158 9PY 0.00000 0.00000 0.66896 159 9PZ -0.12403 0.00000 0.00000 0.70634 160 10PX 0.00000 0.29911 0.00000 0.00000 0.33011 161 10PY 0.00000 0.00000 0.33438 0.00000 0.00000 162 10PZ -0.03870 0.00000 0.00000 0.38966 0.00000 163 11XX 0.00000 0.00000 0.00000 0.00000 0.00000 164 11YY 0.00000 0.00000 0.00000 0.00000 0.00000 165 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 0.00000 0.00000 0.00000 170 12YY 0.00000 0.00000 0.00000 0.00000 0.00000 171 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 172 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 162 163 164 165 161 10PY 0.39282 162 10PZ 0.00000 0.49480 163 11XX 0.00000 0.00000 2.71483 164 11YY 0.00000 0.00000 -0.08595 2.71559 165 11ZZ 0.00000 0.00000 -0.08588 -0.08584 2.71675 166 11XY 0.00000 0.00000 0.00000 0.00000 0.00000 167 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000 168 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000 169 12XX 0.00000 0.00000 0.05547 0.01441 0.01454 170 12YY 0.00000 0.00000 0.01423 0.05608 0.01461 171 12ZZ 0.00000 0.00000 0.01413 0.01439 0.05594 172 12XY 0.00000 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000 166 167 168 169 170 166 11XY 1.98204 167 11XZ 0.00000 1.98235 168 11YZ 0.00000 0.00000 1.98248 169 12XX 0.00000 0.00000 0.00000 0.08878 170 12YY 0.00000 0.00000 0.00000 0.02772 0.08657 171 12ZZ 0.00000 0.00000 0.00000 0.02749 0.02741 172 12XY 0.00866 0.00000 0.00000 0.00000 0.00000 173 12XZ 0.00000 0.00836 0.00000 0.00000 0.00000 174 12YZ 0.00000 0.00000 0.00831 0.00000 0.00000 171 172 173 174 171 12ZZ 0.08287 172 12XY 0.00000 0.00307 173 12XZ 0.00000 0.00000 0.00246 174 12YZ 0.00000 0.00000 0.00000 0.00186 Gross orbital populations: 1 1 1 Al 1S 1.99884 2 2S 1.99023 3 2PX 1.98752 4 2PY 1.98846 5 2PZ 1.98732 6 3S 0.87177 7 3PX 0.42811 8 3PY 0.49199 9 3PZ 0.32817 10 4S -0.04263 11 4PX 0.08830 12 4PY 0.05266 13 4PZ 0.06752 14 5XX 0.02053 15 5YY 0.05796 16 5ZZ -0.01408 17 5XY 0.08041 18 5XZ 0.07196 19 5YZ 0.05196 20 2 Al 1S 1.99884 21 2S 1.99023 22 2PX 1.98752 23 2PY 1.98846 24 2PZ 1.98732 25 3S 0.87177 26 3PX 0.42810 27 3PY 0.49200 28 3PZ 0.32817 29 4S -0.04262 30 4PX 0.08830 31 4PY 0.05266 32 4PZ 0.06752 33 5XX 0.02053 34 5YY 0.05796 35 5ZZ -0.01408 36 5XY 0.08041 37 5XZ 0.07197 38 5YZ 0.05196 39 3 Cl 1S 1.99865 40 2S 1.98851 41 2PX 1.99036 42 2PY 1.99176 43 2PZ 1.99084 44 3S 1.45638 45 3PX 1.19018 46 3PY 1.28961 47 3PZ 1.20251 48 4S 0.53770 49 4PX 0.47414 50 4PY 0.59653 51 4PZ 0.47680 52 5XX -0.00671 53 5YY -0.02120 54 5ZZ -0.00648 55 5XY 0.00082 56 5XZ 0.00630 57 5YZ 0.00238 58 4 Cl 1S 1.99865 59 2S 1.98851 60 2PX 1.99036 61 2PY 1.99176 62 2PZ 1.99084 63 3S 1.45638 64 3PX 1.19018 65 3PY 1.28961 66 3PZ 1.20251 67 4S 0.53771 68 4PX 0.47415 69 4PY 0.59653 70 4PZ 0.47681 71 5XX -0.00671 72 5YY -0.02120 73 5ZZ -0.00648 74 5XY 0.00082 75 5XZ 0.00630 76 5YZ 0.00238 77 5 Cl 1S 1.99864 78 2S 1.98843 79 2PX 1.99164 80 2PY 1.99002 81 2PZ 1.99172 82 3S 1.45720 83 3PX 1.26857 84 3PY 1.11778 85 3PZ 1.25896 86 4S 0.53762 87 4PX 0.61186 88 4PY 0.37910 89 4PZ 0.63806 90 5XX -0.02081 91 5YY 0.00264 92 5ZZ -0.02042 93 5XY 0.00225 94 5XZ 0.00007 95 5YZ 0.00202 96 6 Cl 1S 1.99864 97 2S 1.98843 98 2PX 1.99164 99 2PY 1.99002 100 2PZ 1.99172 101 3S 1.45720 102 3PX 1.26857 103 3PY 1.11779 104 3PZ 1.25896 105 4S 0.53762 106 4PX 0.61185 107 4PY 0.37911 108 4PZ 0.63806 109 5XX -0.02081 110 5YY 0.00264 111 5ZZ -0.02042 112 5XY 0.00226 113 5XZ 0.00007 114 5YZ 0.00202 115 7 Br 1S 2.00285 116 2S 2.19078 117 3S 0.73292 118 4S 1.66316 119 5S 1.19800 120 6S 0.70332 121 7PX 1.99694 122 7PY 1.99709 123 7PZ 1.99728 124 8PX 1.99282 125 8PY 1.99317 126 8PZ 1.99368 127 9PX 0.92525 128 9PY 0.95493 129 9PZ 0.99680 130 10PX 0.69696 131 10PY 0.77216 132 10PZ 0.89241 133 11XX 1.05587 134 11YY 1.05640 135 11ZZ 1.05673 136 11XY 1.99036 137 11XZ 1.99066 138 11YZ 1.99075 139 12XX 0.09627 140 12YY 0.08612 141 12ZZ 0.07277 142 12XY 0.01821 143 12XZ 0.01267 144 12YZ 0.01122 145 8 Br 1S 2.00285 146 2S 2.19078 147 3S 0.73292 148 4S 1.66316 149 5S 1.19800 150 6S 0.70333 151 7PX 1.99694 152 7PY 1.99709 153 7PZ 1.99728 154 8PX 1.99282 155 8PY 1.99317 156 8PZ 1.99368 157 9PX 0.92527 158 9PY 0.95491 159 9PZ 0.99681 160 10PX 0.69699 161 10PY 0.77213 162 10PZ 0.89241 163 11XX 1.05587 164 11YY 1.05640 165 11ZZ 1.05673 166 11XY 1.99036 167 11XZ 1.99066 168 11YZ 1.99075 169 12XX 0.09626 170 12YY 0.08612 171 12ZZ 0.07277 172 12XY 0.01821 173 12XZ 0.01267 174 12YZ 0.01122 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Al 11.273477 -0.033209 0.197238 0.197195 0.414128 -0.003732 2 Al -0.033209 11.273481 0.197200 0.197237 -0.003732 0.414129 3 Cl 0.197238 0.197200 16.891014 -0.048729 -0.019332 -0.019330 4 Cl 0.197195 0.197237 -0.048729 16.891033 -0.019330 -0.019331 5 Cl 0.414128 -0.003732 -0.019332 -0.019330 16.841116 -0.000004 6 Cl -0.003732 0.414129 -0.019330 -0.019331 -0.000004 16.841117 7 Br 0.465847 -0.003957 -0.019491 -0.019489 -0.017471 -0.000013 8 Br -0.003957 0.465847 -0.019490 -0.019491 -0.000013 -0.017471 7 8 1 Al 0.465847 -0.003957 2 Al -0.003957 0.465847 3 Cl -0.019491 -0.019490 4 Cl -0.019489 -0.019491 5 Cl -0.017471 -0.000013 6 Cl -0.000013 -0.017471 7 Br 34.733130 -0.000002 8 Br -0.000002 34.733135 Mulliken charges: 1 1 Al 0.493011 2 Al 0.493004 3 Cl -0.159081 4 Cl -0.159096 5 Cl -0.195362 6 Cl -0.195364 7 Br -0.138556 8 Br -0.138557 Sum of Mulliken charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 Al 0.493011 2 Al 0.493004 3 Cl -0.159081 4 Cl -0.159096 5 Cl -0.195362 6 Cl -0.195364 7 Br -0.138556 8 Br -0.138557 APT charges: 1 1 Al 1.772901 2 Al 1.772902 3 Cl -0.708198 4 Cl -0.708202 5 Cl -0.580800 6 Cl -0.580805 7 Br -0.483900 8 Br -0.483900 Sum of APT charges = 0.00000 APT charges with hydrogens summed into heavy atoms: 1 1 Al 1.772901 2 Al 1.772902 3 Cl -0.708198 4 Cl -0.708202 5 Cl -0.580800 6 Cl -0.580805 7 Br -0.483900 8 Br -0.483900 Electronic spatial extent (au): = 4837.3560 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.0002 Y= 0.0001 Z= -0.0001 Tot= 0.0002 Quadrupole moment (field-independent basis, Debye-Ang): XX= -116.4841 YY= -120.1029 ZZ= -108.9132 XY= 3.2173 XZ= -0.0003 YZ= 0.0003 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= -1.3174 YY= -4.9362 ZZ= 6.2535 XY= 3.2173 XZ= -0.0003 YZ= 0.0003 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 0.0057 YYY= -0.0051 ZZZ= -0.0006 XYY= 0.0020 XXY= -0.0024 XXZ= -0.0001 XZZ= 0.0012 YZZ= -0.0011 YYZ= -0.0001 XYZ= 0.0000 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -3206.4217 YYYY= -1451.9481 ZZZZ= -523.9359 XXXY= 186.2004 XXXZ= 0.0011 YYYX= 177.3422 YYYZ= -0.0004 ZZZX= 0.0013 ZZZY= 0.0005 XXYY= -780.1157 XXZZ= -614.0336 YYZZ= -328.4392 XXYZ= 0.0019 YYXZ= 0.0006 ZZXY= 39.4652 N-N= 1.673744408014D+03 E-N=-2.114363282303D+04 KE= 7.430280235341D+03 Orbital energies and kinetic energies (alpha): 1 2 1 O -482.928495 583.734354 2 O -482.928395 583.706995 3 O -101.603984 136.906417 4 O -101.603982 136.906431 5 O -101.550328 136.906801 6 O -101.550328 136.906800 7 O -61.891397 119.412135 8 O -61.890450 119.462840 9 O -56.407811 117.126854 10 O -56.407791 117.127638 11 O -56.406034 117.136838 12 O -56.405950 117.140165 13 O -56.405939 117.142990 14 O -56.405924 117.143578 15 O -56.169322 79.149928 16 O -56.169316 79.150756 17 O -9.524376 21.541656 18 O -9.524353 21.542225 19 O -9.468949 21.543767 20 O -9.468940 21.544118 21 O -8.600388 27.590843 22 O -8.600099 27.598755 23 O -7.283107 20.531603 24 O -7.283083 20.536154 25 O -7.282366 20.540454 26 O -7.282362 20.542362 27 O -7.278866 20.545019 28 O -7.278833 20.550671 29 O -7.229320 20.537691 30 O -7.229318 20.537887 31 O -7.224696 20.549362 32 O -7.224693 20.549733 33 O -7.224501 20.546752 34 O -7.224493 20.548132 35 O -6.549251 26.129650 36 O -6.549250 26.129781 37 O -6.542628 26.145220 38 O -6.542626 26.145372 39 O -6.542383 26.142606 40 O -6.542377 26.144053 41 O -4.247042 10.772469 42 O -4.247039 10.773499 43 O -2.801581 9.815826 44 O -2.801579 9.815860 45 O -2.800800 9.808011 46 O -2.800765 9.807795 47 O -2.798907 9.806528 48 O -2.798899 9.808102 49 O -2.665730 21.384393 50 O -2.665728 21.384398 51 O -2.663756 21.394549 52 O -2.663755 21.394553 53 O -2.663562 21.394165 54 O -2.663561 21.394223 55 O -2.658278 21.403023 56 O -2.658276 21.403033 57 O -2.658272 21.402967 58 O -2.658270 21.402976 59 O -0.903437 2.897952 60 O -0.880866 3.162620 61 O -0.831537 3.062518 62 O -0.829669 3.104099 63 O -0.783119 3.745608 64 O -0.782113 3.771964 65 O -0.504760 2.048591 66 O -0.502846 2.145614 67 O -0.456952 2.092865 68 O -0.427991 2.076036 69 O -0.425176 2.244299 70 O -0.406903 2.466141 71 O -0.403723 2.348051 72 O -0.395071 2.263835 73 O -0.388336 2.398821 74 O -0.369808 2.511267 75 O -0.351222 2.176610 76 O -0.348103 2.222113 77 O -0.344511 2.292436 78 O -0.342357 2.327970 79 O -0.325511 2.336126 80 O -0.319767 2.410909 81 O -0.319697 2.439872 82 O -0.317608 2.452046 83 V -0.052855 2.395525 84 V -0.036999 2.679172 85 V -0.025625 1.504818 86 V 0.017752 1.253304 87 V 0.022265 1.681424 88 V 0.032091 1.639386 89 V 0.036549 1.466210 90 V 0.056989 1.327636 91 V 0.081604 1.171033 92 V 0.118423 1.090295 93 V 0.127072 1.421678 94 V 0.149000 1.214100 95 V 0.152022 1.470380 96 V 0.168009 1.573087 97 V 0.179761 1.516737 98 V 0.193165 1.133441 99 V 0.261298 1.485244 100 V 0.294942 2.045653 101 V 0.296919 1.589706 102 V 0.313374 1.890243 103 V 0.314414 1.813444 104 V 0.331503 1.796145 105 V 0.337780 1.804379 106 V 0.370205 1.589238 107 V 0.372552 2.056805 108 V 0.382943 1.771538 109 V 0.391629 2.405147 110 V 0.410870 2.054225 111 V 0.426187 2.199964 112 V 0.439740 2.316611 113 V 0.440551 2.245220 114 V 0.441782 2.172285 115 V 0.444106 2.283973 116 V 0.456435 1.941619 117 V 0.467121 2.968551 118 V 0.484262 2.700011 119 V 0.501034 2.326057 120 V 0.519672 2.157002 121 V 0.529650 2.593390 122 V 0.534401 2.873395 123 V 0.539998 2.874886 124 V 0.548107 2.564808 125 V 0.548451 2.165543 126 V 0.557064 2.437056 127 V 0.571680 2.649814 128 V 0.577499 2.448309 129 V 0.581803 3.109557 130 V 0.610059 2.522095 131 V 0.618499 2.969420 132 V 0.643474 3.219223 133 V 0.647359 2.778837 134 V 0.649918 3.365586 135 V 0.658034 3.192291 136 V 0.662848 2.679860 137 V 0.676574 2.668533 138 V 0.705529 3.011154 139 V 0.712842 2.908354 140 V 0.755475 2.659308 141 V 0.804079 2.688733 142 V 0.824401 2.645213 143 V 0.850103 2.733319 144 V 0.852977 2.626898 145 V 0.857500 2.640443 146 V 0.864913 2.644385 147 V 0.867154 2.650101 148 V 0.891391 2.821535 149 V 0.914886 2.732956 150 V 0.917222 2.771790 151 V 0.952997 3.043064 152 V 0.960760 2.658733 153 V 0.965103 2.673807 154 V 0.973795 2.955821 155 V 1.003192 2.914625 156 V 1.027944 2.883507 157 V 1.096967 2.791414 158 V 1.097316 3.120604 159 V 1.103367 3.185640 160 V 1.152224 2.939175 161 V 1.259510 3.169109 162 V 1.265071 3.164353 163 V 1.675943 6.586562 164 V 1.729893 6.603706 165 V 2.044569 6.208409 166 V 2.050087 6.103567 167 V 4.206918 14.882207 168 V 4.243589 14.796637 169 V 4.262794 14.855090 170 V 4.285531 14.804836 171 V 8.736007 33.742023 172 V 8.791144 33.906320 173 V 75.738879 347.502921 174 V 76.801179 351.638478 Total kinetic energy from orbitals= 7.430280235341D+03 Exact polarizability: 127.865 3.217 117.796 0.000 0.000 87.174 Approx polarizability: 169.968 12.215 176.896 0.001 0.000 136.353 ******************************Gaussian NBO Version 3.1****************************** N A T U R A L A T O M I C O R B I T A L A N D N A T U R A L B O N D O R B I T A L A N A L Y S I S ******************************Gaussian NBO Version 3.1****************************** /RESON / : Allow strongly delocalized NBO set Analyzing the SCF density Job title: Title Card Required Storage needed: 91788 in NPA, 121720 in NBO ( 805305968 available) NATURAL POPULATIONS: Natural atomic orbital occupancies NAO Atom No lang Type(AO) Occupancy Energy ---------------------------------------------------------- 1 Al 1 S Cor( 1S) 2.00000 -55.45007 2 Al 1 S Cor( 2S) 1.99946 -4.93080 3 Al 1 S Val( 3S) 0.62079 -0.22107 4 Al 1 S Ryd( 4S) 0.00095 0.17152 5 Al 1 S Ryd( 5S) 0.00001 1.97368 6 Al 1 px Cor( 2p) 1.99992 -2.79759 7 Al 1 px Val( 3p) 0.33054 -0.05150 8 Al 1 px Ryd( 4p) 0.00604 0.16627 9 Al 1 py Cor( 2p) 1.99995 -2.79530 10 Al 1 py Val( 3p) 0.34010 -0.03158 11 Al 1 py Ryd( 4p) 0.00773 0.17692 12 Al 1 pz Cor( 2p) 1.99992 -2.79960 13 Al 1 pz Val( 3p) 0.30029 -0.05830 14 Al 1 pz Ryd( 4p) 0.00421 0.14694 15 Al 1 dxy Ryd( 3d) 0.01430 0.49103 16 Al 1 dxz Ryd( 3d) 0.01115 0.49666 17 Al 1 dyz Ryd( 3d) 0.00926 0.43096 18 Al 1 dx2y2 Ryd( 3d) 0.01486 0.50958 19 Al 1 dz2 Ryd( 3d) 0.00488 0.47542 20 Al 2 S Cor( 1S) 2.00000 -55.45006 21 Al 2 S Cor( 2S) 1.99946 -4.93080 22 Al 2 S Val( 3S) 0.62079 -0.22107 23 Al 2 S Ryd( 4S) 0.00095 0.17152 24 Al 2 S Ryd( 5S) 0.00001 1.97369 25 Al 2 px Cor( 2p) 1.99992 -2.79758 26 Al 2 px Val( 3p) 0.33054 -0.05150 27 Al 2 px Ryd( 4p) 0.00604 0.16627 28 Al 2 py Cor( 2p) 1.99995 -2.79530 29 Al 2 py Val( 3p) 0.34011 -0.03158 30 Al 2 py Ryd( 4p) 0.00773 0.17692 31 Al 2 pz Cor( 2p) 1.99992 -2.79959 32 Al 2 pz Val( 3p) 0.30029 -0.05829 33 Al 2 pz Ryd( 4p) 0.00421 0.14694 34 Al 2 dxy Ryd( 3d) 0.01430 0.49104 35 Al 2 dxz Ryd( 3d) 0.01115 0.49667 36 Al 2 dyz Ryd( 3d) 0.00926 0.43095 37 Al 2 dx2y2 Ryd( 3d) 0.01486 0.50957 38 Al 2 dz2 Ryd( 3d) 0.00488 0.47543 39 Cl 3 S Cor( 1S) 2.00000 -100.50928 40 Cl 3 S Cor( 2S) 1.99979 -10.28386 41 Cl 3 S Val( 3S) 1.86792 -1.12264 42 Cl 3 S Ryd( 4S) 0.00063 0.73379 43 Cl 3 S Ryd( 5S) 0.00001 4.20446 44 Cl 3 px Cor( 2p) 1.99994 -7.27764 45 Cl 3 px Val( 3p) 1.79231 -0.40580 46 Cl 3 px Ryd( 4p) 0.00016 0.65188 47 Cl 3 py Cor( 2p) 1.99998 -7.27484 48 Cl 3 py Val( 3p) 1.92783 -0.39307 49 Cl 3 py Ryd( 4p) 0.00014 0.54003 50 Cl 3 pz Cor( 2p) 1.99997 -7.27763 51 Cl 3 pz Val( 3p) 1.83876 -0.41719 52 Cl 3 pz Ryd( 4p) 0.00024 0.53861 53 Cl 3 dxy Ryd( 3d) 0.00036 0.84520 54 Cl 3 dxz Ryd( 3d) 0.00306 0.96049 55 Cl 3 dyz Ryd( 3d) 0.00148 0.84028 56 Cl 3 dx2y2 Ryd( 3d) 0.00039 0.84913 57 Cl 3 dz2 Ryd( 3d) 0.00194 0.84566 58 Cl 4 S Cor( 1S) 2.00000 -100.50928 59 Cl 4 S Cor( 2S) 1.99979 -10.28386 60 Cl 4 S Val( 3S) 1.86793 -1.12263 61 Cl 4 S Ryd( 4S) 0.00063 0.73379 62 Cl 4 S Ryd( 5S) 0.00001 4.20446 63 Cl 4 px Cor( 2p) 1.99994 -7.27764 64 Cl 4 px Val( 3p) 1.79231 -0.40580 65 Cl 4 px Ryd( 4p) 0.00016 0.65188 66 Cl 4 py Cor( 2p) 1.99998 -7.27484 67 Cl 4 py Val( 3p) 1.92783 -0.39307 68 Cl 4 py Ryd( 4p) 0.00014 0.54003 69 Cl 4 pz Cor( 2p) 1.99997 -7.27763 70 Cl 4 pz Val( 3p) 1.83875 -0.41718 71 Cl 4 pz Ryd( 4p) 0.00024 0.53862 72 Cl 4 dxy Ryd( 3d) 0.00036 0.84520 73 Cl 4 dxz Ryd( 3d) 0.00306 0.96049 74 Cl 4 dyz Ryd( 3d) 0.00148 0.84028 75 Cl 4 dx2y2 Ryd( 3d) 0.00039 0.84913 76 Cl 4 dz2 Ryd( 3d) 0.00194 0.84566 77 Cl 5 S Cor( 1S) 2.00000 -100.47884 78 Cl 5 S Cor( 2S) 1.99978 -10.19341 79 Cl 5 S Val( 3S) 1.88733 -1.08752 80 Cl 5 S Ryd( 4S) 0.00019 0.70070 81 Cl 5 S Ryd( 5S) 0.00002 4.25528 82 Cl 5 px Cor( 2p) 1.99998 -7.22059 83 Cl 5 px Val( 3p) 1.92955 -0.33702 84 Cl 5 px Ryd( 4p) 0.00029 0.60390 85 Cl 5 py Cor( 2p) 1.99994 -7.22488 86 Cl 5 py Val( 3p) 1.74440 -0.37037 87 Cl 5 py Ryd( 4p) 0.00123 0.50150 88 Cl 5 pz Cor( 2p) 1.99999 -7.22076 89 Cl 5 pz Val( 3p) 1.92538 -0.33815 90 Cl 5 pz Ryd( 4p) 0.00036 0.51405 91 Cl 5 dxy Ryd( 3d) 0.00137 0.90415 92 Cl 5 dxz Ryd( 3d) 0.00003 0.85784 93 Cl 5 dyz Ryd( 3d) 0.00124 0.89171 94 Cl 5 dx2y2 Ryd( 3d) 0.00241 1.02845 95 Cl 5 dz2 Ryd( 3d) 0.00081 0.91623 96 Cl 6 S Cor( 1S) 2.00000 -100.47885 97 Cl 6 S Cor( 2S) 1.99978 -10.19341 98 Cl 6 S Val( 3S) 1.88733 -1.08751 99 Cl 6 S Ryd( 4S) 0.00019 0.70071 100 Cl 6 S Ryd( 5S) 0.00002 4.25528 101 Cl 6 px Cor( 2p) 1.99998 -7.22059 102 Cl 6 px Val( 3p) 1.92955 -0.33702 103 Cl 6 px Ryd( 4p) 0.00029 0.60389 104 Cl 6 py Cor( 2p) 1.99994 -7.22488 105 Cl 6 py Val( 3p) 1.74441 -0.37037 106 Cl 6 py Ryd( 4p) 0.00123 0.50150 107 Cl 6 pz Cor( 2p) 1.99999 -7.22076 108 Cl 6 pz Val( 3p) 1.92538 -0.33814 109 Cl 6 pz Ryd( 4p) 0.00036 0.51405 110 Cl 6 dxy Ryd( 3d) 0.00137 0.90416 111 Cl 6 dxz Ryd( 3d) 0.00003 0.85784 112 Cl 6 dyz Ryd( 3d) 0.00124 0.89171 113 Cl 6 dx2y2 Ryd( 3d) 0.00241 1.02844 114 Cl 6 dz2 Ryd( 3d) 0.00081 0.91623 115 Br 7 S Cor( 1S) 2.00000 -476.57086 116 Br 7 S Cor( 2S) 1.99992 -68.05520 117 Br 7 S Cor( 3S) 1.99979 -8.33491 118 Br 7 S Val( 4S) 1.88571 -1.14554 119 Br 7 S Ryd( 6S) 0.00021 19.35814 120 Br 7 S Ryd( 5S) 0.00017 0.60992 121 Br 7 S Ryd( 8S) 0.00000 44.81712 122 Br 7 S Ryd( 7S) 0.00000 21.99634 123 Br 7 px Cor( 2p) 1.99999 -55.10688 124 Br 7 px Cor( 3p) 1.99993 -7.84021 125 Br 7 px Val( 4p) 1.77165 -0.33164 126 Br 7 px Ryd( 5p) 0.00051 0.83937 127 Br 7 py Cor( 2p) 1.99999 -55.10642 128 Br 7 py Cor( 3p) 1.99995 -7.83889 129 Br 7 py Val( 4p) 1.82766 -0.32550 130 Br 7 py Ryd( 5p) 0.00047 0.67336 131 Br 7 pz Cor( 2p) 2.00000 -55.10572 132 Br 7 pz Cor( 3p) 1.99998 -7.83696 133 Br 7 pz Val( 4p) 1.91223 -0.31590 134 Br 7 pz Ryd( 5p) 0.00020 0.55819 135 Br 7 dxy Cor( 3d) 1.99996 -2.66369 136 Br 7 dxy Ryd( 4d) 0.00244 0.72255 137 Br 7 dxz Cor( 3d) 1.99999 -2.66165 138 Br 7 dxz Ryd( 4d) 0.00154 0.50510 139 Br 7 dyz Cor( 3d) 1.99999 -2.66035 140 Br 7 dyz Ryd( 4d) 0.00099 0.48913 141 Br 7 dx2y2 Cor( 3d) 1.99998 -2.66354 142 Br 7 dx2y2 Ryd( 4d) 0.00241 0.55950 143 Br 7 dz2 Cor( 3d) 1.99998 -2.66021 144 Br 7 dz2 Ryd( 4d) 0.00077 0.54908 145 Br 8 S Cor( 1S) 2.00000 -476.57086 146 Br 8 S Cor( 2S) 1.99992 -68.05520 147 Br 8 S Cor( 3S) 1.99979 -8.33490 148 Br 8 S Val( 4S) 1.88572 -1.14554 149 Br 8 S Ryd( 6S) 0.00021 19.35818 150 Br 8 S Ryd( 5S) 0.00017 0.60997 151 Br 8 S Ryd( 8S) 0.00000 44.81694 152 Br 8 S Ryd( 7S) 0.00000 21.99643 153 Br 8 px Cor( 2p) 1.99999 -55.10688 154 Br 8 px Cor( 3p) 1.99993 -7.84021 155 Br 8 px Val( 4p) 1.77168 -0.33164 156 Br 8 px Ryd( 5p) 0.00051 0.83936 157 Br 8 py Cor( 2p) 1.99999 -55.10642 158 Br 8 py Cor( 3p) 1.99995 -7.83889 159 Br 8 py Val( 4p) 1.82764 -0.32550 160 Br 8 py Ryd( 5p) 0.00047 0.67339 161 Br 8 pz Cor( 2p) 2.00000 -55.10572 162 Br 8 pz Cor( 3p) 1.99998 -7.83696 163 Br 8 pz Val( 4p) 1.91223 -0.31589 164 Br 8 pz Ryd( 5p) 0.00020 0.55819 165 Br 8 dxy Cor( 3d) 1.99996 -2.66368 166 Br 8 dxy Ryd( 4d) 0.00244 0.72257 167 Br 8 dxz Cor( 3d) 1.99999 -2.66165 168 Br 8 dxz Ryd( 4d) 0.00154 0.50510 169 Br 8 dyz Cor( 3d) 1.99999 -2.66035 170 Br 8 dyz Ryd( 4d) 0.00099 0.48914 171 Br 8 dx2y2 Cor( 3d) 1.99998 -2.66354 172 Br 8 dx2y2 Ryd( 4d) 0.00241 0.55948 173 Br 8 dz2 Cor( 3d) 1.99998 -2.66021 174 Br 8 dz2 Ryd( 4d) 0.00077 0.54908 WARNING: Population inversion found on atom Br 7 Population inversion found on atom Br 8 Summary of Natural Population Analysis: Natural Population Natural ----------------------------------------------- Atom No Charge Core Valence Rydberg Total ----------------------------------------------------------------------- Al 1 1.33562 9.99926 1.59173 0.07339 11.66438 Al 2 1.33562 9.99926 1.59173 0.07339 11.66438 Cl 3 -0.43491 9.99969 7.42681 0.00841 17.43491 Cl 4 -0.43491 9.99969 7.42682 0.00841 17.43491 Cl 5 -0.49430 9.99970 7.48666 0.00793 17.49430 Cl 6 -0.49430 9.99970 7.48667 0.00793 17.49430 Br 7 -0.40641 27.99945 7.39726 0.00971 35.40641 Br 8 -0.40642 27.99945 7.39726 0.00971 35.40642 ======================================================================= * Total * 0.00000 115.99618 47.80493 0.19888 164.00000 Natural Population -------------------------------------------------------- Core 115.99618 ( 99.9967% of 116) Valence 47.80493 ( 99.5936% of 48) Natural Minimal Basis 163.80112 ( 99.8787% of 164) Natural Rydberg Basis 0.19888 ( 0.1213% of 164) -------------------------------------------------------- Atom No Natural Electron Configuration ---------------------------------------------------------------------------- Al 1 [core]3S( 0.62)3p( 0.97)3d( 0.05)4p( 0.02) Al 2 [core]3S( 0.62)3p( 0.97)3d( 0.05)4p( 0.02) Cl 3 [core]3S( 1.87)3p( 5.56)3d( 0.01) Cl 4 [core]3S( 1.87)3p( 5.56)3d( 0.01) Cl 5 [core]3S( 1.89)3p( 5.60)3d( 0.01) Cl 6 [core]3S( 1.89)3p( 5.60)3d( 0.01) Br 7 [core]4S( 1.89)4p( 5.51)4d( 0.01) Br 8 [core]4S( 1.89)4p( 5.51)4d( 0.01) NATURAL BOND ORBITAL ANALYSIS: Occupancies Lewis Structure Low High Occ. ------------------- ----------------- occ occ Cycle Thresh. Lewis Non-Lewis CR BD 3C LP (L) (NL) Dev ============================================================================= 1(1) 1.90 162.96574 1.03426 58 8 0 16 0 4 0.04 ----------------------------------------------------------------------------- Structure accepted: No low occupancy Lewis orbitals -------------------------------------------------------- Core 115.99616 ( 99.997% of 116) Valence Lewis 46.96958 ( 97.853% of 48) ================== ============================ Total Lewis 162.96574 ( 99.369% of 164) ----------------------------------------------------- Valence non-Lewis 0.84558 ( 0.516% of 164) Rydberg non-Lewis 0.18868 ( 0.115% of 164) ================== ============================ Total non-Lewis 1.03426 ( 0.631% of 164) -------------------------------------------------------- (Occupancy) Bond orbital/ Coefficients/ Hybrids --------------------------------------------------------------------------------- 1. (1.96833) BD ( 1)Al 1 -Cl 3 ( 11.99%) 0.3463*Al 1 s( 20.06%)p 3.82( 76.73%)d 0.16( 3.21%) 0.0000 -0.0010 0.4477 0.0136 -0.0009 0.0002 -0.4976 -0.0163 -0.0001 0.2044 0.0064 -0.0002 -0.6894 -0.0484 -0.0602 0.1384 -0.0570 0.0640 0.0448 ( 88.01%) 0.9381*Cl 3 s( 22.42%)p 3.45( 77.45%)d 0.01( 0.13%) 0.0000 -0.0002 0.4734 0.0075 -0.0008 0.0000 0.6570 0.0009 0.0000 -0.2595 -0.0002 0.0000 0.5248 -0.0048 -0.0069 0.0284 -0.0112 0.0074 0.0178 2. (1.96833) BD ( 1)Al 1 -Cl 4 ( 11.99%) 0.3463*Al 1 s( 20.06%)p 3.83( 76.73%)d 0.16( 3.21%) 0.0000 0.0010 -0.4477 -0.0136 0.0009 -0.0002 0.4976 0.0163 0.0001 -0.2044 -0.0064 -0.0002 -0.6894 -0.0484 0.0602 0.1384 -0.0570 -0.0640 -0.0448 ( 88.01%) 0.9381*Cl 4 s( 22.41%)p 3.46( 77.45%)d 0.01( 0.13%) 0.0000 0.0002 -0.4734 -0.0075 0.0008 0.0000 -0.6571 -0.0009 0.0000 0.2596 0.0002 0.0000 0.5248 -0.0048 0.0069 0.0284 -0.0112 -0.0074 -0.0178 3. (1.97667) BD ( 1)Al 1 -Cl 5 ( 17.23%) 0.4151*Al 1 s( 29.52%)p 2.30( 67.83%)d 0.09( 2.65%) 0.0000 -0.0001 0.5431 -0.0119 -0.0016 0.0000 0.1311 0.0071 0.0000 -0.8114 -0.0523 0.0000 0.0000 0.0000 -0.0175 0.0000 0.0000 -0.1451 -0.0719 ( 82.77%) 0.9098*Cl 5 s( 28.85%)p 2.46( 70.97%)d 0.01( 0.18%) 0.0000 0.0000 0.5371 -0.0004 -0.0025 0.0000 -0.0882 -0.0003 0.0000 0.8374 -0.0249 0.0000 0.0000 0.0000 -0.0081 0.0000 0.0000 -0.0360 -0.0209 4. (1.97138) BD ( 1)Al 1 -Br 7 ( 20.27%) 0.4503*Al 1 s( 30.25%)p 2.23( 67.51%)d 0.07( 2.24%) 0.0000 0.0001 -0.5500 0.0026 -0.0024 -0.0001 -0.6689 -0.0463 0.0000 -0.4735 -0.0366 0.0000 0.0000 0.0000 -0.1343 0.0000 0.0000 -0.0195 0.0628 ( 79.73%) 0.8929*Br 7 s( 24.27%)p 3.11( 75.54%)d 0.01( 0.19%) 0.0000 0.0000 0.0000 -0.4925 0.0098 -0.0011 0.0002 0.0000 0.0000 0.0000 0.6812 0.0143 0.0000 0.0000 0.5394 0.0144 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0368 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0098 0.0000 0.0210 5. (1.96833) BD ( 1)Al 2 -Cl 3 ( 11.99%) 0.3463*Al 2 s( 20.06%)p 3.83( 76.73%)d 0.16( 3.21%) 0.0000 -0.0010 0.4477 0.0136 -0.0009 -0.0002 0.4976 0.0163 0.0001 -0.2044 -0.0064 -0.0002 -0.6894 -0.0484 -0.0601 -0.1384 0.0570 0.0640 0.0448 ( 88.01%) 0.9381*Cl 3 s( 22.41%)p 3.46( 77.45%)d 0.01( 0.13%) 0.0000 -0.0002 0.4734 0.0075 -0.0008 0.0000 -0.6571 -0.0009 0.0000 0.2595 0.0002 0.0000 0.5248 -0.0048 -0.0069 -0.0284 0.0112 0.0074 0.0178 6. (1.96833) BD ( 1)Al 2 -Cl 4 ( 11.99%) 0.3463*Al 2 s( 20.06%)p 3.82( 76.73%)d 0.16( 3.21%) 0.0000 0.0010 -0.4477 -0.0136 0.0009 0.0002 -0.4976 -0.0163 -0.0001 0.2044 0.0064 -0.0002 -0.6894 -0.0484 0.0601 -0.1384 0.0570 -0.0640 -0.0448 ( 88.01%) 0.9381*Cl 4 s( 22.42%)p 3.46( 77.45%)d 0.01( 0.13%) 0.0000 0.0002 -0.4734 -0.0075 0.0008 0.0000 0.6571 0.0009 0.0000 -0.2595 -0.0002 0.0000 0.5248 -0.0048 0.0069 -0.0284 0.0112 -0.0074 -0.0178 7. (1.97667) BD ( 1)Al 2 -Cl 6 ( 17.23%) 0.4151*Al 2 s( 29.52%)p 2.30( 67.83%)d 0.09( 2.65%) 0.0000 0.0001 -0.5431 0.0119 0.0016 0.0000 0.1312 0.0071 0.0000 -0.8114 -0.0523 0.0000 0.0000 0.0000 0.0175 0.0000 0.0000 0.1451 0.0719 ( 82.77%) 0.9098*Cl 6 s( 28.85%)p 2.46( 70.97%)d 0.01( 0.18%) 0.0000 0.0000 -0.5371 0.0004 0.0025 0.0000 -0.0883 -0.0003 0.0000 0.8374 -0.0249 0.0000 0.0000 0.0000 0.0082 0.0000 0.0000 0.0360 0.0209 8. (1.97138) BD ( 1)Al 2 -Br 8 ( 20.27%) 0.4503*Al 2 s( 30.25%)p 2.23( 67.51%)d 0.07( 2.24%) 0.0000 -0.0001 0.5500 -0.0026 0.0024 -0.0001 -0.6688 -0.0463 0.0000 -0.4736 -0.0366 0.0000 0.0000 0.0000 0.1343 0.0000 0.0000 0.0195 -0.0628 ( 79.73%) 0.8929*Br 8 s( 24.27%)p 3.11( 75.54%)d 0.01( 0.19%) 0.0000 0.0000 0.0000 0.4925 -0.0098 0.0011 -0.0002 0.0000 0.0000 0.0000 0.6811 0.0143 0.0000 0.0000 0.5395 0.0144 0.0000 0.0000 0.0000 0.0000 0.0000 0.0368 0.0000 0.0000 0.0000 0.0000 0.0000 0.0098 0.0000 -0.0210 9. (2.00000) CR ( 1)Al 1 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 10. (1.99946) CR ( 2)Al 1 s(100.00%)p 0.00( 0.00%)d 0.00( 0.00%) 0.0000 1.0000 0.0010 0.0000 0.0000 0.0000 -0.0009 0.0000 0.0000 0.0004 0.0000 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0001 0.0001 11. (1.99993) CR ( 3)Al 1 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0003 0.0000 0.0000 -1.0000 -0.0002 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 12. (1.99995) CR ( 4)Al 1 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 -0.0001 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 13. (1.99991) CR ( 5)Al 1 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 -0.0003 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 14. (2.00000) CR ( 1)Al 2 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 15. (1.99946) CR ( 2)Al 2 s(100.00%)p 0.00( 0.00%)d 0.00( 0.00%) 0.0000 1.0000 0.0010 0.0000 0.0000 0.0000 0.0009 0.0000 0.0000 -0.0004 0.0000 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0001 0.0001 16. (1.99993) CR ( 3)Al 2 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0003 0.0000 0.0000 1.0000 0.0002 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 17. (1.99995) CR ( 4)Al 2 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0001 0.0000 -1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 18. (1.99991) CR ( 5)Al 2 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 -0.0003 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 19. (2.00000) CR ( 1)Cl 3 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 20. (1.99979) CR ( 2)Cl 3 s(100.00%) 0.0000 1.0000 0.0003 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 21. (1.99994) CR ( 3)Cl 3 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 22. (1.99998) CR ( 4)Cl 3 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 23. (1.99997) CR ( 5)Cl 3 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 24. (2.00000) CR ( 1)Cl 4 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 25. (1.99979) CR ( 2)Cl 4 s(100.00%) 0.0000 1.0000 0.0003 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 26. (1.99994) CR ( 3)Cl 4 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 27. (1.99998) CR ( 4)Cl 4 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 28. (1.99997) CR ( 5)Cl 4 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 29. (2.00000) CR ( 1)Cl 5 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 30. (1.99978) CR ( 2)Cl 5 s(100.00%)p 0.00( 0.00%) 0.0000 1.0000 0.0003 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 31. (1.99998) CR ( 3)Cl 5 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 32. (1.99994) CR ( 4)Cl 5 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 33. (1.99999) CR ( 5)Cl 5 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 34. (2.00000) CR ( 1)Cl 6 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 35. (1.99978) CR ( 2)Cl 6 s(100.00%)p 0.00( 0.00%) 0.0000 1.0000 0.0003 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 36. (1.99998) CR ( 3)Cl 6 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 37. (1.99994) CR ( 4)Cl 6 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 -1.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 38. (1.99999) CR ( 5)Cl 6 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 39. (2.00000) CR ( 1)Br 7 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 40. (1.99992) CR ( 2)Br 7 s(100.00%) 0.0000 1.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 41. (1.99979) CR ( 3)Br 7 s(100.00%)p 0.00( 0.00%) 0.0000 0.0000 1.0000 -0.0003 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 42. (1.99999) CR ( 4)Br 7 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 43. (1.99993) CR ( 5)Br 7 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0001 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 44. (1.99999) CR ( 6)Br 7 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 45. (1.99995) CR ( 7)Br 7 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 46. (2.00000) CR ( 8)Br 7 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 47. (1.99998) CR ( 9)Br 7 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 48. (1.99996) CR (10)Br 7 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 49. (1.99999) CR (11)Br 7 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0002 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 50. (1.99999) CR (12)Br 7 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 51. (1.99998) CR (13)Br 7 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0002 0.0000 0.0000 0.0000 0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 52. (1.99998) CR (14)Br 7 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 53. (2.00000) CR ( 1)Br 8 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 54. (1.99992) CR ( 2)Br 8 s(100.00%) 0.0000 1.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 55. (1.99979) CR ( 3)Br 8 s(100.00%)p 0.00( 0.00%) 0.0000 0.0000 1.0000 -0.0003 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 56. (1.99999) CR ( 4)Br 8 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 57. (1.99993) CR ( 5)Br 8 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 -1.0000 -0.0001 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 58. (1.99999) CR ( 6)Br 8 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 59. (1.99995) CR ( 7)Br 8 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 -1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 60. (2.00000) CR ( 8)Br 8 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 61. (1.99998) CR ( 9)Br 8 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 62. (1.99996) CR (10)Br 8 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 63. (1.99999) CR (11)Br 8 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0002 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 64. (1.99999) CR (12)Br 8 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 65. (1.99998) CR (13)Br 8 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0002 0.0000 0.0000 0.0000 -0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 66. (1.99998) CR (14)Br 8 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 67. (1.98250) LP ( 1)Cl 3 s( 55.18%)p 0.81( 44.80%)d 0.00( 0.03%) 0.0000 -0.0002 0.7428 -0.0084 0.0008 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0001 -0.6693 0.0040 -0.0003 0.0000 0.0000 0.0004 -0.0168 68. (1.95396) LP ( 2)Cl 3 s( 0.00%)p 1.00( 99.95%)d 0.00( 0.05%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.3673 0.0021 -0.0001 0.9298 0.0052 0.0000 0.0000 0.0000 0.0000 0.0083 0.0213 0.0000 0.0000 69. (1.98250) LP ( 1)Cl 4 s( 55.18%)p 0.81( 44.79%)d 0.00( 0.03%) 0.0000 -0.0002 0.7428 -0.0084 0.0008 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0001 0.6693 -0.0040 -0.0003 0.0000 0.0000 0.0004 -0.0168 70. (1.95397) LP ( 2)Cl 4 s( 0.00%)p 1.00( 99.95%)d 0.00( 0.05%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.3673 0.0021 -0.0001 0.9298 0.0052 0.0000 -0.0001 0.0000 0.0000 -0.0083 -0.0213 0.0000 0.0000 71. (1.98410) LP ( 1)Cl 5 s( 71.13%)p 0.41( 28.86%)d 0.00( 0.02%) 0.0000 -0.0004 0.8434 0.0004 0.0013 0.0000 0.0502 -0.0003 -0.0002 -0.5348 0.0085 0.0000 0.0000 0.0000 0.0024 0.0000 0.0000 0.0107 0.0065 72. (1.93307) LP ( 2)Cl 5 s( 0.00%)p 1.00( 99.94%)d 0.00( 0.06%) 0.0000 0.0000 0.0051 -0.0004 0.0004 0.0000 0.9945 0.0107 0.0000 0.1015 0.0011 0.0000 0.0002 0.0000 0.0240 0.0000 0.0000 -0.0058 0.0004 73. (1.92680) LP ( 3)Cl 5 s( 0.00%)p 1.00( 99.94%)d 0.00( 0.06%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.9996 0.0116 0.0000 -0.0026 0.0244 0.0000 0.0000 74. (1.98410) LP ( 1)Cl 6 s( 71.13%)p 0.41( 28.86%)d 0.00( 0.02%) 0.0000 -0.0004 0.8434 0.0004 0.0013 0.0000 -0.0503 0.0003 0.0002 0.5348 -0.0085 0.0000 0.0000 0.0000 0.0024 0.0000 0.0000 0.0107 0.0065 75. (1.93307) LP ( 2)Cl 6 s( 0.00%)p 1.00( 99.94%)d 0.00( 0.06%) 0.0000 0.0000 0.0051 -0.0004 0.0004 0.0000 -0.9944 -0.0107 0.0000 -0.1016 -0.0011 0.0000 -0.0002 0.0000 0.0240 0.0000 0.0000 -0.0058 0.0004 76. (1.92680) LP ( 3)Cl 6 s( 0.00%)p 1.00( 99.94%)d 0.00( 0.06%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.9996 0.0116 0.0000 0.0026 -0.0244 0.0000 0.0000 77. (1.98212) LP ( 1)Br 7 s( 75.71%)p 0.32( 24.28%)d 0.00( 0.01%) 0.0000 -0.0002 0.0003 0.8701 0.0044 -0.0003 0.0000 0.0000 0.0000 -0.0002 0.3806 0.0031 0.0000 -0.0002 0.3129 0.0030 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0071 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0015 0.0000 0.0044 78. (1.92272) LP ( 2)Br 7 s( 0.01%)p 1.00( 99.87%)d 0.00( 0.12%) 0.0000 0.0000 0.0000 0.0079 0.0006 0.0000 0.0001 0.0000 0.0000 0.0000 0.6239 -0.0046 0.0000 0.0000 -0.7807 0.0061 0.0000 0.0000 0.0002 0.0000 -0.0001 0.0091 0.0000 0.0000 0.0000 0.0000 0.0003 -0.0333 0.0000 0.0011 79. (1.91480) LP ( 3)Br 7 s( 0.00%)p 1.00( 99.87%)d 0.00( 0.13%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0002 0.0000 0.0000 0.0000 0.0002 0.0000 0.0001 0.0000 0.9993 -0.0090 0.0000 0.0000 0.0002 -0.0277 0.0002 -0.0222 0.0000 0.0000 0.0000 0.0000 80. (1.98212) LP ( 1)Br 8 s( 75.71%)p 0.32( 24.28%)d 0.00( 0.01%) 0.0000 -0.0002 0.0003 0.8701 0.0044 -0.0003 0.0000 0.0000 0.0000 0.0002 -0.3805 -0.0031 0.0000 0.0002 -0.3130 -0.0030 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0071 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0015 0.0000 0.0044 81. (1.92272) LP ( 2)Br 8 s( 0.01%)p 1.00( 99.87%)d 0.00( 0.12%) 0.0000 0.0000 0.0000 0.0079 0.0006 0.0000 0.0001 0.0000 0.0000 0.0000 -0.6239 0.0046 0.0000 0.0000 0.7806 -0.0061 0.0000 0.0000 -0.0002 0.0000 -0.0001 0.0091 0.0000 0.0000 0.0000 0.0000 0.0003 -0.0333 0.0000 0.0011 82. (1.91480) LP ( 3)Br 8 s( 0.00%)p 1.00( 99.87%)d 0.00( 0.13%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0001 0.0000 0.0001 0.0000 0.9993 -0.0090 0.0000 0.0000 -0.0002 0.0277 -0.0002 0.0222 0.0000 0.0000 0.0000 0.0000 83. (0.02709) RY*( 1)Al 1 s( 0.10%)p99.99( 20.23%)d99.99( 79.67%) 0.0000 0.0000 0.0288 0.0110 -0.0090 0.0000 0.1674 -0.3305 0.0000 -0.1112 0.2295 0.0000 0.0001 -0.0001 -0.4779 0.0002 -0.0001 0.6994 0.2812 84. (0.02372) RY*( 2)Al 1 s( 0.00%)p 1.00( 20.92%)d 3.78( 79.08%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 -0.0001 0.0000 0.2206 -0.4007 0.0001 0.8447 -0.2778 -0.0002 -0.0001 85. (0.01903) RY*( 3)Al 1 s( 0.03%)p99.99( 32.32%)d99.99( 67.65%) 0.0000 0.0000 0.0066 0.0145 -0.0073 0.0000 0.0943 -0.2671 0.0000 0.1400 -0.4726 0.0000 0.0000 0.0000 -0.6831 -0.0001 -0.0001 -0.4560 0.0427 86. (0.00910) RY*( 4)Al 1 s( 0.00%)p 1.00( 0.31%)d99.99( 99.69%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0164 -0.0528 0.0000 0.2931 0.9545 0.0000 0.0000 87. (0.00457) RY*( 5)Al 1 s( 0.56%)p99.99( 69.32%)d54.08( 30.13%) 0.0000 0.0000 0.0058 0.0742 -0.0054 0.0000 -0.0118 -0.5155 0.0000 -0.0253 -0.6532 0.0000 0.0000 0.0000 0.4755 0.0000 0.0000 0.2654 0.0689 88. (0.00302) RY*( 6)Al 1 s( 3.87%)p 9.58( 37.12%)d15.24( 59.01%) 0.0000 0.0000 0.0196 0.1956 -0.0094 0.0000 0.0140 -0.4436 0.0000 0.0032 0.4174 0.0000 0.0000 -0.0003 0.2217 -0.0001 0.0000 -0.4391 0.5900 89. (0.00197) RY*( 7)Al 1 s( 0.00%)p 1.00( 83.25%)d 0.20( 16.75%) 0.0000 0.0000 0.0000 0.0002 0.0000 0.0000 0.0000 -0.0002 0.0000 0.0000 0.0001 0.0000 0.0229 0.9121 0.0001 0.4027 -0.0728 -0.0001 0.0001 90. (0.00179) RY*( 8)Al 1 s( 7.15%)p 5.28( 37.78%)d 7.70( 55.07%) 0.0000 0.0000 -0.0182 0.2658 0.0223 0.0000 -0.0481 -0.5205 0.0000 0.0271 0.3222 0.0000 0.0000 -0.0001 -0.0231 0.0000 0.0000 -0.0575 -0.7395 91. (0.00061) RY*( 9)Al 1 s( 88.49%)p 0.11( 9.94%)d 0.02( 1.57%) 0.0000 0.0000 -0.0043 0.9405 -0.0176 0.0000 0.0260 0.2887 0.0000 -0.0220 -0.1223 0.0000 0.0000 -0.0001 -0.0590 0.0000 0.0000 0.0818 0.0742 92. (0.00001) RY*(10)Al 1 s( 99.91%)p 0.00( 0.01%)d 0.00( 0.08%) 93. (0.02709) RY*( 1)Al 2 s( 0.10%)p99.99( 20.23%)d99.99( 79.67%) 0.0000 0.0000 0.0288 0.0110 -0.0090 0.0000 -0.1674 0.3305 0.0000 0.1112 -0.2295 0.0000 -0.0001 0.0001 -0.4778 0.0002 0.0000 0.6995 0.2812 94. (0.02372) RY*( 2)Al 2 s( 0.00%)p 1.00( 20.92%)d 3.78( 79.08%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0001 0.0000 -0.2206 0.4007 0.0001 0.8448 -0.2777 -0.0002 0.0000 95. (0.01903) RY*( 3)Al 2 s( 0.03%)p99.99( 32.32%)d99.99( 67.65%) 0.0000 0.0000 0.0066 0.0145 -0.0073 0.0000 -0.0943 0.2671 0.0000 -0.1401 0.4726 0.0000 0.0000 0.0000 -0.6832 0.0000 -0.0001 -0.4559 0.0427 96. (0.00910) RY*( 4)Al 2 s( 0.00%)p 1.00( 0.31%)d99.99( 99.69%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0164 0.0528 0.0000 0.2930 0.9545 0.0000 0.0000 97. (0.00457) RY*( 5)Al 2 s( 0.56%)p99.99( 69.32%)d54.07( 30.13%) 0.0000 0.0000 0.0058 0.0742 -0.0054 0.0000 0.0118 0.5154 0.0000 0.0253 0.6533 0.0000 0.0000 0.0000 0.4756 0.0000 0.0000 0.2652 0.0690 98. (0.00302) RY*( 6)Al 2 s( 3.87%)p 9.59( 37.12%)d15.24( 59.01%) 0.0000 0.0000 0.0196 0.1956 -0.0094 0.0000 -0.0140 0.4436 0.0000 -0.0032 -0.4174 0.0000 0.0000 0.0002 0.2216 -0.0001 0.0000 -0.4391 0.5900 99. (0.00197) RY*( 7)Al 2 s( 0.00%)p 1.00( 83.25%)d 0.20( 16.75%) 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 -0.0001 0.0000 -0.0229 -0.9121 0.0001 0.4027 -0.0728 -0.0001 0.0001 100. (0.00179) RY*( 8)Al 2 s( 7.15%)p 5.28( 37.78%)d 7.70( 55.07%) 0.0000 0.0000 -0.0182 0.2659 0.0223 0.0000 0.0481 0.5205 0.0000 -0.0271 -0.3222 0.0000 0.0000 0.0001 -0.0231 0.0000 0.0000 -0.0575 -0.7395 101. (0.00061) RY*( 9)Al 2 s( 88.49%)p 0.11( 9.94%)d 0.02( 1.57%) 0.0000 0.0000 -0.0043 0.9405 -0.0176 0.0000 -0.0260 -0.2887 0.0000 0.0220 0.1223 0.0000 0.0000 0.0001 -0.0590 0.0000 0.0000 0.0818 0.0742 102. (0.00001) RY*(10)Al 2 s( 99.91%)p 0.00( 0.01%)d 0.00( 0.08%) 103. (0.00039) RY*( 1)Cl 3 s( 0.15%)p56.92( 8.47%)d99.99( 91.38%) 0.0000 0.0000 -0.0002 0.0262 0.0283 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0225 0.2901 -0.1524 0.0000 0.0001 0.4425 -0.8336 104. (0.00033) RY*( 2)Cl 3 s( 73.19%)p 0.17( 12.14%)d 0.20( 14.67%) 0.0000 0.0000 0.0005 0.8488 0.1068 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 -0.0086 0.3484 -0.2209 -0.0001 0.0000 -0.3118 0.0261 105. (0.00028) RY*( 3)Cl 3 s( 11.18%)p 0.12( 1.35%)d 7.82( 87.47%) 0.0000 0.0000 -0.0001 0.3320 0.0398 0.0000 0.0000 -0.0001 0.0000 0.0000 -0.0001 0.0000 -0.0088 0.1159 0.7255 -0.0002 0.0001 0.5509 0.2117 106. (0.00025) RY*( 4)Cl 3 s( 0.00%)p 1.00( 22.03%)d 3.54( 77.97%) 0.0000 0.0000 0.0000 0.0002 0.0000 0.0000 -0.0364 0.4569 0.0000 0.0132 -0.1002 0.0000 0.0000 0.0001 0.0002 0.8321 -0.2955 0.0001 0.0000 107. (0.00018) RY*( 5)Cl 3 s( 0.00%)p 1.00( 12.20%)d 7.19( 87.80%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0133 -0.3153 0.0000 -0.0176 0.1488 0.0000 0.0000 -0.0001 -0.0001 0.4771 0.8065 0.0000 0.0001 108. (0.00015) RY*( 6)Cl 3 s( 0.00%)p 1.00( 69.26%)d 0.44( 30.74%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0130 0.6594 0.0000 -0.0129 -0.5074 0.0000 0.0000 0.0000 -0.0001 -0.2460 0.4969 0.0000 0.0000 109. (0.00015) RY*( 7)Cl 3 s( 11.71%)p 3.76( 44.06%)d 3.78( 44.22%) 0.0000 0.0000 -0.0084 0.3372 -0.0580 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 -0.0200 -0.6635 -0.4443 0.0000 -0.0001 0.4815 0.1140 110. (0.00006) RY*( 8)Cl 3 s( 0.00%)p 1.00( 96.74%)d 0.03( 3.26%) 111. (0.00002) RY*( 9)Cl 3 s( 7.74%)p 3.98( 30.84%)d 7.93( 61.42%) 112. (0.00000) RY*(10)Cl 3 s( 96.02%)p 0.03( 3.25%)d 0.01( 0.73%) 113. (0.00039) RY*( 1)Cl 4 s( 0.15%)p56.72( 8.47%)d99.99( 91.38%) 0.0000 0.0000 -0.0002 0.0263 0.0283 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 -0.0225 -0.2902 -0.1524 0.0000 0.0000 0.4425 -0.8336 114. (0.00033) RY*( 2)Cl 4 s( 73.19%)p 0.17( 12.14%)d 0.20( 14.66%) 0.0000 0.0000 0.0005 0.8488 0.1068 0.0000 0.0000 0.0001 0.0000 0.0000 -0.0001 0.0000 0.0086 -0.3483 -0.2208 -0.0001 0.0000 -0.3118 0.0263 115. (0.00028) RY*( 3)Cl 4 s( 11.17%)p 0.12( 1.35%)d 7.83( 87.48%) 0.0000 0.0000 -0.0001 0.3319 0.0397 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0088 -0.1158 0.7256 0.0001 0.0001 0.5509 0.2117 116. (0.00025) RY*( 4)Cl 4 s( 0.00%)p 1.00( 22.03%)d 3.54( 77.97%) 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0364 -0.4569 0.0000 -0.0132 0.1002 0.0000 0.0000 -0.0001 0.0000 0.8321 -0.2955 -0.0001 -0.0001 117. (0.00018) RY*( 5)Cl 4 s( 0.00%)p 1.00( 12.21%)d 7.19( 87.79%) 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0133 0.3153 0.0000 0.0176 -0.1489 0.0000 0.0000 -0.0001 0.0001 0.4771 0.8064 -0.0003 -0.0001 118. (0.00015) RY*( 6)Cl 4 s( 0.00%)p 1.00( 69.25%)d 0.44( 30.75%) 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0130 0.6594 0.0000 -0.0129 -0.5074 0.0000 0.0000 0.0000 0.0000 0.2460 -0.4969 0.0000 0.0001 119. (0.00015) RY*( 7)Cl 4 s( 11.71%)p 3.76( 44.06%)d 3.78( 44.22%) 0.0000 0.0000 -0.0084 0.3372 -0.0580 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0200 0.6635 -0.4443 0.0002 0.0002 0.4815 0.1140 120. (0.00006) RY*( 8)Cl 4 s( 0.00%)p 1.00( 96.74%)d 0.03( 3.26%) 121. (0.00002) RY*( 9)Cl 4 s( 7.74%)p 3.98( 30.84%)d 7.93( 61.42%) 122. (0.00000) RY*(10)Cl 4 s( 96.02%)p 0.03( 3.25%)d 0.01( 0.73%) 123. (0.00026) RY*( 1)Cl 5 s( 62.85%)p 0.05( 3.40%)d 0.54( 33.76%) 0.0000 0.0000 0.0014 0.7926 -0.0170 0.0000 0.0145 -0.1214 0.0000 0.0079 0.1377 0.0000 0.0000 0.0000 -0.5517 0.0000 0.0000 0.1112 0.1442 124. (0.00014) RY*( 2)Cl 5 s( 13.80%)p 2.40( 33.09%)d 3.85( 53.11%) 0.0000 0.0000 -0.0005 0.3710 0.0201 0.0000 -0.0131 -0.3848 0.0000 -0.0007 0.4273 0.0000 0.0000 0.0001 0.6208 0.0000 -0.0001 -0.3655 -0.1102 125. (0.00012) RY*( 3)Cl 5 s( 0.00%)p 1.00( 56.61%)d 0.77( 43.39%) 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 -0.0003 0.0000 0.0075 0.7524 -0.0002 0.0586 -0.6561 -0.0002 -0.0001 126. (0.00011) RY*( 4)Cl 5 s( 0.68%)p74.21( 50.51%)d71.70( 48.80%) 0.0000 0.0000 0.0122 -0.0389 0.0717 0.0000 -0.0116 0.3721 0.0000 0.0441 0.6038 0.0000 0.0000 0.0004 0.2209 0.0000 -0.0003 0.5368 0.3887 127. (0.00007) RY*( 5)Cl 5 s( 0.00%)p 1.00( 40.33%)d 1.48( 59.67%) 128. (0.00004) RY*( 6)Cl 5 s( 9.11%)p 7.51( 68.48%)d 2.46( 22.41%) 129. (0.00002) RY*( 7)Cl 5 s( 16.94%)p 2.38( 40.32%)d 2.52( 42.74%) 130. (0.00000) RY*( 8)Cl 5 s( 95.49%)p 0.04( 3.58%)d 0.01( 0.93%) 131. (0.00001) RY*( 9)Cl 5 s( 0.00%)p 1.00( 3.12%)d31.02( 96.88%) 132. (0.00000) RY*(10)Cl 5 s( 1.15%)p 0.76( 0.87%)d85.46( 97.98%) 133. (0.00026) RY*( 1)Cl 6 s( 62.85%)p 0.05( 3.40%)d 0.54( 33.75%) 0.0000 0.0000 0.0014 0.7926 -0.0170 0.0000 -0.0145 0.1215 0.0000 -0.0079 -0.1377 0.0000 0.0000 0.0000 -0.5516 0.0000 0.0000 0.1113 0.1442 134. (0.00014) RY*( 2)Cl 6 s( 13.79%)p 2.40( 33.08%)d 3.85( 53.12%) 0.0000 0.0000 -0.0005 0.3708 0.0201 0.0000 0.0131 0.3850 0.0000 0.0007 -0.4272 0.0000 0.0000 -0.0002 0.6207 0.0000 -0.0001 -0.3658 -0.1103 135. (0.00012) RY*( 3)Cl 6 s( 0.00%)p 1.00( 56.61%)d 0.77( 43.39%) 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 -0.0003 0.0000 0.0075 0.7523 0.0002 -0.0587 0.6561 0.0001 0.0001 136. (0.00011) RY*( 4)Cl 6 s( 0.68%)p74.30( 50.52%)d71.76( 48.80%) 0.0000 0.0000 0.0122 -0.0388 0.0717 0.0000 0.0116 -0.3720 0.0000 -0.0441 -0.6039 0.0000 0.0000 -0.0003 0.2211 0.0000 -0.0002 0.5367 0.3887 137. (0.00007) RY*( 5)Cl 6 s( 0.00%)p 1.00( 40.33%)d 1.48( 59.67%) 138. (0.00004) RY*( 6)Cl 6 s( 9.12%)p 7.51( 68.47%)d 2.46( 22.42%) 139. (0.00002) RY*( 7)Cl 6 s( 16.94%)p 2.38( 40.32%)d 2.52( 42.74%) 140. (0.00000) RY*( 8)Cl 6 s( 95.49%)p 0.04( 3.58%)d 0.01( 0.93%) 141. (0.00001) RY*( 9)Cl 6 s( 0.00%)p 1.00( 3.12%)d31.02( 96.88%) 142. (0.00000) RY*(10)Cl 6 s( 1.14%)p 0.76( 0.87%)d85.59( 97.98%) 143. (0.00027) RY*( 1)Br 7 s( 59.88%)p 0.39( 23.60%)d 0.28( 16.52%) 0.0000 0.0000 0.0000 0.0001 0.0826 0.7694 -0.0055 0.0003 0.0000 0.0000 0.0069 0.4856 0.0000 0.0000 -0.0113 -0.0062 0.0000 0.0000 0.0000 0.0000 0.0000 0.1220 0.0000 0.0000 0.0000 0.0000 0.0000 0.3649 0.0000 0.1312 144. (0.00021) RY*( 2)Br 7 s( 2.11%)p 7.41( 15.62%)d39.02( 82.27%) 0.0000 0.0000 0.0000 -0.0145 -0.0362 0.1100 -0.0853 -0.0138 0.0000 0.0000 0.0295 -0.1726 0.0000 0.0000 0.0337 -0.3528 0.0000 0.0000 0.0000 0.0000 0.0000 0.7697 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0887 0.0000 -0.4716 145. (0.00014) RY*( 3)Br 7 s( 1.07%)p34.41( 36.77%)d58.17( 62.16%) 0.0000 0.0000 0.0000 0.0040 0.1021 0.0145 -0.0062 -0.0005 0.0000 0.0000 -0.0274 0.4827 0.0000 0.0000 0.0130 0.3658 0.0000 0.0000 0.0000 0.0000 0.0000 0.2009 0.0000 0.0000 0.0000 0.0000 0.0000 -0.7622 0.0000 0.0168 146. (0.00009) RY*( 4)Br 7 s( 0.00%)p 1.00( 0.41%)d99.99( 99.59%) 147. (0.00005) RY*( 5)Br 7 s( 0.00%)p 1.00( 87.21%)d 0.15( 12.79%) 148. (0.00004) RY*( 6)Br 7 s( 44.12%)p 0.61( 26.81%)d 0.66( 29.07%) 149. (0.00003) RY*( 7)Br 7 s( 28.41%)p 2.25( 63.93%)d 0.27( 7.66%) 150. (0.00002) RY*( 8)Br 7 s( 0.00%)p 1.00( 12.51%)d 7.00( 87.49%) 151. (0.00001) RY*( 9)Br 7 s( 53.19%)p 0.55( 29.42%)d 0.33( 17.39%) 152. (0.00001) RY*(10)Br 7 s( 14.70%)p 0.20( 3.01%)d 5.60( 82.29%) 153. (0.00000) RY*(11)Br 7 s( 96.58%)p 0.01( 1.13%)d 0.02( 2.29%) 154. (0.00000) RY*(12)Br 7 s( 99.96%)p 0.00( 0.01%)d 0.00( 0.03%) 155. (0.00027) RY*( 1)Br 8 s( 59.88%)p 0.39( 23.60%)d 0.28( 16.52%) 0.0000 0.0000 0.0000 0.0001 0.0826 0.7694 -0.0055 0.0003 0.0000 0.0000 -0.0069 -0.4855 0.0000 0.0000 0.0113 0.0061 0.0000 0.0000 0.0000 0.0000 0.0000 0.1222 0.0000 0.0000 0.0000 0.0000 0.0000 0.3648 0.0000 0.1312 156. (0.00021) RY*( 2)Br 8 s( 2.11%)p 7.41( 15.62%)d39.02( 82.27%) 0.0000 0.0000 0.0000 -0.0145 -0.0362 0.1100 -0.0853 -0.0138 0.0000 0.0000 -0.0295 0.1726 0.0000 0.0000 -0.0337 0.3528 0.0000 0.0000 0.0000 0.0000 0.0000 0.7697 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0889 0.0000 -0.4716 157. (0.00014) RY*( 3)Br 8 s( 1.07%)p34.41( 36.77%)d58.17( 62.16%) 0.0000 0.0000 0.0000 0.0040 0.1021 0.0145 -0.0062 -0.0005 0.0000 0.0000 0.0274 -0.4826 0.0000 0.0000 -0.0130 -0.3658 0.0000 0.0000 0.0000 0.0000 0.0000 0.2007 0.0000 -0.0001 0.0000 0.0000 0.0000 -0.7623 0.0000 0.0168 158. (0.00009) RY*( 4)Br 8 s( 0.00%)p 1.00( 0.41%)d99.99( 99.59%) 159. (0.00005) RY*( 5)Br 8 s( 0.00%)p 1.00( 87.22%)d 0.15( 12.78%) 160. (0.00004) RY*( 6)Br 8 s( 44.12%)p 0.61( 26.81%)d 0.66( 29.07%) 161. (0.00003) RY*( 7)Br 8 s( 28.40%)p 2.25( 63.93%)d 0.27( 7.67%) 162. (0.00002) RY*( 8)Br 8 s( 0.00%)p 1.00( 12.50%)d 7.00( 87.50%) 163. (0.00001) RY*( 9)Br 8 s( 53.18%)p 0.55( 29.43%)d 0.33( 17.39%) 164. (0.00001) RY*(10)Br 8 s( 14.71%)p 0.20( 3.01%)d 5.59( 82.28%) 165. (0.00000) RY*(11)Br 8 s( 96.58%)p 0.01( 1.13%)d 0.02( 2.29%) 166. (0.00000) RY*(12)Br 8 s( 99.96%)p 0.00( 0.01%)d 0.00( 0.03%) 167. (0.13494) BD*( 1)Al 1 -Cl 3 ( 88.01%) 0.9381*Al 1 s( 20.06%)p 3.82( 76.73%)d 0.16( 3.21%) 0.0000 -0.0010 0.4477 0.0136 -0.0009 0.0002 -0.4976 -0.0163 -0.0001 0.2044 0.0064 -0.0002 -0.6894 -0.0484 -0.0602 0.1384 -0.0570 0.0640 0.0448 ( 11.99%) -0.3463*Cl 3 s( 22.42%)p 3.45( 77.45%)d 0.01( 0.13%) 0.0000 -0.0002 0.4734 0.0075 -0.0008 0.0000 0.6570 0.0009 0.0000 -0.2595 -0.0002 0.0000 0.5248 -0.0048 -0.0069 0.0284 -0.0112 0.0074 0.0178 168. (0.13496) BD*( 1)Al 1 -Cl 4 ( 88.01%) 0.9381*Al 1 s( 20.06%)p 3.83( 76.73%)d 0.16( 3.21%) 0.0000 0.0010 -0.4477 -0.0136 0.0009 -0.0002 0.4976 0.0163 0.0001 -0.2044 -0.0064 -0.0002 -0.6894 -0.0484 0.0602 0.1384 -0.0570 -0.0640 -0.0448 ( 11.99%) -0.3463*Cl 4 s( 22.41%)p 3.46( 77.45%)d 0.01( 0.13%) 0.0000 0.0002 -0.4734 -0.0075 0.0008 0.0000 -0.6571 -0.0009 0.0000 0.2596 0.0002 0.0000 0.5248 -0.0048 0.0069 0.0284 -0.0112 -0.0074 -0.0178 169. (0.07995) BD*( 1)Al 1 -Cl 5 ( 82.77%) 0.9098*Al 1 s( 29.52%)p 2.30( 67.83%)d 0.09( 2.65%) 0.0000 -0.0001 0.5431 -0.0119 -0.0016 0.0000 0.1311 0.0071 0.0000 -0.8114 -0.0523 0.0000 0.0000 0.0000 -0.0175 0.0000 0.0000 -0.1451 -0.0719 ( 17.23%) -0.4151*Cl 5 s( 28.85%)p 2.46( 70.97%)d 0.01( 0.18%) 0.0000 0.0000 0.5371 -0.0004 -0.0025 0.0000 -0.0882 -0.0003 0.0000 0.8374 -0.0249 0.0000 0.0000 0.0000 -0.0081 0.0000 0.0000 -0.0360 -0.0209 170. (0.07293) BD*( 1)Al 1 -Br 7 ( 79.73%) 0.8929*Al 1 s( 30.25%)p 2.23( 67.51%)d 0.07( 2.24%) 0.0000 0.0001 -0.5500 0.0026 -0.0024 -0.0001 -0.6689 -0.0463 0.0000 -0.4735 -0.0366 0.0000 0.0000 0.0000 -0.1343 0.0000 0.0000 -0.0195 0.0628 ( 20.27%) -0.4503*Br 7 s( 24.27%)p 3.11( 75.54%)d 0.01( 0.19%) 0.0000 0.0000 0.0000 -0.4925 0.0098 -0.0011 0.0002 0.0000 0.0000 0.0000 0.6812 0.0143 0.0000 0.0000 0.5394 0.0144 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0368 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0098 0.0000 0.0210 171. (0.13496) BD*( 1)Al 2 -Cl 3 ( 88.01%) 0.9381*Al 2 s( 20.06%)p 3.83( 76.73%)d 0.16( 3.21%) 0.0000 -0.0010 0.4477 0.0136 -0.0009 -0.0002 0.4976 0.0163 0.0001 -0.2044 -0.0064 -0.0002 -0.6894 -0.0484 -0.0601 -0.1384 0.0570 0.0640 0.0448 ( 11.99%) -0.3463*Cl 3 s( 22.41%)p 3.46( 77.45%)d 0.01( 0.13%) 0.0000 -0.0002 0.4734 0.0075 -0.0008 0.0000 -0.6571 -0.0009 0.0000 0.2595 0.0002 0.0000 0.5248 -0.0048 -0.0069 -0.0284 0.0112 0.0074 0.0178 172. (0.13494) BD*( 1)Al 2 -Cl 4 ( 88.01%) 0.9381*Al 2 s( 20.06%)p 3.82( 76.73%)d 0.16( 3.21%) 0.0000 0.0010 -0.4477 -0.0136 0.0009 0.0002 -0.4976 -0.0163 -0.0001 0.2044 0.0064 -0.0002 -0.6894 -0.0484 0.0601 -0.1384 0.0570 -0.0640 -0.0448 ( 11.99%) -0.3463*Cl 4 s( 22.42%)p 3.46( 77.45%)d 0.01( 0.13%) 0.0000 0.0002 -0.4734 -0.0075 0.0008 0.0000 0.6571 0.0009 0.0000 -0.2595 -0.0002 0.0000 0.5248 -0.0048 0.0069 -0.0284 0.0112 -0.0074 -0.0178 173. (0.07995) BD*( 1)Al 2 -Cl 6 ( 82.77%) 0.9098*Al 2 s( 29.52%)p 2.30( 67.83%)d 0.09( 2.65%) 0.0000 0.0001 -0.5431 0.0119 0.0016 0.0000 0.1312 0.0071 0.0000 -0.8114 -0.0523 0.0000 0.0000 0.0000 0.0175 0.0000 0.0000 0.1451 0.0719 ( 17.23%) -0.4151*Cl 6 s( 28.85%)p 2.46( 70.97%)d 0.01( 0.18%) 0.0000 0.0000 -0.5371 0.0004 0.0025 0.0000 -0.0883 -0.0003 0.0000 0.8374 -0.0249 0.0000 0.0000 0.0000 0.0082 0.0000 0.0000 0.0360 0.0209 174. (0.07293) BD*( 1)Al 2 -Br 8 ( 79.73%) 0.8929*Al 2 s( 30.25%)p 2.23( 67.51%)d 0.07( 2.24%) 0.0000 -0.0001 0.5500 -0.0026 0.0024 -0.0001 -0.6688 -0.0463 0.0000 -0.4736 -0.0366 0.0000 0.0000 0.0000 0.1343 0.0000 0.0000 0.0195 -0.0628 ( 20.27%) -0.4503*Br 8 s( 24.27%)p 3.11( 75.54%)d 0.01( 0.19%) 0.0000 0.0000 0.0000 0.4925 -0.0098 0.0011 -0.0002 0.0000 0.0000 0.0000 0.6811 0.0143 0.0000 0.0000 0.5395 0.0144 0.0000 0.0000 0.0000 0.0000 0.0000 0.0368 0.0000 0.0000 0.0000 0.0000 0.0000 0.0098 0.0000 -0.0210 NHO Directionality and "Bond Bending" (deviations from line of nuclear centers) [Thresholds for printing: angular deviation > 1.0 degree] hybrid p-character > 25.0% orbital occupancy > 0.10e Line of Centers Hybrid 1 Hybrid 2 --------------- ------------------- ------------------ NBO Theta Phi Theta Phi Dev Theta Phi Dev ======================================================================================== 1. BD ( 1)Al 1 -Cl 3 135.4 158.2 143.0 157.7 7.7 53.7 338.5 9.0 2. BD ( 1)Al 1 -Cl 4 44.6 158.2 37.0 157.7 7.7 126.3 338.5 9.1 3. BD ( 1)Al 1 -Cl 5 90.0 275.8 90.0 279.1 3.3 -- -- -- 4. BD ( 1)Al 1 -Br 7 90.0 38.6 90.0 35.5 3.1 -- -- -- 5. BD ( 1)Al 2 -Cl 3 135.4 338.2 143.0 337.7 7.7 53.7 158.5 9.1 6. BD ( 1)Al 2 -Cl 4 44.6 338.2 37.0 337.7 7.7 126.3 158.5 9.0 7. BD ( 1)Al 2 -Cl 6 90.0 95.8 90.0 99.1 3.3 -- -- -- 8. BD ( 1)Al 2 -Br 8 90.0 218.6 90.0 215.5 3.1 -- -- -- 67. LP ( 1)Cl 3 -- -- 180.0 0.0 -- -- -- -- 68. LP ( 2)Cl 3 -- -- 90.0 68.4 -- -- -- -- 69. LP ( 1)Cl 4 -- -- 0.0 0.0 -- -- -- -- 70. LP ( 2)Cl 4 -- -- 90.0 68.4 -- -- -- -- 71. LP ( 1)Cl 5 -- -- 90.0 275.4 -- -- -- -- 72. LP ( 2)Cl 5 -- -- 90.0 5.8 -- -- -- -- 73. LP ( 3)Cl 5 -- -- 0.0 0.0 -- -- -- -- 74. LP ( 1)Cl 6 -- -- 90.0 95.4 -- -- -- -- 75. LP ( 2)Cl 6 -- -- 90.0 185.8 -- -- -- -- 76. LP ( 3)Cl 6 -- -- 0.0 0.0 -- -- -- -- 78. LP ( 2)Br 7 -- -- 90.0 308.6 -- -- -- -- 79. LP ( 3)Br 7 -- -- 0.0 0.0 -- -- -- -- 81. LP ( 2)Br 8 -- -- 90.0 128.6 -- -- -- -- 82. LP ( 3)Br 8 -- -- 0.0 0.0 -- -- -- -- 167. BD*( 1)Al 1 -Cl 3 135.4 158.2 143.0 157.7 7.7 53.7 338.5 9.0 168. BD*( 1)Al 1 -Cl 4 44.6 158.2 37.0 157.7 7.7 126.3 338.5 9.1 171. BD*( 1)Al 2 -Cl 3 135.4 338.2 143.0 337.7 7.7 53.7 158.5 9.1 172. BD*( 1)Al 2 -Cl 4 44.6 338.2 37.0 337.7 7.7 126.3 158.5 9.0 Second Order Perturbation Theory Analysis of Fock Matrix in NBO Basis Threshold for printing: 0.50 kcal/mol E(2) E(j)-E(i) F(i,j) Donor NBO (i) Acceptor NBO (j) kcal/mol a.u. a.u. =================================================================================================== within unit 1 1. BD ( 1)Al 1 -Cl 3 / 84. RY*( 2)Al 1 0.52 1.06 0.021 1. BD ( 1)Al 1 -Cl 3 /168. BD*( 1)Al 1 -Cl 4 2.81 0.70 0.041 1. BD ( 1)Al 1 -Cl 3 /169. BD*( 1)Al 1 -Cl 5 1.20 0.78 0.028 1. BD ( 1)Al 1 -Cl 3 /170. BD*( 1)Al 1 -Br 7 1.03 0.75 0.025 1. BD ( 1)Al 1 -Cl 3 /171. BD*( 1)Al 2 -Cl 3 0.92 0.70 0.023 1. BD ( 1)Al 1 -Cl 3 /172. BD*( 1)Al 2 -Cl 4 2.29 0.70 0.037 1. BD ( 1)Al 1 -Cl 3 /173. BD*( 1)Al 2 -Cl 6 0.54 0.78 0.019 1. BD ( 1)Al 1 -Cl 3 /174. BD*( 1)Al 2 -Br 8 0.67 0.75 0.020 2. BD ( 1)Al 1 -Cl 4 / 84. RY*( 2)Al 1 0.52 1.06 0.021 2. BD ( 1)Al 1 -Cl 4 /167. BD*( 1)Al 1 -Cl 3 2.81 0.70 0.041 2. BD ( 1)Al 1 -Cl 4 /169. BD*( 1)Al 1 -Cl 5 1.20 0.78 0.028 2. BD ( 1)Al 1 -Cl 4 /170. BD*( 1)Al 1 -Br 7 1.03 0.75 0.025 2. BD ( 1)Al 1 -Cl 4 /171. BD*( 1)Al 2 -Cl 3 2.29 0.70 0.037 2. BD ( 1)Al 1 -Cl 4 /172. BD*( 1)Al 2 -Cl 4 0.92 0.70 0.023 2. BD ( 1)Al 1 -Cl 4 /173. BD*( 1)Al 2 -Cl 6 0.54 0.78 0.019 2. BD ( 1)Al 1 -Cl 4 /174. BD*( 1)Al 2 -Br 8 0.67 0.75 0.020 3. BD ( 1)Al 1 -Cl 5 / 83. RY*( 1)Al 1 0.50 1.12 0.021 3. BD ( 1)Al 1 -Cl 5 / 85. RY*( 3)Al 1 0.61 1.10 0.023 3. BD ( 1)Al 1 -Cl 5 /167. BD*( 1)Al 1 -Cl 3 1.90 0.75 0.035 3. BD ( 1)Al 1 -Cl 5 /168. BD*( 1)Al 1 -Cl 4 1.90 0.75 0.035 3. BD ( 1)Al 1 -Cl 5 /170. BD*( 1)Al 1 -Br 7 0.73 0.81 0.022 4. BD ( 1)Al 1 -Br 7 / 85. RY*( 3)Al 1 1.38 1.06 0.034 4. BD ( 1)Al 1 -Br 7 /167. BD*( 1)Al 1 -Cl 3 1.87 0.71 0.034 4. BD ( 1)Al 1 -Br 7 /168. BD*( 1)Al 1 -Cl 4 1.87 0.71 0.034 4. BD ( 1)Al 1 -Br 7 /169. BD*( 1)Al 1 -Cl 5 0.79 0.79 0.023 5. BD ( 1)Al 2 -Cl 3 / 94. RY*( 2)Al 2 0.52 1.06 0.021 5. BD ( 1)Al 2 -Cl 3 /167. BD*( 1)Al 1 -Cl 3 0.92 0.70 0.023 5. BD ( 1)Al 2 -Cl 3 /168. BD*( 1)Al 1 -Cl 4 2.29 0.70 0.037 5. BD ( 1)Al 2 -Cl 3 /169. BD*( 1)Al 1 -Cl 5 0.54 0.78 0.019 5. BD ( 1)Al 2 -Cl 3 /170. BD*( 1)Al 1 -Br 7 0.67 0.75 0.020 5. BD ( 1)Al 2 -Cl 3 /172. BD*( 1)Al 2 -Cl 4 2.81 0.70 0.041 5. BD ( 1)Al 2 -Cl 3 /173. BD*( 1)Al 2 -Cl 6 1.20 0.78 0.028 5. BD ( 1)Al 2 -Cl 3 /174. BD*( 1)Al 2 -Br 8 1.03 0.75 0.025 6. BD ( 1)Al 2 -Cl 4 / 94. RY*( 2)Al 2 0.52 1.06 0.021 6. BD ( 1)Al 2 -Cl 4 /167. BD*( 1)Al 1 -Cl 3 2.28 0.70 0.037 6. BD ( 1)Al 2 -Cl 4 /168. BD*( 1)Al 1 -Cl 4 0.92 0.70 0.023 6. BD ( 1)Al 2 -Cl 4 /169. BD*( 1)Al 1 -Cl 5 0.54 0.78 0.019 6. BD ( 1)Al 2 -Cl 4 /170. BD*( 1)Al 1 -Br 7 0.67 0.75 0.020 6. BD ( 1)Al 2 -Cl 4 /171. BD*( 1)Al 2 -Cl 3 2.81 0.70 0.041 6. BD ( 1)Al 2 -Cl 4 /173. BD*( 1)Al 2 -Cl 6 1.20 0.78 0.028 6. BD ( 1)Al 2 -Cl 4 /174. BD*( 1)Al 2 -Br 8 1.03 0.75 0.025 7. BD ( 1)Al 2 -Cl 6 / 93. RY*( 1)Al 2 0.50 1.12 0.021 7. BD ( 1)Al 2 -Cl 6 / 95. RY*( 3)Al 2 0.61 1.10 0.023 7. BD ( 1)Al 2 -Cl 6 /171. BD*( 1)Al 2 -Cl 3 1.90 0.75 0.035 7. BD ( 1)Al 2 -Cl 6 /172. BD*( 1)Al 2 -Cl 4 1.90 0.75 0.035 7. BD ( 1)Al 2 -Cl 6 /174. BD*( 1)Al 2 -Br 8 0.73 0.81 0.022 8. BD ( 1)Al 2 -Br 8 / 95. RY*( 3)Al 2 1.38 1.06 0.034 8. BD ( 1)Al 2 -Br 8 /171. BD*( 1)Al 2 -Cl 3 1.87 0.71 0.034 8. BD ( 1)Al 2 -Br 8 /172. BD*( 1)Al 2 -Cl 4 1.87 0.71 0.034 8. BD ( 1)Al 2 -Br 8 /173. BD*( 1)Al 2 -Cl 6 0.79 0.79 0.023 10. CR ( 2)Al 1 /171. BD*( 1)Al 2 -Cl 3 0.93 4.97 0.063 10. CR ( 2)Al 1 /172. BD*( 1)Al 2 -Cl 4 0.93 4.97 0.063 15. CR ( 2)Al 2 /167. BD*( 1)Al 1 -Cl 3 0.93 4.97 0.063 15. CR ( 2)Al 2 /168. BD*( 1)Al 1 -Cl 4 0.93 4.97 0.063 20. CR ( 2)Cl 3 / 84. RY*( 2)Al 1 0.74 10.68 0.080 20. CR ( 2)Cl 3 / 94. RY*( 2)Al 2 0.74 10.68 0.080 25. CR ( 2)Cl 4 / 84. RY*( 2)Al 1 0.74 10.68 0.080 25. CR ( 2)Cl 4 / 94. RY*( 2)Al 2 0.74 10.68 0.080 30. CR ( 2)Cl 5 / 83. RY*( 1)Al 1 1.02 10.60 0.093 30. CR ( 2)Cl 5 / 85. RY*( 3)Al 1 1.31 10.57 0.106 35. CR ( 2)Cl 6 / 93. RY*( 1)Al 2 1.02 10.60 0.093 35. CR ( 2)Cl 6 / 95. RY*( 3)Al 2 1.31 10.57 0.106 40. CR ( 2)Br 7 / 85. RY*( 3)Al 1 2.82 68.44 0.394 40. CR ( 2)Br 7 / 87. RY*( 5)Al 1 0.97 68.31 0.230 41. CR ( 3)Br 7 / 85. RY*( 3)Al 1 0.88 8.72 0.079 41. CR ( 3)Br 7 /169. BD*( 1)Al 1 -Cl 5 0.54 8.45 0.062 54. CR ( 2)Br 8 / 95. RY*( 3)Al 2 2.82 68.44 0.394 54. CR ( 2)Br 8 / 97. RY*( 5)Al 2 0.97 68.31 0.230 55. CR ( 3)Br 8 / 95. RY*( 3)Al 2 0.88 8.72 0.079 55. CR ( 3)Br 8 /173. BD*( 1)Al 2 -Cl 6 0.54 8.45 0.062 67. LP ( 1)Cl 3 / 83. RY*( 1)Al 1 0.51 1.21 0.022 67. LP ( 1)Cl 3 / 84. RY*( 2)Al 1 1.00 1.20 0.031 67. LP ( 1)Cl 3 / 93. RY*( 1)Al 2 0.51 1.21 0.022 67. LP ( 1)Cl 3 / 94. RY*( 2)Al 2 1.00 1.20 0.031 68. LP ( 2)Cl 3 /169. BD*( 1)Al 1 -Cl 5 2.80 0.51 0.034 68. LP ( 2)Cl 3 /170. BD*( 1)Al 1 -Br 7 2.64 0.48 0.032 68. LP ( 2)Cl 3 /173. BD*( 1)Al 2 -Cl 6 2.80 0.51 0.034 68. LP ( 2)Cl 3 /174. BD*( 1)Al 2 -Br 8 2.64 0.48 0.032 69. LP ( 1)Cl 4 / 83. RY*( 1)Al 1 0.51 1.21 0.022 69. LP ( 1)Cl 4 / 84. RY*( 2)Al 1 1.00 1.20 0.031 69. LP ( 1)Cl 4 / 93. RY*( 1)Al 2 0.51 1.21 0.022 69. LP ( 1)Cl 4 / 94. RY*( 2)Al 2 1.00 1.20 0.031 70. LP ( 2)Cl 4 /169. BD*( 1)Al 1 -Cl 5 2.80 0.51 0.034 70. LP ( 2)Cl 4 /170. BD*( 1)Al 1 -Br 7 2.64 0.48 0.032 70. LP ( 2)Cl 4 /173. BD*( 1)Al 2 -Cl 6 2.80 0.51 0.034 70. LP ( 2)Cl 4 /174. BD*( 1)Al 2 -Br 8 2.64 0.48 0.032 71. LP ( 1)Cl 5 / 83. RY*( 1)Al 1 1.21 1.29 0.035 71. LP ( 1)Cl 5 / 85. RY*( 3)Al 1 1.47 1.26 0.039 71. LP ( 1)Cl 5 / 87. RY*( 5)Al 1 0.54 1.14 0.022 71. LP ( 1)Cl 5 / 88. RY*( 6)Al 1 0.62 1.20 0.024 71. LP ( 1)Cl 5 /170. BD*( 1)Al 1 -Br 7 1.17 0.97 0.030 72. LP ( 2)Cl 5 / 83. RY*( 1)Al 1 1.57 0.74 0.031 72. LP ( 2)Cl 5 / 85. RY*( 3)Al 1 1.15 0.72 0.026 72. LP ( 2)Cl 5 / 87. RY*( 5)Al 1 0.58 0.59 0.017 72. LP ( 2)Cl 5 /167. BD*( 1)Al 1 -Cl 3 2.96 0.37 0.030 72. LP ( 2)Cl 5 /168. BD*( 1)Al 1 -Cl 4 2.96 0.37 0.030 72. LP ( 2)Cl 5 /170. BD*( 1)Al 1 -Br 7 6.40 0.43 0.047 73. LP ( 3)Cl 5 / 84. RY*( 2)Al 1 0.96 0.73 0.024 73. LP ( 3)Cl 5 / 86. RY*( 4)Al 1 2.11 0.76 0.036 73. LP ( 3)Cl 5 /167. BD*( 1)Al 1 -Cl 3 6.15 0.37 0.043 73. LP ( 3)Cl 5 /168. BD*( 1)Al 1 -Cl 4 6.15 0.37 0.043 74. LP ( 1)Cl 6 / 93. RY*( 1)Al 2 1.21 1.29 0.035 74. LP ( 1)Cl 6 / 95. RY*( 3)Al 2 1.47 1.26 0.039 74. LP ( 1)Cl 6 / 97. RY*( 5)Al 2 0.54 1.14 0.022 74. LP ( 1)Cl 6 / 98. RY*( 6)Al 2 0.62 1.20 0.024 74. LP ( 1)Cl 6 /174. BD*( 1)Al 2 -Br 8 1.17 0.97 0.030 75. LP ( 2)Cl 6 / 93. RY*( 1)Al 2 1.57 0.74 0.031 75. LP ( 2)Cl 6 / 95. RY*( 3)Al 2 1.15 0.72 0.026 75. LP ( 2)Cl 6 / 97. RY*( 5)Al 2 0.58 0.59 0.017 75. LP ( 2)Cl 6 /171. BD*( 1)Al 2 -Cl 3 2.96 0.37 0.030 75. LP ( 2)Cl 6 /172. BD*( 1)Al 2 -Cl 4 2.96 0.37 0.030 75. LP ( 2)Cl 6 /174. BD*( 1)Al 2 -Br 8 6.40 0.43 0.047 76. LP ( 3)Cl 6 / 94. RY*( 2)Al 2 0.96 0.73 0.024 76. LP ( 3)Cl 6 / 96. RY*( 4)Al 2 2.11 0.76 0.036 76. LP ( 3)Cl 6 /171. BD*( 1)Al 2 -Cl 3 6.15 0.37 0.043 76. LP ( 3)Cl 6 /172. BD*( 1)Al 2 -Cl 4 6.15 0.37 0.043 77. LP ( 1)Br 7 / 85. RY*( 3)Al 1 3.09 1.34 0.058 77. LP ( 1)Br 7 / 87. RY*( 5)Al 1 1.76 1.22 0.042 77. LP ( 1)Br 7 /169. BD*( 1)Al 1 -Cl 5 1.47 1.08 0.036 78. LP ( 2)Br 7 / 83. RY*( 1)Al 1 2.51 0.72 0.038 78. LP ( 2)Br 7 / 88. RY*( 6)Al 1 0.56 0.63 0.017 78. LP ( 2)Br 7 /167. BD*( 1)Al 1 -Cl 3 3.06 0.35 0.030 78. LP ( 2)Br 7 /168. BD*( 1)Al 1 -Cl 4 3.05 0.35 0.030 78. LP ( 2)Br 7 /169. BD*( 1)Al 1 -Cl 5 6.62 0.43 0.048 79. LP ( 3)Br 7 / 84. RY*( 2)Al 1 1.49 0.71 0.029 79. LP ( 3)Br 7 / 86. RY*( 4)Al 1 1.48 0.73 0.030 79. LP ( 3)Br 7 /167. BD*( 1)Al 1 -Cl 3 6.59 0.35 0.043 79. LP ( 3)Br 7 /168. BD*( 1)Al 1 -Cl 4 6.59 0.35 0.043 80. LP ( 1)Br 8 / 95. RY*( 3)Al 2 3.09 1.34 0.058 80. LP ( 1)Br 8 / 97. RY*( 5)Al 2 1.76 1.22 0.042 80. LP ( 1)Br 8 /173. BD*( 1)Al 2 -Cl 6 1.47 1.08 0.036 81. LP ( 2)Br 8 / 93. RY*( 1)Al 2 2.51 0.72 0.038 81. LP ( 2)Br 8 / 98. RY*( 6)Al 2 0.56 0.63 0.017 81. LP ( 2)Br 8 /171. BD*( 1)Al 2 -Cl 3 3.06 0.35 0.030 81. LP ( 2)Br 8 /172. BD*( 1)Al 2 -Cl 4 3.06 0.35 0.030 81. LP ( 2)Br 8 /173. BD*( 1)Al 2 -Cl 6 6.62 0.43 0.048 82. LP ( 3)Br 8 / 94. RY*( 2)Al 2 1.49 0.71 0.029 82. LP ( 3)Br 8 / 96. RY*( 4)Al 2 1.48 0.73 0.030 82. LP ( 3)Br 8 /171. BD*( 1)Al 2 -Cl 3 6.59 0.35 0.043 82. LP ( 3)Br 8 /172. BD*( 1)Al 2 -Cl 4 6.59 0.35 0.043 167. BD*( 1)Al 1 -Cl 3 / 83. RY*( 1)Al 1 1.29 0.37 0.069 167. BD*( 1)Al 1 -Cl 3 / 84. RY*( 2)Al 1 3.20 0.36 0.108 167. BD*( 1)Al 1 -Cl 3 /108. RY*( 6)Cl 3 0.71 0.56 0.068 167. BD*( 1)Al 1 -Cl 3 /169. BD*( 1)Al 1 -Cl 5 1.96 0.08 0.034 167. BD*( 1)Al 1 -Cl 3 /170. BD*( 1)Al 1 -Br 7 2.95 0.05 0.035 168. BD*( 1)Al 1 -Cl 4 / 83. RY*( 1)Al 1 1.29 0.37 0.069 168. BD*( 1)Al 1 -Cl 4 / 84. RY*( 2)Al 1 3.21 0.36 0.108 168. BD*( 1)Al 1 -Cl 4 /118. RY*( 6)Cl 4 0.71 0.56 0.068 168. BD*( 1)Al 1 -Cl 4 /169. BD*( 1)Al 1 -Cl 5 1.96 0.08 0.034 168. BD*( 1)Al 1 -Cl 4 /170. BD*( 1)Al 1 -Br 7 2.95 0.05 0.035 171. BD*( 1)Al 2 -Cl 3 / 93. RY*( 1)Al 2 1.29 0.37 0.069 171. BD*( 1)Al 2 -Cl 3 / 94. RY*( 2)Al 2 3.21 0.36 0.108 171. BD*( 1)Al 2 -Cl 3 /108. RY*( 6)Cl 3 0.71 0.56 0.068 171. BD*( 1)Al 2 -Cl 3 /173. BD*( 1)Al 2 -Cl 6 1.96 0.08 0.034 171. BD*( 1)Al 2 -Cl 3 /174. BD*( 1)Al 2 -Br 8 2.95 0.05 0.035 172. BD*( 1)Al 2 -Cl 4 / 93. RY*( 1)Al 2 1.29 0.37 0.069 172. BD*( 1)Al 2 -Cl 4 / 94. RY*( 2)Al 2 3.20 0.36 0.108 172. BD*( 1)Al 2 -Cl 4 /118. RY*( 6)Cl 4 0.71 0.56 0.068 172. BD*( 1)Al 2 -Cl 4 /173. BD*( 1)Al 2 -Cl 6 1.96 0.08 0.034 172. BD*( 1)Al 2 -Cl 4 /174. BD*( 1)Al 2 -Br 8 2.95 0.05 0.035 Natural Bond Orbitals (Summary): Principal Delocalizations NBO Occupancy Energy (geminal,vicinal,remote) ==================================================================================== Molecular unit 1 (Al2Cl4Br2) 1. BD ( 1)Al 1 -Cl 3 1.96833 -0.66267 168(g),172(v),169(g),170(g) 171(g),174(v),173(v),84(g) 2. BD ( 1)Al 1 -Cl 4 1.96833 -0.66263 167(g),171(v),169(g),170(g) 172(g),174(v),173(v),84(g) 3. BD ( 1)Al 1 -Cl 5 1.97667 -0.71730 168(g),167(g),170(g),85(g) 4. BD ( 1)Al 1 -Br 7 1.97138 -0.68012 168(g),167(g),85(g),169(g) 5. BD ( 1)Al 2 -Cl 3 1.96833 -0.66264 172(g),168(v),173(g),174(g) 167(g),170(v),169(v),94(g) 6. BD ( 1)Al 2 -Cl 4 1.96833 -0.66267 171(g),167(v),173(g),174(g) 168(g),170(v),169(v),94(g) 7. BD ( 1)Al 2 -Cl 6 1.97667 -0.71730 171(g),172(g),174(g),95(g) 8. BD ( 1)Al 2 -Br 8 1.97138 -0.68011 171(g),172(g),95(g),173(g) 9. CR ( 1)Al 1 2.00000 -55.45007 10. CR ( 2)Al 1 1.99946 -4.93120 171(v),172(v) 11. CR ( 3)Al 1 1.99993 -2.79760 12. CR ( 4)Al 1 1.99995 -2.79530 13. CR ( 5)Al 1 1.99991 -2.79957 14. CR ( 1)Al 2 2.00000 -55.45006 15. CR ( 2)Al 2 1.99946 -4.93120 168(v),167(v) 16. CR ( 3)Al 2 1.99993 -2.79760 17. CR ( 4)Al 2 1.99995 -2.79530 18. CR ( 5)Al 2 1.99991 -2.79957 19. CR ( 1)Cl 3 2.00000 -100.50930 20. CR ( 2)Cl 3 1.99979 -10.28498 94(v),84(v) 21. CR ( 3)Cl 3 1.99994 -7.27763 22. CR ( 4)Cl 3 1.99998 -7.27486 23. CR ( 5)Cl 3 1.99997 -7.27763 24. CR ( 1)Cl 4 2.00000 -100.50930 25. CR ( 2)Cl 4 1.99979 -10.28498 84(v),94(v) 26. CR ( 3)Cl 4 1.99994 -7.27763 27. CR ( 4)Cl 4 1.99998 -7.27486 28. CR ( 5)Cl 4 1.99997 -7.27763 29. CR ( 1)Cl 5 2.00000 -100.47886 30. CR ( 2)Cl 5 1.99978 -10.19450 85(v),83(v) 31. CR ( 3)Cl 5 1.99998 -7.22059 32. CR ( 4)Cl 5 1.99994 -7.22484 33. CR ( 5)Cl 5 1.99999 -7.22075 34. CR ( 1)Cl 6 2.00000 -100.47886 35. CR ( 2)Cl 6 1.99978 -10.19449 95(v),93(v) 36. CR ( 3)Cl 6 1.99998 -7.22059 37. CR ( 4)Cl 6 1.99994 -7.22484 38. CR ( 5)Cl 6 1.99999 -7.22075 39. CR ( 1)Br 7 2.00000 -476.57086 40. CR ( 2)Br 7 1.99992 -68.05610 85(v),87(v) 41. CR ( 3)Br 7 1.99979 -8.33577 85(v),169(v) 42. CR ( 4)Br 7 1.99999 -55.10688 43. CR ( 5)Br 7 1.99993 -7.84018 44. CR ( 6)Br 7 1.99999 -55.10642 45. CR ( 7)Br 7 1.99995 -7.83887 46. CR ( 8)Br 7 2.00000 -55.10572 47. CR ( 9)Br 7 1.99998 -7.83696 48. CR ( 10)Br 7 1.99996 -2.66369 49. CR ( 11)Br 7 1.99999 -2.66165 50. CR ( 12)Br 7 1.99999 -2.66035 51. CR ( 13)Br 7 1.99998 -2.66354 52. CR ( 14)Br 7 1.99998 -2.66021 53. CR ( 1)Br 8 2.00000 -476.57086 54. CR ( 2)Br 8 1.99992 -68.05610 95(v),97(v) 55. CR ( 3)Br 8 1.99979 -8.33576 95(v),173(v) 56. CR ( 4)Br 8 1.99999 -55.10688 57. CR ( 5)Br 8 1.99993 -7.84018 58. CR ( 6)Br 8 1.99999 -55.10642 59. CR ( 7)Br 8 1.99995 -7.83887 60. CR ( 8)Br 8 2.00000 -55.10572 61. CR ( 9)Br 8 1.99998 -7.83696 62. CR ( 10)Br 8 1.99996 -2.66368 63. CR ( 11)Br 8 1.99999 -2.66165 64. CR ( 12)Br 8 1.99999 -2.66035 65. CR ( 13)Br 8 1.99998 -2.66354 66. CR ( 14)Br 8 1.99998 -2.66021 67. LP ( 1)Cl 3 1.98250 -0.80533 94(v),84(v),83(v),93(v) 68. LP ( 2)Cl 3 1.95396 -0.39093 169(v),173(v),170(v),174(v) 69. LP ( 1)Cl 4 1.98250 -0.80534 84(v),94(v),93(v),83(v) 70. LP ( 2)Cl 4 1.95397 -0.39092 173(v),169(v),174(v),170(v) 71. LP ( 1)Cl 5 1.98410 -0.88306 85(v),83(v),170(v),88(v) 87(v) 72. LP ( 2)Cl 5 1.93307 -0.33694 170(v),167(v),168(v),83(v) 85(v),87(v) 73. LP ( 3)Cl 5 1.92680 -0.33834 168(v),167(v),86(v),84(v) 74. LP ( 1)Cl 6 1.98410 -0.88306 95(v),93(v),174(v),98(v) 97(v) 75. LP ( 2)Cl 6 1.93307 -0.33694 174(v),172(v),171(v),93(v) 95(v),97(v) 76. LP ( 3)Cl 6 1.92680 -0.33834 171(v),172(v),96(v),94(v) 77. LP ( 1)Br 7 1.98212 -0.96220 85(v),87(v),169(v) 78. LP ( 2)Br 7 1.92272 -0.31458 169(v),167(v),168(v),83(v) 88(v) 79. LP ( 3)Br 7 1.91480 -0.31594 168(v),167(v),84(v),86(v) 80. LP ( 1)Br 8 1.98212 -0.96220 95(v),97(v),173(v) 81. LP ( 2)Br 8 1.92272 -0.31458 173(v),172(v),171(v),93(v) 98(v) 82. LP ( 3)Br 8 1.91480 -0.31594 171(v),172(v),94(v),96(v) 83. RY*( 1)Al 1 0.02709 0.40578 84. RY*( 2)Al 1 0.02372 0.39453 85. RY*( 3)Al 1 0.01903 0.37925 86. RY*( 4)Al 1 0.00910 0.41706 87. RY*( 5)Al 1 0.00457 0.25773 88. RY*( 6)Al 1 0.00302 0.32035 89. RY*( 7)Al 1 0.00197 0.21718 90. RY*( 8)Al 1 0.00179 0.33204 91. RY*( 9)Al 1 0.00061 0.20383 92. RY*( 10)Al 1 0.00001 1.96724 93. RY*( 1)Al 2 0.02709 0.40578 94. RY*( 2)Al 2 0.02372 0.39454 95. RY*( 3)Al 2 0.01903 0.37926 96. RY*( 4)Al 2 0.00910 0.41706 97. RY*( 5)Al 2 0.00457 0.25773 98. RY*( 6)Al 2 0.00302 0.32036 99. RY*( 7)Al 2 0.00197 0.21718 100. RY*( 8)Al 2 0.00179 0.33203 101. RY*( 9)Al 2 0.00061 0.20383 102. RY*( 10)Al 2 0.00001 1.96724 103. RY*( 1)Cl 3 0.00039 0.76018 104. RY*( 2)Cl 3 0.00033 0.77204 105. RY*( 3)Cl 3 0.00028 0.82613 106. RY*( 4)Cl 3 0.00025 1.06070 107. RY*( 5)Cl 3 0.00018 0.78440 108. RY*( 6)Cl 3 0.00015 0.59396 109. RY*( 7)Cl 3 0.00015 0.63056 110. RY*( 8)Cl 3 0.00006 0.55225 111. RY*( 9)Cl 3 0.00002 0.88269 112. RY*( 10)Cl 3 0.00000 4.14546 113. RY*( 1)Cl 4 0.00039 0.76017 114. RY*( 2)Cl 4 0.00033 0.77205 115. RY*( 3)Cl 4 0.00028 0.82614 116. RY*( 4)Cl 4 0.00025 1.06069 117. RY*( 5)Cl 4 0.00018 0.78440 118. RY*( 6)Cl 4 0.00015 0.59398 119. RY*( 7)Cl 4 0.00015 0.63057 120. RY*( 8)Cl 4 0.00006 0.55224 121. RY*( 9)Cl 4 0.00002 0.88269 122. RY*( 10)Cl 4 0.00000 4.14546 123. RY*( 1)Cl 5 0.00026 0.79294 124. RY*( 2)Cl 5 0.00014 0.82248 125. RY*( 3)Cl 5 0.00012 0.61396 126. RY*( 4)Cl 5 0.00011 0.69501 127. RY*( 5)Cl 5 0.00007 0.79706 128. RY*( 6)Cl 5 0.00004 0.76162 129. RY*( 7)Cl 5 0.00002 0.85147 130. RY*( 8)Cl 5 0.00000 4.13083 131. RY*( 9)Cl 5 0.00001 0.85276 132. RY*( 10)Cl 5 0.00000 0.85317 133. RY*( 1)Cl 6 0.00026 0.79296 134. RY*( 2)Cl 6 0.00014 0.82251 135. RY*( 3)Cl 6 0.00012 0.61398 136. RY*( 4)Cl 6 0.00011 0.69495 137. RY*( 5)Cl 6 0.00007 0.79704 138. RY*( 6)Cl 6 0.00004 0.76168 139. RY*( 7)Cl 6 0.00002 0.85143 140. RY*( 8)Cl 6 0.00000 4.13085 141. RY*( 9)Cl 6 0.00001 0.85276 142. RY*( 10)Cl 6 0.00000 0.85317 143. RY*( 1)Br 7 0.00027 0.71075 144. RY*( 2)Br 7 0.00021 0.88247 145. RY*( 3)Br 7 0.00014 0.55268 146. RY*( 4)Br 7 0.00009 0.54537 147. RY*( 5)Br 7 0.00005 0.53831 148. RY*( 6)Br 7 0.00004 4.60593 149. RY*( 7)Br 7 0.00003 4.03389 150. RY*( 8)Br 7 0.00002 0.46877 151. RY*( 9)Br 7 0.00001 11.27441 152. RY*( 10)Br 7 0.00001 2.83943 153. RY*( 11)Br 7 0.00000 43.14889 154. RY*( 12)Br 7 0.00000 22.07471 155. RY*( 1)Br 8 0.00027 0.71077 156. RY*( 2)Br 8 0.00021 0.88245 157. RY*( 3)Br 8 0.00014 0.55268 158. RY*( 4)Br 8 0.00009 0.54536 159. RY*( 5)Br 8 0.00005 0.53832 160. RY*( 6)Br 8 0.00004 4.60797 161. RY*( 7)Br 8 0.00003 4.03195 162. RY*( 8)Br 8 0.00002 0.46877 163. RY*( 9)Br 8 0.00001 11.27353 164. RY*( 10)Br 8 0.00001 2.83868 165. RY*( 11)Br 8 0.00000 43.15038 166. RY*( 12)Br 8 0.00000 22.07476 167. BD*( 1)Al 1 -Cl 3 0.13494 0.03432 172(v),171(g),168(g),84(g) 170(g),169(g),83(g),108(g) 168. BD*( 1)Al 1 -Cl 4 0.13496 0.03429 172(g),167(g),171(v),84(g) 170(g),169(g),83(g),118(g) 169. BD*( 1)Al 1 -Cl 5 0.07995 0.11410 170. BD*( 1)Al 1 -Br 7 0.07293 0.08870 171. BD*( 1)Al 2 -Cl 3 0.13496 0.03429 167(g),172(g),168(v),94(g) 174(g),173(g),93(g),108(g) 172. BD*( 1)Al 2 -Cl 4 0.13494 0.03432 167(v),168(g),171(g),94(g) 174(g),173(g),93(g),118(g) 173. BD*( 1)Al 2 -Cl 6 0.07995 0.11410 174. BD*( 1)Al 2 -Br 8 0.07293 0.08870 ------------------------------- Total Lewis 162.96574 ( 99.3694%) Valence non-Lewis 0.84558 ( 0.5156%) Rydberg non-Lewis 0.18868 ( 0.1150%) ------------------------------- Total unit 1 164.00000 (100.0000%) Charge unit 1 0.00000 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 --- -7.5244 -1.6640 -0.0138 -0.0032 -0.0021 0.4723 Low frequencies --- 14.4634 51.8967 73.7916 Diagonal vibrational polarizability: 104.7472228 56.7017356 34.7439499 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 -- 14.4634 51.8967 73.7913 Red. masses -- 43.7690 46.6106 52.4873 Frc consts -- 0.0054 0.0740 0.1684 IR Inten -- 0.3018 0.0103 0.0000 Atom AN X Y Z X Y Z X Y Z 1 13 0.07 -0.11 0.00 0.00 0.00 0.15 0.20 0.15 0.00 2 13 0.07 -0.11 0.00 0.00 0.00 0.15 -0.20 -0.15 0.00 3 17 -0.04 -0.39 0.00 0.00 0.00 0.16 0.00 0.00 0.08 4 17 -0.04 -0.39 0.00 0.00 0.00 0.16 0.00 0.00 -0.08 5 17 0.47 -0.07 0.00 0.00 0.00 0.56 0.44 0.17 0.00 6 17 0.47 -0.07 0.00 0.00 0.00 0.56 -0.44 -0.17 0.00 7 35 -0.21 0.24 0.00 0.00 0.00 -0.37 0.44 -0.13 0.00 8 35 -0.21 0.24 0.00 0.00 0.00 -0.37 -0.44 0.13 0.00 4 5 6 A A A Frequencies -- 105.3051 115.7209 121.5200 Red. masses -- 39.0419 36.5282 34.9122 Frc consts -- 0.2551 0.2882 0.3038 IR Inten -- 0.0000 0.0000 7.0611 Atom AN X Y Z X Y Z X Y Z 1 13 -0.05 -0.29 0.00 0.00 0.00 0.09 0.00 0.00 0.33 2 13 0.05 0.29 0.00 0.00 0.00 -0.09 0.00 0.00 0.33 3 17 0.00 0.00 0.04 0.31 0.57 0.00 0.00 0.00 0.46 4 17 0.00 0.00 -0.04 -0.31 -0.57 0.00 0.00 0.00 0.46 5 17 0.54 -0.24 0.00 0.00 0.00 0.24 0.00 0.00 -0.40 6 17 -0.54 0.24 0.00 0.00 0.00 -0.24 0.00 0.00 -0.40 7 35 -0.20 -0.14 0.00 0.00 0.00 -0.14 0.00 0.00 -0.14 8 35 0.20 0.14 0.00 0.00 0.00 0.14 0.00 0.00 -0.14 7 8 9 A A A Frequencies -- 124.2384 159.7301 161.9240 Red. masses -- 37.6010 31.3079 38.9781 Frc consts -- 0.3419 0.4706 0.6021 IR Inten -- 11.7277 0.0000 6.9677 Atom AN X Y Z X Y Z X Y Z 1 13 0.25 -0.19 0.00 0.00 0.00 0.53 -0.04 -0.19 0.00 2 13 0.25 -0.19 0.00 0.00 0.00 -0.53 -0.03 -0.19 0.00 3 17 0.32 -0.07 0.00 0.33 -0.18 0.00 0.27 0.50 0.00 4 17 0.32 -0.07 0.00 -0.33 0.18 0.00 0.27 0.50 0.00 5 17 -0.42 -0.27 0.00 0.00 0.00 -0.27 0.25 -0.18 0.00 6 17 -0.42 -0.27 0.00 0.00 0.00 0.27 0.25 -0.18 0.00 7 35 -0.04 0.21 0.00 0.00 0.00 -0.09 -0.21 -0.08 0.00 8 35 -0.04 0.21 0.00 0.00 0.00 0.09 -0.21 -0.08 0.00 10 11 12 A A A Frequencies -- 194.8867 264.8073 285.9339 Red. masses -- 36.3050 31.0729 37.8653 Frc consts -- 0.8124 1.2838 1.8240 IR Inten -- 0.0000 0.0000 33.4625 Atom AN X Y Z X Y Z X Y Z 1 13 -0.32 0.29 0.00 0.00 0.00 -0.50 -0.08 0.19 0.00 2 13 0.32 -0.29 0.00 0.00 0.00 0.50 -0.08 0.19 0.00 3 17 0.00 0.00 -0.29 0.47 -0.19 0.00 0.47 -0.23 0.00 4 17 0.00 0.00 0.29 -0.47 0.19 0.00 0.47 -0.23 0.00 5 17 0.09 0.42 0.00 0.00 0.00 -0.04 -0.06 0.37 0.00 6 17 -0.09 -0.42 0.00 0.00 0.00 0.04 -0.06 0.37 0.00 7 35 -0.12 -0.18 0.00 0.00 0.00 -0.02 -0.16 -0.13 0.00 8 35 0.12 0.18 0.00 0.00 0.00 0.02 -0.16 -0.13 0.00 13 14 15 A A A Frequencies -- 310.0023 412.1573 430.5222 Red. masses -- 36.7221 29.3413 30.4800 Frc consts -- 2.0793 2.9367 3.3286 IR Inten -- 0.0000 137.4410 412.6879 Atom AN X Y Z X Y Z X Y Z 1 13 0.05 0.10 0.00 0.00 0.00 0.59 0.63 -0.07 0.00 2 13 -0.05 -0.10 0.00 0.00 0.00 0.59 0.63 -0.07 0.00 3 17 0.00 0.00 0.63 0.00 0.00 -0.38 -0.18 0.06 0.00 4 17 0.00 0.00 -0.63 0.00 0.00 -0.38 -0.18 0.06 0.00 5 17 -0.05 0.25 0.00 0.00 0.00 -0.04 -0.04 0.20 0.00 6 17 0.05 -0.25 0.00 0.00 0.00 -0.04 -0.04 0.20 0.00 7 35 -0.12 -0.09 0.00 0.00 0.00 -0.02 -0.12 -0.09 0.00 8 35 0.12 0.09 0.00 0.00 0.00 -0.02 -0.12 -0.09 0.00 16 17 18 A A A Frequencies -- 470.7356 577.5498 585.3156 Red. masses -- 29.8357 29.4260 29.3747 Frc consts -- 3.8953 5.7831 5.9293 IR Inten -- 0.0000 0.0000 306.7748 Atom AN X Y Z X Y Z X Y Z 1 13 0.65 -0.04 0.00 0.10 0.61 0.00 0.15 0.60 0.00 2 13 -0.65 0.04 0.00 -0.10 -0.61 0.00 0.15 0.60 0.00 3 17 0.00 0.00 -0.17 0.00 0.00 0.02 0.00 -0.02 0.00 4 17 0.00 0.00 0.17 0.00 0.00 -0.02 0.00 -0.02 0.00 5 17 -0.04 0.14 0.00 0.03 -0.34 0.00 0.03 -0.32 0.00 6 17 0.04 -0.14 0.00 -0.03 0.34 0.00 0.03 -0.32 0.00 7 35 -0.11 -0.08 0.00 -0.06 -0.05 0.00 -0.06 -0.05 0.00 8 35 0.11 0.08 0.00 0.06 0.05 0.00 -0.06 -0.05 0.00 ------------------- - Thermochemistry - ------------------- Temperature 298.150 Kelvin. Pressure 1.00000 Atm. Atom 1 has atomic number 13 and mass 26.98154 Atom 2 has atomic number 13 and mass 26.98154 Atom 3 has atomic number 17 and mass 34.96885 Atom 4 has atomic number 17 and mass 34.96885 Atom 5 has atomic number 17 and mass 34.96885 Atom 6 has atomic number 17 and mass 34.96885 Atom 7 has atomic number 35 and mass 78.91834 Atom 8 has atomic number 35 and mass 78.91834 Molecular mass: 351.67517 amu. Principal axes and moments of inertia in atomic units: 1 2 3 Eigenvalues -- 2885.285047759.331679309.75104 X 0.99967 -0.02570 0.00000 Y 0.02570 0.99967 0.00000 Z 0.00000 0.00000 1.00000 This molecule is an asymmetric top. Rotational symmetry number 1. Warning -- assumption of classical behavior for rotation may cause significant error Rotational temperatures (Kelvin) 0.03002 0.01116 0.00930 Rotational constants (GHZ): 0.62550 0.23259 0.19385 Zero-point vibrational energy 26679.7 (Joules/Mol) 6.37661 (Kcal/Mol) Warning -- explicit consideration of 18 degrees of freedom as vibrations may cause significant error Vibrational temperatures: 20.81 74.67 106.17 151.51 166.50 (Kelvin) 174.84 178.75 229.82 232.97 280.40 381.00 411.39 446.02 593.00 619.42 677.28 830.96 842.14 Zero-point correction= 0.010162 (Hartree/Particle) Thermal correction to Energy= 0.022632 Thermal correction to Enthalpy= 0.023576 Thermal correction to Gibbs Free Energy= -0.033962 Sum of electronic and zero-point Energies= -7469.527428 Sum of electronic and thermal Energies= -7469.514958 Sum of electronic and thermal Enthalpies= -7469.514014 Sum of electronic and thermal Free Energies= -7469.571552 E (Thermal) CV S KCal/Mol Cal/Mol-Kelvin Cal/Mol-Kelvin Total 14.202 36.658 121.099 Electronic 0.000 0.000 0.000 Translational 0.889 2.981 43.467 Rotational 0.889 2.981 33.699 Vibrational 12.424 30.696 43.933 Vibration 1 0.593 1.986 7.278 Vibration 2 0.596 1.977 4.744 Vibration 3 0.599 1.966 4.050 Vibration 4 0.605 1.945 3.354 Vibration 5 0.608 1.936 3.171 Vibration 6 0.609 1.931 3.076 Vibration 7 0.610 1.929 3.033 Vibration 8 0.622 1.892 2.553 Vibration 9 0.622 1.889 2.527 Vibration 10 0.636 1.847 2.181 Vibration 11 0.671 1.738 1.630 Vibration 12 0.684 1.700 1.498 Vibration 13 0.699 1.655 1.362 Vibration 14 0.776 1.444 0.919 Vibration 15 0.792 1.404 0.857 Vibration 16 0.828 1.315 0.735 Vibration 17 0.934 1.080 0.490 Vibration 18 0.942 1.063 0.476 Q Log10(Q) Ln(Q) Total Bot 0.418037D+16 15.621215 35.969176 Total V=0 0.197376D+21 20.295294 46.731641 Vib (Bot) 0.312051D+01 0.494225 1.137995 Vib (Bot) 1 0.143246D+02 1.156084 2.661981 Vib (Bot) 2 0.398261D+01 0.600167 1.381936 Vib (Bot) 3 0.279347D+01 0.446145 1.027286 Vib (Bot) 4 0.194684D+01 0.289330 0.666206 Vib (Bot) 5 0.176767D+01 0.247402 0.569663 Vib (Bot) 6 0.168108D+01 0.225589 0.519438 Vib (Bot) 7 0.164324D+01 0.215701 0.496670 Vib (Bot) 8 0.126578D+01 0.102357 0.235685 Vib (Bot) 9 0.124778D+01 0.096138 0.221365 Vib (Bot) 10 0.102511D+01 0.010771 0.024802 Vib (Bot) 11 0.731736D+00 -0.135645 -0.312335 Vib (Bot) 12 0.670277D+00 -0.173746 -0.400064 Vib (Bot) 13 0.609972D+00 -0.214690 -0.494343 Vib (Bot) 14 0.428565D+00 -0.367983 -0.847312 Vib (Bot) 15 0.404550D+00 -0.393028 -0.904980 Vib (Bot) 16 0.358098D+00 -0.445998 -1.026947 Vib (Bot) 17 0.264490D+00 -0.577591 -1.329953 Vib (Bot) 18 0.258955D+00 -0.586776 -1.351103 Vib (V=0) 0.147334D+06 5.168304 11.900460 Vib (V=0) 1 0.148334D+02 1.171240 2.696879 Vib (V=0) 2 0.451387D+01 0.654549 1.507155 Vib (V=0) 3 0.333787D+01 0.523469 1.205333 Vib (V=0) 4 0.251002D+01 0.399677 0.920290 Vib (V=0) 5 0.233703D+01 0.368663 0.848879 Vib (V=0) 6 0.225386D+01 0.352928 0.812646 Vib (V=0) 7 0.221763D+01 0.345888 0.796437 Vib (V=0) 8 0.186095D+01 0.269735 0.621087 Vib (V=0) 9 0.184423D+01 0.265815 0.612061 Vib (V=0) 10 0.164055D+01 0.214989 0.495031 Vib (V=0) 11 0.138625D+01 0.141841 0.326602 Vib (V=0) 12 0.133622D+01 0.125879 0.289848 Vib (V=0) 13 0.128871D+01 0.110156 0.253643 Vib (V=0) 14 0.115853D+01 0.063909 0.147156 Vib (V=0) 15 0.114316D+01 0.058109 0.133800 Vib (V=0) 16 0.111501D+01 0.047278 0.108861 Vib (V=0) 17 0.106565D+01 0.027613 0.063581 Vib (V=0) 18 0.106308D+01 0.026565 0.061169 Electronic 0.100000D+01 0.000000 0.000000 Translational 0.259220D+09 8.413668 19.373186 Rotational 0.516799D+07 6.713322 15.457995 ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 13 0.000007142 -0.000002807 -0.000008933 2 13 -0.000003296 0.000001304 0.000008641 3 17 -0.000004994 0.000010827 0.000000265 4 17 0.000001183 -0.000009335 0.000000113 5 17 -0.000001282 -0.000001135 -0.000003309 6 17 0.000001162 0.000001131 0.000003272 7 35 0.000000402 0.000000398 -0.000004811 8 35 -0.000000317 -0.000000383 0.000004761 ------------------------------------------------------------------- Cartesian Forces: Max 0.000010827 RMS 0.000004701 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Internal Forces: Max 0.000007408 RMS 0.000003584 Search for a local minimum. Step number 1 out of a maximum of 2 All quantities printed in internal units (Hartrees-Bohrs-Radians) Second derivative matrix not updated -- analytic derivatives used. ITU= 0 Eigenvalues --- 0.00144 0.02966 0.03556 0.04143 0.04237 Eigenvalues --- 0.05009 0.05912 0.06687 0.07356 0.07783 Eigenvalues --- 0.08651 0.09664 0.09741 0.12116 0.15745 Eigenvalues --- 0.15900 0.17392 0.17553 Angle between quadratic step and forces= 45.87 degrees. Linear search not attempted -- first point. Iteration 1 RMS(Cart)= 0.00012651 RMS(Int)= 0.00000001 Iteration 2 RMS(Cart)= 0.00000001 RMS(Int)= 0.00000000 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 4.34131 0.00001 0.00000 0.00013 0.00013 4.34143 R2 4.34152 0.00000 0.00000 -0.00009 -0.00009 4.34143 R3 3.96224 0.00000 0.00000 0.00001 0.00001 3.96226 R4 4.21169 0.00000 0.00000 0.00000 0.00000 4.21169 R5 4.34148 0.00000 0.00000 -0.00004 -0.00004 4.34143 R6 4.34132 0.00001 0.00000 0.00011 0.00011 4.34143 R7 3.96224 0.00000 0.00000 0.00001 0.00001 3.96226 R8 4.21169 0.00000 0.00000 0.00000 0.00000 4.21169 A1 1.58346 0.00001 0.00000 0.00006 0.00006 1.58352 A2 1.90183 0.00000 0.00000 -0.00010 -0.00010 1.90173 A3 1.92625 0.00000 0.00000 0.00004 0.00004 1.92628 A4 1.90178 0.00000 0.00000 -0.00005 -0.00005 1.90173 A5 1.92620 0.00000 0.00000 0.00008 0.00008 1.92628 A6 2.14256 0.00000 0.00000 -0.00001 -0.00001 2.14255 A7 1.58346 0.00001 0.00000 0.00005 0.00005 1.58352 A8 1.90179 0.00000 0.00000 -0.00006 -0.00006 1.90173 A9 1.92620 0.00000 0.00000 0.00008 0.00008 1.92628 A10 1.90183 0.00000 0.00000 -0.00010 -0.00010 1.90173 A11 1.92624 0.00000 0.00000 0.00004 0.00004 1.92628 A12 2.14256 0.00000 0.00000 -0.00001 -0.00001 2.14255 A13 1.55814 -0.00001 0.00000 -0.00006 -0.00006 1.55808 A14 1.55813 -0.00001 0.00000 -0.00005 -0.00005 1.55808 D1 -0.00008 0.00000 0.00000 0.00008 0.00008 0.00000 D2 1.92617 0.00000 0.00000 0.00003 0.00003 1.92620 D3 -1.95625 0.00000 0.00000 -0.00004 -0.00004 -1.95628 D4 0.00008 0.00000 0.00000 -0.00008 -0.00008 0.00000 D5 -1.92621 0.00000 0.00000 0.00001 0.00001 -1.92620 D6 1.95629 0.00000 0.00000 0.00000 0.00000 1.95628 D7 0.00008 0.00000 0.00000 -0.00008 -0.00008 0.00000 D8 1.92637 0.00000 0.00000 -0.00017 -0.00017 1.92620 D9 -1.95613 0.00000 0.00000 -0.00016 -0.00016 -1.95628 D10 -0.00008 0.00000 0.00000 0.00008 0.00008 0.00000 D11 -1.92633 0.00000 0.00000 0.00013 0.00013 -1.92620 D12 1.95609 0.00000 0.00000 0.00020 0.00020 1.95628 Item Value Threshold Converged? Maximum Force 0.000007 0.000450 YES RMS Force 0.000004 0.000300 YES Maximum Displacement 0.000310 0.001800 YES RMS Displacement 0.000127 0.001200 YES Predicted change in Energy=-3.506678D-09 Optimization completed. -- Stationary point found. ---------------------------- ! Optimized Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,3) 2.2973 -DE/DX = 0.0 ! ! R2 R(1,4) 2.2974 -DE/DX = 0.0 ! ! R3 R(1,5) 2.0967 -DE/DX = 0.0 ! ! R4 R(1,7) 2.2287 -DE/DX = 0.0 ! ! R5 R(2,3) 2.2974 -DE/DX = 0.0 ! ! R6 R(2,4) 2.2973 -DE/DX = 0.0 ! ! R7 R(2,6) 2.0967 -DE/DX = 0.0 ! ! R8 R(2,8) 2.2287 -DE/DX = 0.0 ! ! A1 A(3,1,4) 90.7254 -DE/DX = 0.0 ! ! A2 A(3,1,5) 108.9668 -DE/DX = 0.0 ! ! A3 A(3,1,7) 110.3657 -DE/DX = 0.0 ! ! A4 A(4,1,5) 108.9641 -DE/DX = 0.0 ! ! A5 A(4,1,7) 110.3634 -DE/DX = 0.0 ! ! A6 A(5,1,7) 122.7597 -DE/DX = 0.0 ! ! A7 A(3,2,4) 90.7258 -DE/DX = 0.0 ! ! A8 A(3,2,6) 108.9644 -DE/DX = 0.0 ! ! A9 A(3,2,8) 110.3631 -DE/DX = 0.0 ! ! A10 A(4,2,6) 108.9667 -DE/DX = 0.0 ! ! A11 A(4,2,8) 110.3655 -DE/DX = 0.0 ! ! A12 A(6,2,8) 122.7597 -DE/DX = 0.0 ! ! A13 A(1,3,2) 89.2748 -DE/DX = 0.0 ! ! A14 A(1,4,2) 89.274 -DE/DX = 0.0 ! ! D1 D(4,1,3,2) -0.0046 -DE/DX = 0.0 ! ! D2 D(5,1,3,2) 110.3611 -DE/DX = 0.0 ! ! D3 D(7,1,3,2) -112.0848 -DE/DX = 0.0 ! ! D4 D(3,1,4,2) 0.0046 -DE/DX = 0.0 ! ! D5 D(5,1,4,2) -110.3637 -DE/DX = 0.0 ! ! D6 D(7,1,4,2) 112.087 -DE/DX = 0.0 ! ! D7 D(4,2,3,1) 0.0046 -DE/DX = 0.0 ! ! D8 D(6,2,3,1) 110.3729 -DE/DX = 0.0 ! ! D9 D(8,2,3,1) -112.0777 -DE/DX = 0.0 ! ! D10 D(3,2,4,1) -0.0046 -DE/DX = 0.0 ! ! D11 D(6,2,4,1) -110.3708 -DE/DX = 0.0 ! ! D12 D(8,2,4,1) 112.0755 -DE/DX = 0.0 ! -------------------------------------------------------------------------------- GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad 1|1| IMPERIAL COLLEGE-SKCH-135-031|Freq|RB3LYP|6-31G(d,p)|Al2Br2Cl4|MT 217|02-May-2019|0||#N Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3 LYP/6-31G(d,p) Freq||Title Card Required||0,1|Al,-1.1931233879,-0.0205 95029,0.8939296487|Al,1.0894202434,2.2621831063,0.9270663701|Cl,-1.207 8831672,2.2766203073,0.9102563946|Cl,1.1042066056,-0.0350385418,0.9105 562473|Cl,-1.8923170695,-0.7197392336,2.7428732146|Cl,1.7887725536,2.9 614809532,-0.9217601084|Br,-1.9594226752,-0.7873375218,-1.0534082329|B r,1.8555518971,3.0287698295,2.874532236||Version=EM64W-G09RevD.01|Stat e=1-A|HF=-7469.53759|RMSD=8.876e-010|RMSF=4.701e-006|ZeroPoint=0.01016 18|Thermal=0.0226321|Dipole=-0.0000585,-0.0000178,-0.0000595|DipoleDer iv=1.7212213,0.4817899,0.0696739,0.4817917,1.721398,0.0697646,0.045700 3,0.0457891,1.8760849,1.7212068,0.4817804,0.0696493,0.4817828,1.721395 1,0.0697448,0.0457034,0.0457968,1.8761049,-0.9058122,-0.2138169,-0.050 6746,-0.2138064,-0.9058817,-0.0505942,-0.0305014,-0.0304194,-0.3128989 ,-0.9058152,-0.2138048,-0.0506341,-0.2138001,-0.9058864,-0.0506327,-0. 0304619,-0.0304587,-0.3129031,-0.4471446,-0.1357644,0.1521983,-0.13576 05,-0.4471505,0.1521718,0.2207122,0.2206863,-0.848104,-0.4471743,-0.13 57939,0.1522311,-0.13579,-0.4471823,0.1522037,0.2207395,0.2207144,-0.8 480586,-0.3682567,-0.1322108,-0.1712366,-0.1322242,-0.3683596,-0.17134 17,-0.2359569,-0.2360628,-0.7150842,-0.368225,-0.1321795,-0.1712074,-0 .1321933,-0.3683326,-0.1713163,-0.235935,-0.2360457,-0.7151409|Polar=1 05.6569126,18.486845,105.6641224,4.1182086,4.1233728,121.5137029|PG=C0 1 [X(Al2Br2Cl4)]|NImag=0||0.11786558,0.03855470,0.11792389,-0.00196443 ,-0.00194316,0.25207278,0.00669869,-0.02947353,-0.00034342,0.11787507, -0.02947333,0.00668990,-0.00034725,0.03855442,0.11792124,-0.00034447,- 0.00034835,0.00597315,-0.00197423,-0.00195212,0.25207214,-0.01765163,0 .01245668,0.00010044,-0.05611872,0.00245380,-0.00060589,0.08823778,0.0 0245862,-0.05614725,-0.00059560,0.01245130,-0.01764997,0.00010448,-0.0 1728238,0.08826342,-0.00019198,-0.00040458,-0.00895619,-0.00041674,-0. 00018950,-0.00895694,0.00051499,0.00049719,0.01746618,-0.05611038,0.00 245362,-0.00060169,-0.01765197,0.01245705,0.00010178,-0.00624613,0.013 67334,-0.00006325,0.08822943,0.01245103,-0.01765054,0.00010311,0.00245 927,-0.05614427,-0.00059968,0.01367333,-0.00624058,-0.00006053,-0.0172 8304,0.08826113,-0.00041188,-0.00019062,-0.00895739,-0.00019086,-0.000 40933,-0.00895673,-0.00006354,-0.00006024,0.00334869,0.00050816,0.0005 0378,0.01746702,-0.02529913,-0.01610230,0.04274128,-0.00076730,0.00388 037,-0.00004890,0.00190710,-0.00144234,0.00102102,-0.00608601,-0.00443 643,0.00529995,0.02781389,-0.01610219,-0.02529744,0.04273786,0.0038801 7,-0.00076621,-0.00004849,-0.00443569,-0.00608593,0.00530094,-0.001443 41,0.00190627,0.00102124,0.01960781,0.02781238,0.04137566,0.04137275,- 0.12504900,-0.00193837,-0.00193830,-0.00153273,0.00233972,0.00372723,- 0.00054782,0.00372647,0.00233930,-0.00054701,-0.04743960,-0.04743609,0 .13471888,-0.00076723,0.00388067,-0.00004900,-0.02530634,-0.01610918,0 .04274819,-0.00608663,-0.00443729,0.00529953,0.00190681,-0.00144278,0. 00102093,0.00002717,-0.00065941,0.00041584,0.02782200,0.00388038,-0.00 076612,-0.00004863,-0.01610916,-0.02530428,0.04274451,-0.00144393,0.00 190593,0.00102126,-0.00443633,-0.00608653,0.00530038,-0.00065940,0.000 02704,0.00041580,0.01961581,0.02782014,-0.00193790,-0.00193786,-0.0015 3211,0.04138270,0.04137930,-0.12503414,0.00372580,0.00233911,-0.000546 29,0.00233942,0.00372661,-0.00054704,0.00041573,0.00041570,-0.00004794 ,-0.04744690,-0.04744299,0.13470228,-0.02402052,-0.01545439,-0.0399588 5,-0.00071526,0.00368473,0.00007581,0.00194199,-0.00129866,-0.00090791 ,-0.00598411,-0.00412316,-0.00525490,0.00242998,-0.00024237,0.00113622 ,-0.00002579,-0.00060509,0.00038407,0.02631476,-0.01545400,-0.02403868 ,-0.03998232,0.00368505,-0.00071372,0.00007610,-0.00412174,-0.00598633 ,-0.00525553,-0.00130035,0.00194040,-0.00090912,-0.00024271,0.00242979 ,0.00113509,-0.00060518,-0.00002600,0.00038421,0.01867713,0.02633591,- 0.03859725,-0.03862114,-0.11209496,0.00207192,0.00207256,-0.00145576,- 0.00234540,-0.00366519,-0.00090309,-0.00366541,-0.00234672,-0.00090369 ,-0.00161208,-0.00161375,-0.00797929,-0.00037737,-0.00037738,0.0009846 3,0.04489856,0.04492472,0.12241752,-0.00071537,0.00368456,0.00007568,- 0.02401416,-0.01544786,-0.03995229,-0.00598375,-0.00412259,-0.00525566 ,0.00194237,-0.00129822,-0.00090787,-0.00002569,-0.00060492,0.00038407 ,0.00243003,-0.00024228,0.00113708,0.00005895,-0.00063820,-0.00037296, 0.02630762,0.00368479,-0.00071376,0.00007599,-0.01544753,-0.02403269,- 0.03997644,-0.00130007,0.00194072,-0.00090924,-0.00412087,-0.00598588, -0.00525609,-0.00060501,-0.00002590,0.00038421,-0.00024263,0.00242983, 0.00113592,-0.00063819,0.00005863,-0.00037310,0.01866951,0.02632906,0. 00207226,0.00207297,-0.00145627,-0.03859100,-0.03861536,-0.11210898,-0 .00366611,-0.00234698,-0.00090453,-0.00234547,-0.00366586,-0.00090384, -0.00037740,-0.00037741,0.00098491,-0.00161121,-0.00161295,-0.00797940 ,-0.00037301,-0.00037315,-0.00006535,0.04489195,0.04491875,0.12243348| |-0.00000714,0.00000281,0.00000893,0.00000330,-0.00000130,-0.00000864, 0.00000499,-0.00001083,-0.00000026,-0.00000118,0.00000934,-0.00000011, 0.00000128,0.00000113,0.00000331,-0.00000116,-0.00000113,-0.00000327,- 0.00000040,-0.00000040,0.00000481,0.00000032,0.00000038,-0.00000476||| @ FROM WHENCE IT HAPPENS, THAT THEY WHICH TRUST TO BOOKS, DO AS THEY THAT CAST UP MANY LITTLE SUMMS INTO GREATER, WITHOUT CONSIDERING WETHER THOSE LITTLE SUMMES WERE RIGHTLY CAST UP OR NOT... AND AT LAST FINDING THE ERROUR VISIBLE, AND NOT MISTRUSTING THEIR FIRST GROUNDS, KNOW NOT WHICH WAY TO CLEERE THEMSELVES... BUT SPEND TIME IN FLUTTERING OVER THEIR BOOKES.... AS BIRDS THAT ENTERING BY THE CHIMNEY, AND FINDING THEMSELVES INCLOSED IN A CHAMBER, FLUTTER AT THE FALSE LIGHT OF A GLASSE WINDOW, FOR WANT OF WIT TO CONSIDER WHICH WAY THEY CAME IN.... LEVIATHAN Job cpu time: 0 days 0 hours 1 minutes 31.0 seconds. File lengths (MBytes): RWF= 47 Int= 0 D2E= 0 Chk= 3 Scr= 1 Normal termination of Gaussian 09 at Thu May 02 16:59:49 2019.