Entering Gaussian System, Link 0=g03 Initial command: /apps/gaussian/g09_d01/g09/l1.exe "/home/scan-user-1/run/83960/Gau-10168.inp" -scrdir="/home/scan-user-1/run/83960/" Entering Link 1 = /apps/gaussian/g09_d01/g09/l1.exe PID= 10169. 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: ES64L-G09RevD.01 24-Apr-2013 21-Nov-2013 ****************************************** %nprocshared=8 Will use up to 8 processors via shared memory. %mem=13000MB %NoSave %Chk=chk.chk %rwf=/tmp/pbs.5800528.cx1b/rwf ---------------------------------------------------------------------- # rob3lyp/6-31g(d,p) nosymm pop=(nbo,full) geom=connectivity int=ultra fine scf=conver=9 ---------------------------------------------------------------------- 1/38=1,57=2/1; 2/12=2,15=1,17=6,18=5,40=1/2; 3/5=1,6=6,7=101,11=2,16=1,25=1,30=1,74=-5,75=-5,116=101/1,2,3; 4//1; 5/5=2,6=9,38=5/2; 6/7=3,28=1,40=1/1,7; 99/5=1,9=1/99; ----------- B6H6 energy ----------- Symbolic Z-matrix: Charge = -2 Multiplicity = 1 H -1.14093 -0.57503 0.7635 H 2.30929 -0.61135 1.01426 H 2.29524 2.77975 1.69884 H -1.15499 2.81607 1.44806 B 0.48744 0.85988 2.43052 B 1.43885 1.94363 1.46569 B -0.29158 1.96186 1.33996 B 1.44589 0.24286 1.12238 B -0.28454 0.26109 0.99662 B 0.66686 1.34484 0.03181 H 0.75604 1.58582 -1.16017 H 0.39826 0.6189 3.6225 Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 1 0 -1.140934 -0.575033 0.763504 2 1 0 2.309294 -0.611353 1.014261 3 1 0 2.295238 2.779746 1.698837 4 1 0 -1.154992 2.816074 1.448058 5 5 0 0.487440 0.859879 2.430521 6 5 0 1.438847 1.943633 1.465693 7 5 0 -0.291583 1.961857 1.339959 8 5 0 1.445887 0.242863 1.122383 9 5 0 -0.284544 0.261090 0.996623 10 5 0 0.666860 1.344836 0.031807 11 1 0 0.756040 1.585824 -1.160171 12 1 0 0.398264 0.618897 3.622501 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 H 0.000000 2 H 3.459518 0.000000 3 H 4.892512 3.459538 0.000000 4 H 3.459540 4.892516 3.459523 0.000000 5 B 2.736699 2.736689 2.736674 2.736698 0.000000 6 B 3.673148 2.736682 1.219364 2.736688 1.735105 7 B 2.736697 3.673153 2.736673 1.219363 1.735096 8 B 2.736674 1.219363 2.736691 3.673153 1.735095 9 B 1.219364 2.736688 3.673148 2.736680 1.735100 10 B 2.736676 2.736692 2.736708 2.736686 2.453814 11 H 3.459528 3.459530 3.459554 3.459540 3.673175 12 H 3.459546 3.459546 3.459518 3.459537 1.219361 6 7 8 9 10 6 B 0.000000 7 B 1.735087 0.000000 8 B 1.735089 2.453789 0.000000 9 B 2.453784 1.735090 1.735090 0.000000 10 B 1.735093 1.735105 1.735103 1.735093 0.000000 11 H 2.736679 2.736707 2.736693 2.736695 1.219361 12 H 2.736706 2.736682 2.736696 2.736692 3.673175 11 12 11 H 0.000000 12 H 4.892535 0.000000 Symmetry turned off by external request. Stoichiometry B6H6(2-) Framework group C1[X(B6H6)] Deg. of freedom 30 Full point group C1 NOp 1 Rotational constants (GHZ): 5.5897481 5.5897025 5.5896880 Standard basis: 6-31G(d,p) (6D, 7F) 120 basis functions, 210 primitive gaussians, 120 cartesian basis functions 19 alpha electrons 19 beta electrons nuclear repulsion energy 150.3746309700 Hartrees. NAtoms= 12 NActive= 12 NUniq= 12 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 off. One-electron integrals computed using PRISM. NBasis= 120 RedAO= T EigKep= 5.07D-04 NBF= 120 NBsUse= 120 1.00D-06 EigRej= -1.00D+00 NBFU= 120 ExpMin= 1.27D-01 ExpMax= 2.07D+03 ExpMxC= 3.11D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 402 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 402 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Keep R1 and R2 ints in memory in canonical form, NReq=53724680. Requested convergence on RMS density matrix=1.00D-09 within 128 cycles. Requested convergence on MAX density matrix=1.00D-07. Requested convergence on energy=1.00D-07. 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(ROB3LYP) = -152.657654751 A.U. after 12 cycles NFock= 12 Conv=0.25D-09 -V/T= 2.0095 = 0.0000 = 0.0000 = 0.0000 = 0.0000 S= 0.0000 = 0.000000000000E+00 Annihilation of the first spin contaminant: S**2 before annihilation 0.0000, after 0.0000 ********************************************************************** Population analysis using the SCF density. ********************************************************************** Alpha occ. eigenvalues -- -6.31499 -6.31436 -6.31436 -6.31436 -6.31403 Alpha occ. eigenvalues -- -6.31402 -0.31228 -0.08046 -0.08046 -0.08046 Alpha occ. eigenvalues -- -0.02657 -0.00404 -0.00404 0.08872 0.08872 Alpha occ. eigenvalues -- 0.08872 0.16377 0.16377 0.16377 Alpha virt. eigenvalues -- 0.46037 0.46037 0.46037 0.46812 0.51823 Alpha virt. eigenvalues -- 0.51823 0.51823 0.53732 0.53732 0.58762 Alpha virt. eigenvalues -- 0.58762 0.58762 0.63311 0.63311 0.63312 Alpha virt. eigenvalues -- 0.73136 0.75035 0.75035 0.75035 0.85634 Alpha virt. eigenvalues -- 0.85634 0.87265 0.87265 0.87265 0.89529 Alpha virt. eigenvalues -- 0.89529 0.89530 0.90470 0.90471 1.02132 Alpha virt. eigenvalues -- 1.02133 1.02133 1.12306 1.15622 1.15622 Alpha virt. eigenvalues -- 1.15622 1.22289 1.22289 1.22290 1.25014 Alpha virt. eigenvalues -- 1.33908 1.33908 1.56032 1.56033 1.56033 Alpha virt. eigenvalues -- 1.58825 1.58826 1.67917 1.75931 1.75931 Alpha virt. eigenvalues -- 1.75932 1.76366 1.76367 1.76367 2.00272 Alpha virt. eigenvalues -- 2.00272 2.00272 2.04875 2.04875 2.04875 Alpha virt. eigenvalues -- 2.11688 2.11689 2.28598 2.28598 2.40997 Alpha virt. eigenvalues -- 2.40997 2.40997 2.41416 2.41416 2.41417 Alpha virt. eigenvalues -- 2.48101 2.48552 2.48553 2.48553 2.64941 Alpha virt. eigenvalues -- 2.64941 2.65871 2.65871 2.65871 2.71908 Alpha virt. eigenvalues -- 2.85781 2.85782 2.85782 2.87609 2.87609 Alpha virt. eigenvalues -- 2.87609 3.08089 3.08089 3.08089 3.37759 Alpha virt. eigenvalues -- 3.46691 3.46691 3.46691 3.68729 3.68729 Alpha virt. eigenvalues -- 4.25387 4.25388 4.25388 4.39534 4.43936 Alpha virt. eigenvalues -- 4.43937 Molecular Orbital Coefficients: 1 2 3 4 5 O O O O O Eigenvalues -- -6.31499 -6.31436 -6.31436 -6.31436 -6.31403 1 1 H 1S -0.00070 0.00000 0.00000 0.00057 0.00018 2 2S -0.00274 0.00000 0.00000 0.00108 0.00228 3 3PX -0.00025 -0.00002 0.00017 0.00013 0.00009 4 3PY -0.00025 -0.00005 -0.00017 0.00013 0.00009 5 3PZ -0.00007 0.00024 -0.00002 0.00004 0.00002 6 2 H 1S -0.00070 0.00000 0.00057 0.00000 0.00025 7 2S -0.00274 0.00000 0.00108 0.00000 0.00318 8 3PX 0.00026 -0.00002 -0.00013 -0.00017 -0.00012 9 3PY -0.00025 -0.00005 0.00013 -0.00017 0.00012 10 3PZ -0.00003 0.00024 0.00002 -0.00005 0.00002 11 3 H 1S -0.00070 0.00000 0.00000 -0.00057 0.00018 12 2S -0.00274 0.00000 0.00000 -0.00108 0.00228 13 3PX 0.00025 -0.00002 0.00017 0.00013 -0.00009 14 3PY 0.00025 -0.00005 -0.00017 0.00013 -0.00009 15 3PZ 0.00007 0.00024 -0.00002 0.00004 -0.00002 16 4 H 1S -0.00070 0.00000 -0.00057 0.00000 0.00025 17 2S -0.00274 0.00000 -0.00108 0.00000 0.00318 18 3PX -0.00026 -0.00002 -0.00013 -0.00017 0.00012 19 3PY 0.00025 -0.00005 0.00013 -0.00017 -0.00012 20 3PZ 0.00003 0.00024 0.00002 -0.00005 -0.00002 21 5 B 1S 0.40642 -0.70274 -0.00029 0.00067 0.57090 22 2S 0.02688 -0.04361 -0.00002 0.00004 0.03535 23 2PX 0.00012 -0.00007 -0.00019 0.00019 0.00007 24 2PY 0.00032 -0.00020 0.00019 0.00019 0.00019 25 2PZ -0.00160 0.00101 0.00002 0.00005 -0.00095 26 3S -0.00391 0.03348 0.00001 -0.00003 -0.04660 27 3PX -0.00041 0.00091 -0.00360 0.00359 -0.00174 28 3PY -0.00111 0.00244 0.00358 0.00348 -0.00470 29 3PZ 0.00549 -0.01205 0.00045 0.00098 0.02325 30 4XX -0.00357 0.00580 0.00003 -0.00004 -0.00489 31 4YY -0.00354 0.00579 -0.00008 -0.00009 -0.00485 32 4ZZ -0.00293 0.00543 0.00006 0.00011 -0.00400 33 4XY 0.00001 -0.00001 0.00003 -0.00007 0.00004 34 4XZ -0.00006 0.00003 -0.00025 0.00024 -0.00007 35 4YZ -0.00015 0.00009 0.00024 0.00023 -0.00021 36 6 B 1S 0.40553 0.00067 0.00153 0.70276 -0.23867 37 2S 0.02682 0.00004 0.00009 0.04361 -0.01478 38 2PX -0.00115 0.00002 -0.00020 -0.00072 0.00029 39 2PY -0.00112 0.00005 0.00019 -0.00071 0.00028 40 2PZ -0.00031 -0.00027 0.00002 -0.00020 0.00008 41 3S -0.00384 -0.00003 -0.00007 -0.03349 0.01945 42 3PX 0.00392 0.00038 -0.00359 0.00867 -0.00697 43 3PY 0.00383 0.00101 0.00359 0.00844 -0.00681 44 3PZ 0.00107 -0.00498 0.00046 0.00236 -0.00190 45 4XX -0.00323 0.00003 -0.00032 -0.00561 0.00177 46 4YY -0.00325 0.00008 0.00028 -0.00562 0.00178 47 4ZZ -0.00354 -0.00012 0.00000 -0.00579 0.00219 48 4XY 0.00037 0.00007 0.00000 0.00021 -0.00012 49 4XZ 0.00010 -0.00024 -0.00003 0.00006 -0.00006 50 4YZ 0.00010 -0.00023 0.00007 0.00006 -0.00011 51 7 B 1S 0.40575 -0.00027 0.70282 -0.00159 -0.33326 52 2S 0.02684 -0.00002 0.04361 -0.00010 -0.02064 53 2PX 0.00116 0.00002 0.00073 0.00019 -0.00040 54 2PY -0.00115 0.00005 -0.00072 0.00019 0.00040 55 2PZ -0.00014 -0.00027 -0.00009 0.00005 0.00005 56 3S -0.00386 0.00001 -0.03349 0.00008 0.02716 57 3PX -0.00396 0.00038 -0.00872 0.00360 0.00982 58 3PY 0.00392 0.00101 0.00865 0.00347 -0.00972 59 3PZ 0.00050 -0.00498 0.00109 0.00098 -0.00123 60 4XX -0.00323 -0.00003 -0.00561 -0.00029 0.00251 61 4YY -0.00324 0.00009 -0.00561 0.00031 0.00252 62 4ZZ -0.00356 -0.00005 -0.00580 0.00002 0.00299 63 4XY -0.00038 -0.00003 -0.00022 0.00000 0.00023 64 4XZ -0.00005 0.00025 -0.00003 -0.00003 0.00000 65 4YZ 0.00005 -0.00024 0.00003 0.00007 -0.00010 66 8 B 1S 0.40567 0.00019 -0.70269 0.00159 -0.33338 67 2S 0.02683 0.00001 -0.04361 0.00010 -0.02064 68 2PX -0.00116 0.00002 0.00073 0.00019 0.00040 69 2PY 0.00114 0.00005 -0.00072 0.00019 -0.00040 70 2PZ 0.00014 -0.00027 -0.00009 0.00005 -0.00005 71 3S -0.00385 -0.00001 0.03348 -0.00008 0.02717 72 3PX 0.00396 0.00038 -0.00872 0.00360 -0.00982 73 3PY -0.00392 0.00101 0.00864 0.00347 0.00972 74 3PZ -0.00050 -0.00498 0.00109 0.00098 0.00123 75 4XX -0.00323 0.00003 0.00561 0.00029 0.00251 76 4YY -0.00324 -0.00009 0.00561 -0.00031 0.00252 77 4ZZ -0.00356 0.00005 0.00580 -0.00002 0.00299 78 4XY -0.00038 0.00003 0.00022 0.00000 0.00023 79 4XZ -0.00005 -0.00025 0.00003 0.00003 0.00000 80 4YZ 0.00005 0.00024 -0.00003 -0.00007 -0.00010 81 9 B 1S 0.40553 -0.00067 -0.00165 -0.70275 -0.23868 82 2S 0.02682 -0.00004 -0.00010 -0.04361 -0.01478 83 2PX 0.00115 0.00002 -0.00020 -0.00072 -0.00029 84 2PY 0.00112 0.00005 0.00019 -0.00071 -0.00028 85 2PZ 0.00031 -0.00027 0.00002 -0.00020 -0.00008 86 3S -0.00384 0.00003 0.00008 0.03349 0.01945 87 3PX -0.00392 0.00038 -0.00359 0.00867 0.00697 88 3PY -0.00383 0.00101 0.00359 0.00844 0.00681 89 3PZ -0.00107 -0.00498 0.00046 0.00236 0.00190 90 4XX -0.00323 -0.00003 0.00032 0.00561 0.00177 91 4YY -0.00325 -0.00008 -0.00028 0.00562 0.00178 92 4ZZ -0.00354 0.00012 0.00000 0.00579 0.00219 93 4XY 0.00037 -0.00007 0.00000 -0.00021 -0.00012 94 4XZ 0.00010 0.00024 0.00003 -0.00006 -0.00006 95 4YZ 0.00010 0.00023 -0.00007 -0.00006 -0.00011 96 10 B 1S 0.40645 0.70277 0.00016 -0.00068 0.57084 97 2S 0.02688 0.04361 0.00001 -0.00004 0.03534 98 2PX -0.00012 -0.00007 -0.00019 0.00019 -0.00007 99 2PY -0.00032 -0.00020 0.00019 0.00019 -0.00019 100 2PZ 0.00160 0.00101 0.00002 0.00005 0.00095 101 3S -0.00391 -0.03349 -0.00001 0.00003 -0.04660 102 3PX 0.00041 0.00091 -0.00360 0.00359 0.00174 103 3PY 0.00111 0.00244 0.00358 0.00348 0.00470 104 3PZ -0.00549 -0.01205 0.00045 0.00098 -0.02325 105 4XX -0.00357 -0.00580 -0.00003 0.00004 -0.00489 106 4YY -0.00354 -0.00579 0.00008 0.00009 -0.00485 107 4ZZ -0.00293 -0.00544 -0.00006 -0.00011 -0.00400 108 4XY 0.00001 0.00001 -0.00003 0.00007 0.00004 109 4XZ -0.00006 -0.00003 0.00025 -0.00024 -0.00007 110 4YZ -0.00015 -0.00009 -0.00024 -0.00023 -0.00021 111 11 H 1S -0.00071 -0.00057 0.00000 0.00000 -0.00042 112 2S -0.00275 -0.00108 0.00000 0.00000 -0.00546 113 3PX 0.00003 0.00001 0.00017 -0.00017 0.00002 114 3PY 0.00007 0.00004 -0.00017 -0.00017 0.00006 115 3PZ -0.00036 -0.00018 -0.00002 -0.00005 -0.00029 116 12 H 1S -0.00071 0.00057 0.00000 0.00000 -0.00042 117 2S -0.00275 0.00108 0.00000 0.00000 -0.00546 118 3PX -0.00003 0.00001 0.00017 -0.00017 -0.00002 119 3PY -0.00007 0.00004 -0.00017 -0.00017 -0.00006 120 3PZ 0.00036 -0.00018 -0.00002 -0.00005 0.00029 6 7 8 9 10 O O O O O Eigenvalues -- -6.31402 -0.31228 -0.08046 -0.08046 -0.08046 1 1 H 1S -0.00038 0.01898 -0.01250 -0.05761 -0.13127 2 2S -0.00499 -0.00381 -0.01079 -0.04975 -0.11335 3 3PX -0.00019 0.00015 -0.00062 -0.00282 -0.00408 4 3PY -0.00019 0.00015 -0.00059 -0.00103 -0.00474 5 3PZ -0.00005 0.00004 0.00120 -0.00059 -0.00132 6 2 H 1S 0.00034 0.01898 -0.01411 -0.13063 0.05868 7 2S 0.00447 -0.00381 -0.01218 -0.11280 0.05067 8 3PX -0.00017 -0.00015 0.00047 0.00488 -0.00115 9 3PY 0.00017 0.00015 -0.00066 -0.00404 0.00285 10 3PZ 0.00002 0.00002 0.00127 -0.00062 0.00044 11 3 H 1S -0.00038 0.01898 0.01250 0.05761 0.13127 12 2S -0.00499 -0.00381 0.01079 0.04975 0.11335 13 3PX 0.00019 -0.00015 -0.00062 -0.00282 -0.00408 14 3PY 0.00019 -0.00015 -0.00059 -0.00103 -0.00474 15 3PZ 0.00005 -0.00004 0.00120 -0.00059 -0.00132 16 4 H 1S 0.00034 0.01898 0.01411 0.13063 -0.05868 17 2S 0.00447 -0.00381 0.01218 0.11280 -0.05067 18 3PX 0.00017 0.00015 0.00047 0.00488 -0.00115 19 3PY -0.00017 -0.00015 -0.00066 -0.00404 0.00285 20 3PZ -0.00002 -0.00002 0.00127 -0.00062 0.00043 21 5 B 1S -0.05451 -0.09180 -0.12914 0.01627 0.00516 22 2S -0.00337 0.15752 0.23802 -0.02998 -0.00951 23 2PX -0.00001 0.00834 -0.00322 -0.04447 0.11508 24 2PY -0.00002 0.02256 0.00998 0.11339 0.04229 25 2PZ 0.00009 -0.11156 0.03225 0.01576 0.01594 26 3S 0.00446 0.07702 0.04684 -0.00590 -0.00187 27 3PX 0.00017 -0.00123 -0.00822 -0.02166 0.05847 28 3PY 0.00045 -0.00331 -0.01277 0.05959 0.02210 29 3PZ -0.00222 0.01639 0.10443 -0.00313 0.00454 30 4XX 0.00047 -0.00242 0.00041 -0.00079 0.00189 31 4YY 0.00046 -0.00181 0.00140 0.00495 0.00185 32 4ZZ 0.00039 0.01496 0.00701 -0.00527 -0.00409 33 4XY 0.00021 0.00031 0.00025 -0.00010 0.00337 34 4XZ 0.00005 -0.00151 -0.00047 0.00598 -0.01450 35 4YZ 0.00003 -0.00408 -0.00365 -0.01367 -0.00486 36 6 B 1S 0.52214 -0.09180 -0.01131 -0.05215 -0.11883 37 2S 0.03233 0.15753 0.02085 0.09612 0.21902 38 2PX -0.00063 -0.08016 -0.01573 -0.06996 0.05533 39 2PY -0.00061 -0.07826 -0.01395 0.08999 -0.01558 40 2PZ -0.00017 -0.02182 0.12148 -0.00284 -0.00402 41 3S -0.04259 0.07701 0.00410 0.01891 0.04309 42 3PX 0.01527 0.01178 -0.00241 -0.00981 0.08624 43 3PY 0.01491 0.01150 -0.00164 0.07047 0.04900 44 3PZ 0.00416 0.00321 0.06295 0.00552 0.01382 45 4XX -0.00409 0.00650 0.00316 0.01414 -0.00190 46 4YY -0.00411 0.00608 0.00279 -0.01107 0.00900 47 4ZZ -0.00437 -0.00185 -0.00518 0.00049 0.00101 48 4XY 0.00052 0.01017 0.00339 0.00124 0.00384 49 4XZ 0.00013 0.00284 -0.01056 0.00291 0.00104 50 4YZ 0.00011 0.00277 -0.01034 -0.00111 0.00275 51 7 B 1S -0.46720 -0.09180 -0.01277 -0.11826 0.05312 52 2S -0.02893 0.15753 0.02354 0.21795 -0.09790 53 2PX -0.00056 0.08081 -0.00351 0.01661 0.08831 54 2PY 0.00056 -0.07995 -0.01481 0.05613 0.06978 55 2PZ 0.00007 -0.01012 0.12222 -0.00322 0.01570 56 3S 0.03813 0.07702 0.00463 0.04288 -0.01926 57 3PX 0.01378 -0.01188 -0.00809 -0.05005 0.07091 58 3PY -0.01363 0.01175 -0.00124 0.08621 0.00932 59 3PZ -0.00173 0.00149 0.06260 0.00569 0.00465 60 4XX 0.00367 0.00665 0.00019 0.00963 0.01102 61 4YY 0.00367 0.00646 0.00309 -0.00207 -0.01413 62 4ZZ 0.00390 -0.00238 -0.00240 0.00052 -0.00052 63 4XY 0.00050 -0.01048 -0.00186 -0.00388 0.00176 64 4XZ 0.00008 -0.00133 0.01124 -0.00145 0.00086 65 4YZ -0.00001 0.00131 -0.01091 0.00059 -0.00267 66 8 B 1S -0.46736 -0.09180 0.01277 0.11826 -0.05312 67 2S -0.02894 0.15753 -0.02354 -0.21795 0.09790 68 2PX 0.00056 -0.08081 -0.00351 0.01661 0.08831 69 2PY -0.00056 0.07995 -0.01481 0.05613 0.06978 70 2PZ -0.00007 0.01012 0.12222 -0.00321 0.01570 71 3S 0.03814 0.07702 -0.00463 -0.04289 0.01926 72 3PX -0.01378 0.01188 -0.00809 -0.05005 0.07091 73 3PY 0.01364 -0.01175 -0.00124 0.08621 0.00932 74 3PZ 0.00173 -0.00149 0.06260 0.00569 0.00465 75 4XX 0.00367 0.00665 -0.00019 -0.00963 -0.01102 76 4YY 0.00367 0.00646 -0.00308 0.00207 0.01413 77 4ZZ 0.00390 -0.00238 0.00240 -0.00052 0.00052 78 4XY 0.00050 -0.01048 0.00186 0.00388 -0.00176 79 4XZ 0.00008 -0.00133 -0.01124 0.00145 -0.00086 80 4YZ -0.00001 0.00131 0.01091 -0.00059 0.00267 81 9 B 1S 0.52214 -0.09180 0.01132 0.05215 0.11883 82 2S 0.03233 0.15753 -0.02085 -0.09612 -0.21902 83 2PX 0.00063 0.08016 -0.01573 -0.06995 0.05533 84 2PY 0.00061 0.07826 -0.01395 0.08999 -0.01558 85 2PZ 0.00017 0.02182 0.12148 -0.00284 -0.00402 86 3S -0.04259 0.07701 -0.00410 -0.01891 -0.04309 87 3PX -0.01527 -0.01178 -0.00241 -0.00981 0.08624 88 3PY -0.01491 -0.01150 -0.00164 0.07047 0.04900 89 3PZ -0.00416 -0.00321 0.06295 0.00552 0.01382 90 4XX -0.00409 0.00650 -0.00316 -0.01414 0.00190 91 4YY -0.00411 0.00608 -0.00279 0.01107 -0.00900 92 4ZZ -0.00437 -0.00185 0.00518 -0.00049 -0.00101 93 4XY 0.00052 0.01017 -0.00339 -0.00124 -0.00384 94 4XZ 0.00013 0.00284 0.01056 -0.00291 -0.00104 95 4YZ 0.00011 0.00277 0.01034 0.00111 -0.00275 96 10 B 1S -0.05456 -0.09180 0.12914 -0.01627 -0.00516 97 2S -0.00338 0.15752 -0.23802 0.02998 0.00951 98 2PX 0.00001 -0.00834 -0.00322 -0.04447 0.11508 99 2PY 0.00002 -0.02256 0.00998 0.11339 0.04229 100 2PZ -0.00009 0.11156 0.03225 0.01576 0.01594 101 3S 0.00446 0.07702 -0.04684 0.00590 0.00187 102 3PX -0.00017 0.00123 -0.00822 -0.02166 0.05847 103 3PY -0.00045 0.00331 -0.01277 0.05959 0.02210 104 3PZ 0.00222 -0.01639 0.10443 -0.00313 0.00454 105 4XX 0.00047 -0.00242 -0.00041 0.00079 -0.00189 106 4YY 0.00046 -0.00181 -0.00140 -0.00495 -0.00185 107 4ZZ 0.00039 0.01496 -0.00701 0.00527 0.00409 108 4XY 0.00021 0.00031 -0.00025 0.00010 -0.00337 109 4XZ 0.00005 -0.00151 0.00047 -0.00598 0.01450 110 4YZ 0.00003 -0.00408 0.00365 0.01367 0.00486 111 11 H 1S 0.00004 0.01898 -0.14266 0.01797 0.00570 112 2S 0.00052 -0.00381 -0.12318 0.01552 0.00492 113 3PX 0.00000 -0.00002 0.00049 -0.00055 0.00123 114 3PY -0.00001 -0.00004 0.00154 0.00105 0.00040 115 3PZ 0.00003 0.00021 -0.00673 0.00106 0.00046 116 12 H 1S 0.00004 0.01898 0.14266 -0.01797 -0.00570 117 2S 0.00052 -0.00381 0.12318 -0.01552 -0.00492 118 3PX 0.00000 0.00002 0.00049 -0.00055 0.00123 119 3PY 0.00001 0.00004 0.00154 0.00105 0.00040 120 3PZ -0.00003 -0.00021 -0.00673 0.00106 0.00046 11 12 13 14 15 O O O O O Eigenvalues -- -0.02657 -0.00404 -0.00404 0.08872 0.08872 1 1 H 1S 0.11506 -0.07627 0.16713 -0.02765 -0.04110 2 2S 0.14249 -0.09354 0.20496 -0.05785 -0.08599 3 3PX 0.00403 -0.00214 0.00468 -0.00080 -0.00291 4 3PY 0.00393 -0.00208 0.00457 -0.00119 0.00111 5 3PZ 0.00110 -0.00058 0.00127 0.00264 -0.00007 6 2 H 1S 0.11507 -0.10661 -0.14961 -0.00184 0.17715 7 2S 0.14249 -0.13074 -0.18348 -0.00385 0.37061 8 3PX -0.00406 0.00301 0.00422 -0.00048 -0.00441 9 3PY 0.00402 -0.00298 -0.00418 -0.00091 0.00348 10 3PZ 0.00051 -0.00038 -0.00053 0.00272 0.00030 11 3 H 1S 0.11506 -0.07627 0.16713 0.02765 0.04110 12 2S 0.14249 -0.09354 0.20496 0.05785 0.08599 13 3PX -0.00403 0.00214 -0.00468 -0.00080 -0.00291 14 3PY -0.00393 0.00208 -0.00457 -0.00119 0.00111 15 3PZ -0.00110 0.00058 -0.00127 0.00264 -0.00007 16 4 H 1S 0.11507 -0.10661 -0.14961 0.00184 -0.17715 17 2S 0.14249 -0.13074 -0.18348 0.00385 -0.37061 18 3PX 0.00406 -0.00301 -0.00422 -0.00048 -0.00441 19 3PY -0.00402 0.00298 0.00418 -0.00091 0.00348 20 3PZ -0.00051 0.00038 0.00053 0.00272 0.00030 21 5 B 1S -0.02211 -0.07553 0.00723 -0.03629 0.00091 22 2S 0.01379 0.13179 -0.01262 0.07696 -0.00193 23 2PX -0.01147 -0.01035 0.00099 0.00268 -0.14281 24 2PY -0.03101 -0.02798 0.00268 0.03373 0.08716 25 2PZ 0.15338 0.13839 -0.01325 -0.26425 0.01374 26 3S 0.05258 -0.01086 0.00104 0.14228 -0.00356 27 3PX -0.00221 -0.00690 0.00066 -0.00696 -0.03757 28 3PY -0.00597 -0.01865 0.00179 -0.01180 0.02357 29 3PZ 0.02952 0.09225 -0.00883 0.03259 0.00106 30 4XX 0.00314 -0.00591 0.00049 0.00998 -0.00187 31 4YY 0.00287 -0.00544 0.00034 0.00901 0.00248 32 4ZZ -0.00430 0.00782 -0.00049 -0.00564 -0.00094 33 4XY -0.00013 0.00120 0.01002 -0.00071 -0.00194 34 4XZ 0.00065 -0.00100 0.00214 0.00287 0.01250 35 4YZ 0.00175 -0.00315 0.00102 0.00544 -0.00773 36 6 B 1S -0.02210 0.03150 -0.06903 0.00558 0.00830 37 2S 0.01377 -0.05496 0.12044 -0.01184 -0.01760 38 2PX 0.11019 -0.04148 0.09087 0.01772 -0.07282 39 2PY 0.10758 -0.04049 0.08872 -0.00600 0.15686 40 2PZ 0.02999 -0.01129 0.02474 0.16975 0.02201 41 3S 0.05258 0.00453 -0.00993 -0.02188 -0.03253 42 3PX 0.02120 -0.02765 0.06058 -0.00664 -0.03608 43 3PY 0.02070 -0.02699 0.05914 -0.01264 0.02504 44 3PZ 0.00577 -0.00753 0.01649 0.04180 0.00124 45 4XX -0.00068 -0.00450 -0.00081 0.00094 0.01222 46 4YY -0.00050 -0.00401 -0.00095 0.00330 -0.01276 47 4ZZ 0.00289 0.00998 -0.00147 -0.00629 -0.00251 48 4XY -0.00435 0.00145 0.00951 0.00430 0.00205 49 4XZ -0.00121 -0.00101 0.00201 -0.00960 0.00194 50 4YZ -0.00118 -0.00331 0.00090 -0.00898 -0.00202 51 7 B 1S -0.02210 0.04403 0.06180 0.00037 -0.03576 52 2S 0.01378 -0.07682 -0.10782 -0.00079 0.07583 53 2PX -0.11109 0.05844 0.08202 -0.03196 0.15869 54 2PY 0.10991 -0.05782 -0.08114 -0.04836 -0.20822 55 2PZ 0.01391 -0.00732 -0.01027 0.15747 -0.03448 56 3S 0.05259 0.00633 0.00889 -0.00146 0.14020 57 3PX -0.02137 0.03896 0.05468 -0.00769 -0.03117 58 3PY 0.02115 -0.03854 -0.05409 -0.01354 0.01729 59 3PZ 0.00268 -0.00488 -0.00685 0.04154 0.00004 60 4XX -0.00075 -0.00428 0.00151 -0.00332 -0.00140 61 4YY -0.00066 -0.00378 0.00134 0.00546 0.00442 62 4ZZ 0.00312 0.01011 0.00003 -0.00227 0.01014 63 4XY 0.00448 0.00089 0.00955 -0.00141 0.00990 64 4XZ 0.00057 -0.00112 0.00209 0.01022 0.00074 65 4YZ -0.00056 -0.00333 0.00110 -0.00947 -0.00032 66 8 B 1S -0.02210 0.04403 0.06180 -0.00037 0.03576 67 2S 0.01378 -0.07682 -0.10782 0.00079 -0.07583 68 2PX 0.11109 -0.05844 -0.08202 -0.03196 0.15869 69 2PY -0.10991 0.05782 0.08114 -0.04836 -0.20822 70 2PZ -0.01391 0.00732 0.01027 0.15747 -0.03448 71 3S 0.05259 0.00633 0.00889 0.00145 -0.14020 72 3PX 0.02137 -0.03896 -0.05468 -0.00769 -0.03117 73 3PY -0.02115 0.03854 0.05409 -0.01354 0.01729 74 3PZ -0.00268 0.00488 0.00685 0.04154 0.00004 75 4XX -0.00075 -0.00428 0.00151 0.00332 0.00140 76 4YY -0.00066 -0.00378 0.00134 -0.00546 -0.00442 77 4ZZ 0.00312 0.01011 0.00003 0.00227 -0.01014 78 4XY 0.00448 0.00089 0.00955 0.00141 -0.00990 79 4XZ 0.00057 -0.00112 0.00209 -0.01022 -0.00074 80 4YZ -0.00056 -0.00333 0.00110 0.00947 0.00032 81 9 B 1S -0.02210 0.03150 -0.06903 -0.00558 -0.00830 82 2S 0.01377 -0.05496 0.12044 0.01184 0.01760 83 2PX -0.11019 0.04148 -0.09087 0.01772 -0.07282 84 2PY -0.10758 0.04049 -0.08872 -0.00600 0.15686 85 2PZ -0.02999 0.01129 -0.02474 0.16975 0.02201 86 3S 0.05258 0.00453 -0.00993 0.02189 0.03252 87 3PX -0.02120 0.02765 -0.06058 -0.00663 -0.03608 88 3PY -0.02070 0.02699 -0.05914 -0.01264 0.02504 89 3PZ -0.00577 0.00752 -0.01649 0.04180 0.00124 90 4XX -0.00068 -0.00450 -0.00081 -0.00094 -0.01222 91 4YY -0.00050 -0.00401 -0.00095 -0.00330 0.01276 92 4ZZ 0.00289 0.00998 -0.00147 0.00629 0.00251 93 4XY -0.00435 0.00145 0.00951 -0.00430 -0.00205 94 4XZ -0.00121 -0.00101 0.00201 0.00960 -0.00194 95 4YZ -0.00118 -0.00331 0.00090 0.00898 0.00202 96 10 B 1S -0.02211 -0.07553 0.00723 0.03629 -0.00091 97 2S 0.01379 0.13179 -0.01262 -0.07696 0.00193 98 2PX 0.01147 0.01035 -0.00099 0.00268 -0.14281 99 2PY 0.03101 0.02798 -0.00268 0.03373 0.08716 100 2PZ -0.15338 -0.13839 0.01325 -0.26425 0.01374 101 3S 0.05258 -0.01086 0.00104 -0.14228 0.00356 102 3PX 0.00221 0.00690 -0.00066 -0.00696 -0.03757 103 3PY 0.00597 0.01865 -0.00179 -0.01180 0.02356 104 3PZ -0.02952 -0.09225 0.00883 0.03259 0.00106 105 4XX 0.00314 -0.00591 0.00049 -0.00998 0.00187 106 4YY 0.00287 -0.00544 0.00034 -0.00901 -0.00248 107 4ZZ -0.00430 0.00782 -0.00049 0.00564 0.00094 108 4XY -0.00013 0.00120 0.01002 0.00071 0.00194 109 4XZ 0.00065 -0.00100 0.00214 -0.00287 -0.01250 110 4YZ 0.00175 -0.00315 0.00102 -0.00544 0.00773 111 11 H 1S 0.11508 0.18286 -0.01751 0.17979 -0.00451 112 2S 0.14251 0.22426 -0.02147 0.37613 -0.00943 113 3PX -0.00042 -0.00053 0.00005 -0.00070 -0.00245 114 3PY -0.00113 -0.00144 0.00014 -0.00144 0.00156 115 3PZ 0.00561 0.00713 -0.00068 0.00546 -0.00001 116 12 H 1S 0.11508 0.18286 -0.01751 -0.17979 0.00451 117 2S 0.14251 0.22426 -0.02148 -0.37613 0.00943 118 3PX 0.00042 0.00053 -0.00005 -0.00070 -0.00245 119 3PY 0.00113 0.00144 -0.00014 -0.00144 0.00156 120 3PZ -0.00561 -0.00713 0.00068 0.00546 -0.00001 16 17 18 19 20 O O O O V Eigenvalues -- 0.08872 0.16377 0.16377 0.16377 0.46037 1 1 H 1S 0.17504 0.00000 0.00000 0.00000 0.00001 2 2S 0.36619 0.00001 0.00001 0.00000 0.00005 3 3PX 0.00338 0.00435 0.00100 0.00112 0.00247 4 3PY 0.00416 -0.00440 0.00071 -0.00153 -0.00216 5 3PZ 0.00154 -0.00022 -0.00620 0.00134 -0.00134 6 2 H 1S 0.04131 0.00000 0.00000 0.00000 0.00000 7 2S 0.08642 0.00000 0.00000 0.00000 0.00003 8 3PX 0.00101 -0.00448 -0.00043 -0.00079 -0.00870 9 3PY 0.00274 -0.00461 -0.00025 0.00000 -0.00863 10 3PZ 0.00108 0.00065 -0.00149 -0.00623 -0.00130 11 3 H 1S -0.17504 0.00000 0.00000 0.00000 0.00000 12 2S -0.36619 0.00001 0.00001 0.00000 0.00002 13 3PX 0.00338 -0.00435 -0.00100 -0.00112 0.00247 14 3PY 0.00416 0.00440 -0.00071 0.00153 -0.00216 15 3PZ 0.00154 0.00022 0.00620 -0.00134 -0.00134 16 4 H 1S -0.04131 0.00000 0.00000 0.00000 0.00000 17 2S -0.08642 0.00000 0.00000 0.00000 0.00004 18 3PX 0.00101 0.00448 0.00043 0.00078 -0.00870 19 3PY 0.00274 0.00461 0.00025 0.00000 -0.00863 20 3PZ 0.00108 -0.00065 0.00149 0.00623 -0.00130 21 5 B 1S -0.00552 0.00000 0.00000 0.00000 0.00000 22 2S 0.01171 0.00000 0.00000 0.00000 0.00000 23 2PX 0.08936 0.04642 0.14630 -0.22799 0.12330 24 2PY 0.14537 -0.06583 0.22432 0.13536 0.21358 25 2PZ -0.00518 -0.00984 0.05630 0.01031 0.05240 26 3S 0.02163 -0.00001 -0.00002 0.00002 -0.00004 27 3PX 0.02246 0.02905 0.09155 -0.14267 0.31556 28 3PY 0.03528 -0.04120 0.14037 0.08471 0.54661 29 3PZ 0.01421 -0.00615 0.03525 0.00643 0.13411 30 4XX 0.00253 -0.01517 -0.00113 -0.00555 -0.00020 31 4YY 0.00568 0.01396 0.00501 0.00613 -0.00096 32 4ZZ -0.00618 0.00122 -0.00389 -0.00058 0.00116 33 4XY 0.00239 0.00030 0.00189 -0.00142 -0.00225 34 4XZ -0.00714 -0.00322 -0.00592 0.00890 0.00123 35 4YZ -0.01085 0.00607 -0.00820 -0.00441 0.00257 36 6 B 1S -0.03533 0.00000 0.00000 0.00000 0.00001 37 2S 0.07493 0.00000 -0.00001 0.00000 0.00000 38 2PX -0.21015 -0.18542 -0.04248 -0.04791 0.04896 39 2PY -0.15532 0.18734 -0.03015 0.06504 -0.04273 40 2PZ -0.02132 0.00926 0.26420 -0.05727 -0.02664 41 3S 0.13853 0.00002 0.00003 -0.00001 -0.00010 42 3PX 0.01610 -0.11605 -0.02661 -0.02998 0.12534 43 3PY 0.02890 0.11722 -0.01889 0.04070 -0.10932 44 3PZ 0.01388 0.00579 0.16532 -0.03584 -0.06815 45 4XX 0.00476 0.00886 0.00250 0.00398 -0.00783 46 4YY -0.00030 -0.00792 0.00053 -0.00739 -0.00855 47 4ZZ 0.00854 -0.00094 -0.00303 0.00341 0.01639 48 4XY -0.00904 -0.00067 0.00244 0.00102 0.01032 49 4XZ -0.00391 0.00499 -0.01013 -0.01016 -0.00030 50 4YZ -0.00467 -0.00537 -0.00461 0.01277 -0.00549 51 7 B 1S -0.00834 0.00000 0.00000 0.00000 0.00000 52 2S 0.01769 0.00000 0.00000 0.00000 0.00000 53 2PX 0.15469 0.19080 0.01847 0.03345 -0.17225 54 2PY 0.06304 0.19636 0.01064 0.00020 -0.17085 55 2PZ 0.05012 -0.02772 0.06343 0.26562 -0.02577 56 3S 0.03268 -0.00001 -0.00001 -0.00001 -0.00003 57 3PX 0.02385 0.11939 0.01155 0.02092 -0.44081 58 3PY 0.03354 0.12289 0.00666 0.00013 -0.43724 59 3PZ 0.01539 -0.01735 0.03969 0.16622 -0.06593 60 4XX 0.01263 0.00978 -0.00068 0.00210 0.00052 61 4YY -0.01112 -0.00964 -0.00480 0.00103 -0.00488 62 4ZZ 0.00156 -0.00014 0.00548 -0.00313 0.00436 63 4XY 0.00200 0.00041 -0.00366 -0.00013 -0.00259 64 4XZ 0.00293 -0.00217 0.01401 0.00468 -0.00110 65 4YZ -0.00462 -0.00054 0.00961 -0.01052 -0.00225 66 8 B 1S 0.00834 0.00000 0.00000 0.00000 0.00000 67 2S -0.01768 0.00000 0.00000 0.00000 0.00000 68 2PX 0.15469 -0.19080 -0.01846 -0.03346 -0.17226 69 2PY 0.06304 -0.19637 -0.01063 -0.00020 -0.17084 70 2PZ 0.05012 0.02772 -0.06343 -0.26562 -0.02577 71 3S -0.03269 -0.00001 -0.00001 -0.00001 -0.00002 72 3PX 0.02385 -0.11939 -0.01155 -0.02093 -0.44083 73 3PY 0.03354 -0.12289 -0.00666 -0.00013 -0.43721 74 3PZ 0.01539 0.01735 -0.03969 -0.16622 -0.06593 75 4XX -0.01263 0.00978 -0.00068 0.00210 -0.00052 76 4YY 0.01112 -0.00964 -0.00480 0.00103 0.00488 77 4ZZ -0.00156 -0.00014 0.00548 -0.00313 -0.00436 78 4XY -0.00200 0.00041 -0.00366 -0.00013 0.00258 79 4XZ -0.00293 -0.00217 0.01401 0.00468 0.00110 80 4YZ 0.00462 -0.00054 0.00961 -0.01052 0.00225 81 9 B 1S 0.03533 0.00000 0.00000 0.00000 0.00000 82 2S -0.07493 0.00000 -0.00001 0.00000 -0.00001 83 2PX -0.21014 0.18542 0.04248 0.04791 0.04897 84 2PY -0.15532 -0.18734 0.03015 -0.06504 -0.04272 85 2PZ -0.02132 -0.00926 -0.26420 0.05727 -0.02663 86 3S -0.13852 0.00002 0.00003 0.00000 0.00004 87 3PX 0.01610 0.11605 0.02660 0.02998 0.12536 88 3PY 0.02890 -0.11722 0.01888 -0.04070 -0.10930 89 3PZ 0.01387 -0.00579 -0.16532 0.03584 -0.06815 90 4XX -0.00476 0.00886 0.00250 0.00398 0.00783 91 4YY 0.00030 -0.00792 0.00053 -0.00739 0.00855 92 4ZZ -0.00854 -0.00094 -0.00303 0.00341 -0.01639 93 4XY 0.00904 -0.00067 0.00244 0.00102 -0.01031 94 4XZ 0.00391 0.00499 -0.01013 -0.01016 0.00030 95 4YZ 0.00467 -0.00537 -0.00461 0.01277 0.00549 96 10 B 1S 0.00552 0.00000 0.00000 0.00000 0.00000 97 2S -0.01171 0.00000 0.00000 0.00000 0.00000 98 2PX 0.08936 -0.04642 -0.14630 0.22799 0.12329 99 2PY 0.14537 0.06583 -0.22432 -0.13536 0.21358 100 2PZ -0.00518 0.00984 -0.05630 -0.01031 0.05241 101 3S -0.02163 -0.00001 -0.00002 0.00002 -0.00001 102 3PX 0.02246 -0.02905 -0.09155 0.14267 0.31554 103 3PY 0.03529 0.04119 -0.14037 -0.08471 0.54660 104 3PZ 0.01422 0.00615 -0.03525 -0.00643 0.13415 105 4XX -0.00253 -0.01517 -0.00113 -0.00555 0.00020 106 4YY -0.00568 0.01396 0.00501 0.00613 0.00096 107 4ZZ 0.00618 0.00122 -0.00389 -0.00058 -0.00116 108 4XY -0.00239 0.00030 0.00189 -0.00142 0.00225 109 4XZ 0.00714 -0.00322 -0.00592 0.00890 -0.00124 110 4YZ 0.01085 0.00607 -0.00820 -0.00441 -0.00257 111 11 H 1S 0.02734 0.00000 0.00000 0.00000 0.00000 112 2S 0.05720 0.00000 -0.00001 0.00001 0.00004 113 3PX 0.00143 -0.00109 -0.00343 0.00535 0.00623 114 3PY 0.00221 0.00154 -0.00526 -0.00318 0.01079 115 3PZ 0.00144 0.00023 -0.00132 -0.00024 0.00265 116 12 H 1S -0.02734 0.00000 0.00000 0.00000 0.00000 117 2S -0.05720 0.00000 -0.00001 0.00001 0.00003 118 3PX 0.00143 0.00109 0.00343 -0.00535 0.00623 119 3PY 0.00221 -0.00154 0.00526 0.00318 0.01079 120 3PZ 0.00144 -0.00023 0.00132 0.00024 0.00265 21 22 23 24 25 V V V V V Eigenvalues -- 0.46037 0.46037 0.46812 0.51823 0.51823 1 1 H 1S 0.00000 -0.00002 0.07613 0.03776 -0.04249 2 2S -0.00003 -0.00015 0.76076 0.25484 -0.28674 3 3PX -0.00871 0.00087 -0.00326 0.00515 -0.00340 4 3PY 0.00867 0.00257 -0.00318 -0.00379 -0.00151 5 3PZ 0.00089 -0.01244 -0.00089 0.00467 0.00665 6 2 H 1S 0.00000 -0.00002 0.07613 -0.04879 0.01611 7 2S -0.00003 -0.00016 0.76076 -0.32927 0.10865 8 3PX -0.00239 -0.00017 0.00329 0.00458 -0.00469 9 3PY -0.00236 -0.00177 -0.00325 0.00042 -0.00434 10 3PZ -0.00044 0.01265 -0.00041 0.00548 0.00598 11 3 H 1S 0.00000 -0.00002 0.07613 -0.03775 0.04250 12 2S 0.00000 -0.00020 0.76076 -0.25472 0.28687 13 3PX -0.00871 0.00087 0.00326 0.00515 -0.00340 14 3PY 0.00867 0.00257 0.00318 -0.00379 -0.00151 15 3PZ 0.00089 -0.01244 0.00088 0.00467 0.00665 16 4 H 1S 0.00000 -0.00002 0.07613 0.04878 -0.01611 17 2S 0.00000 -0.00018 0.76076 0.32914 -0.10876 18 3PX -0.00239 -0.00017 -0.00328 0.00459 -0.00469 19 3PY -0.00236 -0.00177 0.00325 0.00042 -0.00434 20 3PZ -0.00044 0.01265 0.00041 0.00548 0.00598 21 5 B 1S 0.00000 -0.00001 0.02106 0.07604 0.10860 22 2S 0.00000 0.00001 -0.03762 0.06188 0.08837 23 2PX 0.21971 -0.01400 0.00867 0.01344 -0.01226 24 2PY -0.12507 -0.01587 0.02343 -0.00612 -0.01020 25 2PZ -0.00885 -0.00423 -0.11598 0.02092 0.02722 26 3S -0.00001 0.00015 -0.58967 -1.54121 -2.20125 27 3PX 0.56229 -0.03581 0.02666 0.72854 -0.64359 28 3PY -0.32011 -0.04062 0.07201 -0.30318 -0.51184 29 3PZ -0.02263 -0.01082 -0.35641 1.00005 1.28636 30 4XX -0.00037 0.00018 -0.02003 0.00148 0.00229 31 4YY 0.00059 0.00045 -0.01856 0.00089 0.00129 32 4ZZ -0.00021 -0.00062 0.02161 -0.01831 -0.02636 33 4XY -0.00080 -0.02034 0.00073 -0.00048 -0.00040 34 4XZ 0.00285 -0.00429 -0.00362 0.00239 0.00203 35 4YZ -0.00166 -0.00163 -0.00978 0.00458 0.00650 36 6 B 1S 0.00000 0.00000 0.02105 0.07018 -0.07898 37 2S 0.00000 0.00001 -0.03761 0.05709 -0.06428 38 2PX -0.17245 0.01733 -0.08333 0.02112 -0.01893 39 2PY 0.17174 0.05095 -0.08134 0.00272 -0.01480 40 2PZ 0.01755 -0.24627 -0.02273 0.01238 0.01023 41 3S 0.00001 0.00010 -0.58964 -1.42245 1.60091 42 3PX -0.44132 0.04440 -0.25605 1.05160 -0.92363 43 3PY 0.43949 0.13045 -0.24994 0.06871 -0.70451 44 3PZ 0.04493 -0.63027 -0.06986 0.64121 0.57209 45 4XX -0.00522 0.00105 0.00135 -0.00758 0.00879 46 4YY 0.00060 0.00152 0.00034 -0.00811 0.00850 47 4ZZ 0.00462 -0.00256 -0.01867 0.00097 -0.00073 48 4XY 0.00286 -0.00027 0.02437 -0.01085 0.01199 49 4XZ -0.00033 -0.00228 0.00679 -0.00266 0.00380 50 4YZ -0.00080 -0.00170 0.00663 -0.00275 0.00374 51 7 B 1S -0.00001 0.00000 0.02105 -0.09068 0.02994 52 2S 0.00000 0.00001 -0.03761 -0.07377 0.02437 53 2PX -0.04726 -0.00334 0.08401 0.02321 -0.01412 54 2PY -0.04667 -0.03504 -0.08312 -0.01289 -0.00426 55 2PZ -0.00870 0.25054 -0.01046 0.00937 0.01273 56 3S 0.00008 0.00013 -0.58965 1.83802 -0.60690 57 3PX -0.12092 -0.00855 0.25816 1.13946 -0.72174 58 3PY -0.11946 -0.08965 -0.25540 -0.58874 -0.26186 59 3PZ -0.02226 0.64119 -0.03215 0.51484 0.67669 60 4XX 0.00932 0.00011 0.00171 0.01022 -0.00302 61 4YY 0.00677 -0.00053 0.00124 0.01051 -0.00394 62 4ZZ -0.01609 0.00042 -0.01992 -0.00172 0.00068 63 4XY 0.00943 0.00037 -0.02510 -0.01428 0.00478 64 4XZ 0.00418 -0.00238 -0.00318 -0.00216 0.00018 65 4YZ 0.00641 0.00238 0.00314 0.00218 -0.00025 66 8 B 1S 0.00000 0.00000 0.02105 0.09068 -0.02994 67 2S 0.00000 0.00001 -0.03761 0.07379 -0.02436 68 2PX -0.04725 -0.00330 -0.08400 0.02322 -0.01412 69 2PY -0.04667 -0.03508 0.08312 -0.01290 -0.00427 70 2PZ -0.00870 0.25053 0.01058 0.00938 0.01272 71 3S -0.00005 0.00014 -0.58966 -1.83801 0.60690 72 3PX -0.12092 -0.00843 -0.25812 1.13955 -0.72166 73 3PY -0.11946 -0.08978 0.25539 -0.58883 -0.26194 74 3PZ -0.02227 0.64118 0.03249 0.51484 0.67668 75 4XX -0.00932 -0.00011 0.00171 -0.01022 0.00302 76 4YY -0.00677 0.00053 0.00124 -0.01051 0.00394 77 4ZZ 0.01609 -0.00041 -0.01992 0.00172 -0.00068 78 4XY -0.00943 -0.00036 -0.02510 0.01428 -0.00479 79 4XZ -0.00418 0.00238 -0.00318 0.00216 -0.00018 80 4YZ -0.00641 -0.00238 0.00314 -0.00218 0.00025 81 9 B 1S 0.00000 -0.00001 0.02105 -0.07017 0.07898 82 2S 0.00000 0.00000 -0.03761 -0.05711 0.06426 83 2PX -0.17245 0.01729 0.08333 0.02113 -0.01892 84 2PY 0.17173 0.05092 0.08137 0.00273 -0.01479 85 2PZ 0.01755 -0.24628 0.02262 0.01238 0.01023 86 3S 0.00000 0.00016 -0.58964 1.42246 -1.60091 87 3PX -0.44134 0.04427 0.25605 1.05168 -0.92353 88 3PY 0.43948 0.13032 0.25004 0.06879 -0.70442 89 3PZ 0.04492 -0.63030 0.06955 0.64124 0.57211 90 4XX 0.00522 -0.00105 0.00135 0.00758 -0.00879 91 4YY -0.00060 -0.00152 0.00034 0.00811 -0.00850 92 4ZZ -0.00462 0.00257 -0.01866 -0.00097 0.00073 93 4XY -0.00286 0.00026 0.02437 0.01085 -0.01199 94 4XZ 0.00033 0.00228 0.00680 0.00266 -0.00380 95 4YZ 0.00081 0.00170 0.00663 0.00275 -0.00374 96 10 B 1S 0.00000 -0.00001 0.02106 -0.07604 -0.10860 97 2S 0.00000 0.00001 -0.03762 -0.06188 -0.08836 98 2PX 0.21971 -0.01399 -0.00868 0.01344 -0.01226 99 2PY -0.12508 -0.01586 -0.02346 -0.00612 -0.01020 100 2PZ -0.00885 -0.00428 0.11598 0.02092 0.02722 101 3S 0.00003 0.00015 -0.58967 1.54122 2.20125 102 3PX 0.56229 -0.03580 -0.02668 0.72854 -0.64359 103 3PY -0.32012 -0.04059 -0.07210 -0.30317 -0.51184 104 3PZ -0.02263 -0.01096 0.35640 1.00005 1.28633 105 4XX 0.00037 -0.00017 -0.02003 -0.00148 -0.00229 106 4YY -0.00059 -0.00044 -0.01856 -0.00089 -0.00129 107 4ZZ 0.00021 0.00061 0.02161 0.01831 0.02636 108 4XY 0.00080 0.02034 0.00074 0.00048 0.00039 109 4XZ -0.00285 0.00429 -0.00362 -0.00239 -0.00203 110 4YZ 0.00166 0.00164 -0.00978 -0.00458 -0.00650 111 11 H 1S 0.00000 -0.00002 0.07614 0.04091 0.05843 112 2S 0.00000 -0.00018 0.76079 0.27612 0.39429 113 3PX 0.01109 -0.00071 0.00034 0.00721 -0.00519 114 3PY -0.00632 -0.00080 0.00092 -0.00141 -0.00274 115 3PZ -0.00045 -0.00021 -0.00454 0.00237 0.00208 116 12 H 1S 0.00000 -0.00002 0.07614 -0.04091 -0.05843 117 2S -0.00003 -0.00017 0.76079 -0.27612 -0.39432 118 3PX 0.01109 -0.00071 -0.00034 0.00721 -0.00519 119 3PY -0.00632 -0.00080 -0.00092 -0.00141 -0.00274 120 3PZ -0.00045 -0.00022 0.00453 0.00237 0.00208 26 27 28 29 30 V V V V V Eigenvalues -- 0.51823 0.53732 0.53732 0.58762 0.58762 1 1 H 1S -0.04741 -0.01087 0.02264 0.00243 0.00750 2 2S -0.31992 -0.60320 1.25661 -0.17371 -0.53564 3 3PX 0.00304 0.00127 -0.00264 0.00065 0.00252 4 3PY -0.00568 0.00124 -0.00258 0.00080 0.00107 5 3PZ -0.00336 0.00034 -0.00072 -0.00085 0.00041 6 2 H 1S -0.05329 -0.01418 -0.02073 0.00062 -0.02508 7 2S -0.35958 -0.78666 -1.15068 -0.04447 1.79132 8 3PX -0.00193 -0.00167 -0.00244 -0.00001 0.00632 9 3PY -0.00534 0.00165 0.00241 0.00042 -0.00584 10 3PZ -0.00367 0.00021 0.00030 -0.00098 -0.00070 11 3 H 1S 0.04741 -0.01087 0.02264 -0.00243 -0.00750 12 2S 0.31989 -0.60320 1.25661 0.17371 0.53564 13 3PX 0.00304 -0.00127 0.00264 0.00065 0.00252 14 3PY -0.00568 -0.00124 0.00258 0.00080 0.00107 15 3PZ -0.00336 -0.00035 0.00072 -0.00085 0.00041 16 4 H 1S 0.05329 -0.01417 -0.02073 -0.00062 0.02508 17 2S 0.35963 -0.78666 -1.15069 0.04448 -1.79132 18 3PX -0.00193 0.00166 0.00244 -0.00001 0.00632 19 3PY -0.00534 -0.00165 -0.00241 0.00042 -0.00584 20 3PZ -0.00367 -0.00021 -0.00031 -0.00098 -0.00070 21 5 B 1S -0.03679 0.11867 -0.00905 -0.07461 0.00028 22 2S -0.02993 -0.14612 0.01113 0.06264 -0.00025 23 2PX 0.00181 0.00726 -0.00056 -0.02297 0.07347 24 2PY -0.01512 0.01961 -0.00150 -0.06628 -0.03932 25 2PZ -0.01315 -0.09697 0.00739 0.36265 -0.00391 26 3S 0.74560 -1.00764 0.07702 1.44180 -0.00546 27 3PX 0.09291 0.06063 -0.00462 -0.07139 0.16089 28 3PY -0.82150 0.16386 -0.01246 -0.20200 -0.08584 29 3PZ -0.64619 -0.81058 0.06166 1.07535 -0.00970 30 4XX -0.00076 -0.00627 0.00066 0.00280 0.00153 31 4YY -0.00015 -0.00660 0.00098 0.00376 -0.00226 32 4ZZ 0.00863 -0.01622 0.00058 0.02103 0.00062 33 4XY 0.00022 -0.00215 -0.02586 0.00054 0.00192 34 4XZ -0.00078 0.00046 -0.00528 -0.00226 -0.01189 35 4YZ -0.00299 0.00218 -0.00200 -0.00544 0.00634 36 6 B 1S -0.08813 -0.05151 0.10729 0.00696 0.02147 37 2S -0.07170 0.06342 -0.13211 -0.00585 -0.01803 38 2PX -0.00722 0.03024 -0.06300 -0.01954 -0.01809 39 2PY -0.02461 0.02952 -0.06151 -0.00584 -0.12892 40 2PZ -0.01048 0.00824 -0.01715 -0.08757 -0.02709 41 3S 1.78629 0.43737 -0.91101 -0.13446 -0.41489 42 3PX -0.28742 0.25274 -0.52657 -0.06170 -0.09784 43 3PY -1.22025 0.24675 -0.51407 -0.03124 -0.33907 44 3PZ -0.53364 0.06879 -0.14342 -0.19685 -0.07519 45 4XX 0.01057 0.01521 -0.00534 -0.00209 -0.01494 46 4YY 0.00905 0.01418 -0.00556 -0.00461 0.00759 47 4ZZ -0.00114 -0.01677 -0.01540 0.00413 -0.00059 48 4XY 0.01356 -0.00970 -0.01109 -0.00362 -0.00307 49 4XZ 0.00366 0.00091 -0.00136 0.00898 -0.00188 50 4YZ 0.00343 0.00679 0.00151 0.00835 0.00168 51 7 B 1S -0.09904 -0.06717 -0.09825 0.00179 -0.07181 52 2S -0.08060 0.08271 0.12098 -0.00149 0.06029 53 2PX 0.01126 -0.03976 -0.05816 0.01776 -0.23493 54 2PY -0.02587 0.03934 0.05754 0.01554 0.26533 55 2PZ -0.00934 0.00497 0.00728 -0.08045 0.03639 56 3S 2.00760 0.57036 0.83421 -0.03455 1.38771 57 3PX 0.49017 -0.33233 -0.48613 0.04372 -0.71057 58 3PY -1.27308 0.32877 0.48097 0.02921 0.77499 59 3PZ -0.48613 0.04161 0.06080 -0.17674 0.10422 60 4XX 0.01195 0.01573 0.00314 0.00204 0.01545 61 4YY 0.01084 0.01459 0.00379 -0.00466 0.00857 62 4ZZ -0.00202 -0.01387 0.01714 0.00196 0.00254 63 4XY -0.01567 0.00686 -0.01193 0.00148 -0.01093 64 4XZ -0.00179 0.00408 -0.00371 -0.00947 -0.00105 65 4YZ 0.00171 0.00753 -0.00424 0.00888 0.00056 66 8 B 1S 0.09905 -0.06717 -0.09825 -0.00178 0.07181 67 2S 0.08059 0.08271 0.12097 0.00149 -0.06029 68 2PX 0.01126 0.03976 0.05816 0.01776 -0.23493 69 2PY -0.02587 -0.03934 -0.05754 0.01554 0.26533 70 2PZ -0.00934 -0.00498 -0.00728 -0.08046 0.03640 71 3S -2.00760 0.57032 0.83427 0.03451 -1.38770 72 3PX 0.49012 0.33232 0.48610 0.04373 -0.71057 73 3PY -1.27304 -0.32880 -0.48092 0.02920 0.77499 74 3PZ -0.48611 -0.04162 -0.06094 -0.17674 0.10421 75 4XX -0.01195 0.01573 0.00314 -0.00204 -0.01545 76 4YY -0.01084 0.01459 0.00379 0.00466 -0.00857 77 4ZZ 0.00202 -0.01387 0.01714 -0.00196 -0.00254 78 4XY 0.01567 0.00686 -0.01193 -0.00148 0.01093 79 4XZ 0.00179 0.00408 -0.00371 0.00947 0.00105 80 4YZ -0.00171 0.00753 -0.00424 -0.00888 -0.00056 81 9 B 1S 0.08813 -0.05150 0.10729 -0.00696 -0.02147 82 2S 0.07170 0.06342 -0.13211 0.00585 0.01803 83 2PX -0.00722 -0.03024 0.06300 -0.01954 -0.01809 84 2PY -0.02461 -0.02952 0.06151 -0.00584 -0.12892 85 2PZ -0.01048 -0.00824 0.01715 -0.08757 -0.02709 86 3S -1.78629 0.43728 -0.91106 0.13451 0.41488 87 3PX -0.28744 -0.25277 0.52654 -0.06169 -0.09784 88 3PY -1.22027 -0.24679 0.51410 -0.03122 -0.33907 89 3PZ -0.53365 -0.06881 0.14326 -0.19685 -0.07519 90 4XX -0.01057 0.01521 -0.00534 0.00209 0.01494 91 4YY -0.00905 0.01418 -0.00556 0.00461 -0.00759 92 4ZZ 0.00114 -0.01677 -0.01540 -0.00413 0.00059 93 4XY -0.01356 -0.00970 -0.01109 0.00362 0.00307 94 4XZ -0.00366 0.00091 -0.00136 -0.00898 0.00188 95 4YZ -0.00343 0.00679 0.00151 -0.00835 -0.00168 96 10 B 1S 0.03678 0.11867 -0.00903 0.07461 -0.00028 97 2S 0.02994 -0.14612 0.01115 -0.06264 0.00025 98 2PX 0.00182 -0.00726 0.00056 -0.02297 0.07346 99 2PY -0.01512 -0.01961 0.00150 -0.06628 -0.03930 100 2PZ -0.01315 0.09697 -0.00739 0.36265 -0.00391 101 3S -0.74560 -1.00765 0.07657 -1.44180 0.00547 102 3PX 0.09290 -0.06065 0.00461 -0.07139 0.16088 103 3PY -0.82150 -0.16389 0.01251 -0.20200 -0.08583 104 3PZ -0.64622 0.81057 -0.06190 1.07535 -0.00970 105 4XX 0.00076 -0.00627 0.00066 -0.00280 -0.00153 106 4YY 0.00015 -0.00660 0.00098 -0.00376 0.00226 107 4ZZ -0.00863 -0.01622 0.00057 -0.02103 -0.00062 108 4XY -0.00022 -0.00215 -0.02586 -0.00054 -0.00192 109 4XZ 0.00078 0.00046 -0.00528 0.00226 0.01189 110 4YZ 0.00299 0.00218 -0.00200 0.00544 -0.00634 111 11 H 1S -0.01979 0.02504 -0.00191 -0.02605 0.00010 112 2S -0.13358 1.38983 -0.10594 1.86107 -0.00719 113 3PX 0.00061 0.00030 -0.00002 0.00071 0.00091 114 3PY -0.00823 0.00082 -0.00006 0.00186 -0.00050 115 3PZ -0.00264 -0.00406 0.00031 -0.00874 0.00000 116 12 H 1S 0.01979 0.02504 -0.00190 0.02605 -0.00010 117 2S 0.13354 1.38983 -0.10590 -1.86107 0.00719 118 3PX 0.00061 -0.00030 0.00002 0.00071 0.00091 119 3PY -0.00823 -0.00082 0.00006 0.00186 -0.00050 120 3PZ -0.00264 0.00406 -0.00031 -0.00874 0.00000 31 32 33 34 35 V V V V V Eigenvalues -- 0.58762 0.63311 0.63311 0.63312 0.73136 1 1 H 1S -0.02496 0.00000 0.00001 -0.00001 -0.16932 2 2S 1.78290 -0.00001 0.00003 0.00003 -0.10865 3 3PX -0.00581 0.00014 0.00098 -0.01399 -0.01335 4 3PY -0.00608 -0.00001 0.00435 0.01367 -0.01304 5 3PZ -0.00177 -0.00048 -0.01919 0.00238 -0.00364 6 2 H 1S -0.00747 0.00000 0.00000 0.00000 -0.16932 7 2S 0.53384 0.00004 -0.00002 0.00000 -0.10865 8 3PX 0.00113 -0.00133 -0.00042 -0.01384 0.01346 9 3PY -0.00246 -0.00379 -0.00035 -0.01354 -0.01332 10 3PZ -0.00052 0.01928 -0.00059 -0.00360 -0.00169 11 3 H 1S 0.02496 0.00000 0.00001 -0.00001 -0.16932 12 2S -1.78290 -0.00001 -0.00007 0.00001 -0.10865 13 3PX -0.00581 -0.00014 -0.00098 0.01399 0.01335 14 3PY -0.00608 0.00001 -0.00435 -0.01367 0.01304 15 3PZ -0.00177 0.00048 0.01919 -0.00238 0.00364 16 4 H 1S 0.00747 0.00000 0.00000 0.00000 -0.16932 17 2S -0.53384 -0.00005 -0.00002 0.00002 -0.10865 18 3PX 0.00113 0.00133 0.00042 0.01384 -0.01346 19 3PY -0.00246 0.00379 0.00035 0.01354 0.01332 20 3PZ -0.00052 -0.01928 0.00059 0.00360 0.00168 21 5 B 1S -0.00718 0.00000 0.00000 0.00000 0.03851 22 2S 0.00604 0.00000 0.00000 -0.00001 -0.23790 23 2PX -0.04159 -0.15573 -0.14711 0.00365 0.02353 24 2PY -0.07824 0.14688 -0.15080 0.00610 0.06364 25 2PZ 0.01744 0.01805 -0.04149 0.00150 -0.31474 26 3S 0.13864 0.00004 0.00000 0.00007 0.47424 27 3PX -0.09309 -1.20475 -1.13804 0.02821 -0.03424 28 3PY -0.17674 1.13628 -1.16657 0.04720 -0.09244 29 3PZ 0.06536 0.13960 -0.32096 0.01161 0.45711 30 4XX -0.00056 0.00053 0.00050 -0.00001 -0.00802 31 4YY -0.00371 -0.00136 0.00139 -0.00006 -0.00797 32 4ZZ 0.00692 0.00082 -0.00190 0.00007 -0.00673 33 4XY -0.00210 0.00054 0.00108 -0.00003 0.00002 34 4XZ 0.00594 -0.00414 -0.00380 0.00009 -0.00011 35 4YZ 0.01053 0.00378 -0.00375 0.00015 -0.00030 36 6 B 1S -0.07147 0.00000 0.00000 0.00000 0.03851 37 2S 0.06001 0.00000 0.00000 0.00000 -0.23790 38 2PX 0.26591 -0.00155 -0.01068 0.15255 -0.22614 39 2PY 0.22748 0.00013 -0.04737 -0.14903 -0.22076 40 2PZ 0.05772 0.00524 0.20923 -0.02591 -0.06154 41 3S 1.38116 -0.00005 0.00011 -0.00008 0.47444 42 3PX 0.77583 -0.01200 -0.08269 1.18016 0.32827 43 3PY 0.68719 0.00104 -0.36655 -1.15286 0.32051 44 3PZ 0.17916 0.04056 1.61842 -0.20045 0.08942 45 4XX 0.00833 -0.00005 -0.00035 0.00500 -0.00735 46 4YY 0.01437 0.00000 -0.00152 -0.00477 -0.00739 47 4ZZ 0.00374 0.00005 0.00187 -0.00023 -0.00798 48 4XY 0.01030 -0.00003 -0.00109 0.00000 0.00076 49 4XZ 0.00354 0.00009 0.00391 0.00029 0.00021 50 4YZ 0.00447 0.00010 0.00362 -0.00125 0.00021 51 7 B 1S -0.02139 0.00000 0.00000 0.00000 0.03851 52 2S 0.01797 0.00000 0.00001 0.00000 -0.23790 53 2PX -0.13028 0.01454 0.00459 0.15094 0.22798 54 2PY 0.02125 0.04132 0.00383 0.14759 -0.22554 55 2PZ -0.01363 -0.21027 0.00639 0.03926 -0.02854 56 3S 0.41341 -0.00002 -0.00010 0.00001 0.47444 57 3PX -0.34372 0.11246 0.03547 1.16766 -0.33101 58 3PY 0.10444 0.31959 0.02970 1.14175 0.32742 59 3PZ -0.02247 -1.62655 0.04945 0.30372 0.04139 60 4XX -0.00763 -0.00048 -0.00015 -0.00499 -0.00734 61 4YY 0.01416 0.00135 0.00012 0.00483 -0.00736 62 4ZZ 0.00138 -0.00087 0.00003 0.00016 -0.00802 63 4XY -0.00304 -0.00051 0.00001 0.00003 -0.00078 64 4XZ -0.00230 0.00405 -0.00011 -0.00039 -0.00010 65 4YZ 0.00385 -0.00387 0.00013 0.00110 0.00010 66 8 B 1S 0.02140 0.00000 0.00000 0.00000 0.03851 67 2S -0.01797 0.00000 0.00001 0.00000 -0.23790 68 2PX -0.13028 -0.01454 -0.00459 -0.15094 -0.22798 69 2PY 0.02125 -0.04131 -0.00384 -0.14759 0.22554 70 2PZ -0.01363 0.21027 -0.00639 -0.03926 0.02854 71 3S -0.41342 0.00006 -0.00011 -0.00001 0.47443 72 3PX -0.34372 -0.11253 -0.03546 -1.16764 0.33101 73 3PY 0.10444 -0.31952 -0.02969 -1.14176 -0.32743 74 3PZ -0.02247 1.62656 -0.04945 -0.30372 -0.04140 75 4XX 0.00763 -0.00048 -0.00015 -0.00499 -0.00734 76 4YY -0.01416 0.00135 0.00012 0.00483 -0.00736 77 4ZZ -0.00138 -0.00087 0.00003 0.00016 -0.00802 78 4XY 0.00304 -0.00051 0.00001 0.00003 -0.00078 79 4XZ 0.00230 0.00405 -0.00011 -0.00039 -0.00010 80 4YZ -0.00385 -0.00387 0.00013 0.00109 0.00010 81 9 B 1S 0.07147 0.00000 0.00000 0.00000 0.03851 82 2S -0.06001 0.00000 0.00000 0.00000 -0.23790 83 2PX 0.26591 0.00155 0.01069 -0.15254 0.22614 84 2PY 0.22748 -0.00013 0.04738 0.14904 0.22075 85 2PZ 0.05771 -0.00524 -0.20922 0.02591 0.06154 86 3S -1.38116 -0.00005 0.00018 -0.00009 0.47444 87 3PX 0.77583 0.01199 0.08277 -1.18014 -0.32827 88 3PY 0.68718 -0.00103 0.36663 1.15285 -0.32052 89 3PZ 0.17917 -0.04056 -1.61842 0.20045 -0.08941 90 4XX -0.00833 -0.00005 -0.00035 0.00500 -0.00735 91 4YY -0.01437 0.00000 -0.00152 -0.00477 -0.00739 92 4ZZ -0.00374 0.00005 0.00187 -0.00023 -0.00798 93 4XY -0.01030 -0.00003 -0.00109 0.00000 0.00076 94 4XZ -0.00354 0.00009 0.00391 0.00030 0.00021 95 4YZ -0.00447 0.00010 0.00362 -0.00125 0.00021 96 10 B 1S 0.00718 0.00000 0.00000 0.00000 0.03851 97 2S -0.00604 0.00000 0.00000 -0.00001 -0.23790 98 2PX -0.04160 0.15573 0.14711 -0.00365 -0.02353 99 2PY -0.07825 -0.14688 0.15080 -0.00610 -0.06364 100 2PZ 0.01744 -0.01805 0.04148 -0.00150 0.31474 101 3S -0.13863 0.00005 -0.00002 0.00007 0.47424 102 3PX -0.09311 1.20471 1.13808 -0.02821 0.03424 103 3PY -0.17675 -1.13624 1.16661 -0.04721 0.09245 104 3PZ 0.06536 -0.13958 0.32095 -0.01161 -0.45711 105 4XX 0.00056 0.00053 0.00050 -0.00001 -0.00802 106 4YY 0.00371 -0.00136 0.00139 -0.00006 -0.00797 107 4ZZ -0.00692 0.00082 -0.00190 0.00007 -0.00673 108 4XY 0.00211 0.00054 0.00108 -0.00003 0.00002 109 4XZ -0.00594 -0.00414 -0.00380 0.00009 -0.00011 110 4YZ -0.01053 0.00378 -0.00375 0.00015 -0.00030 111 11 H 1S -0.00250 0.00000 0.00000 0.00000 -0.16932 112 2S 0.17918 -0.00002 -0.00004 0.00002 -0.10872 113 3PX -0.00042 0.01428 0.01349 -0.00033 0.00139 114 3PY -0.00072 -0.01347 0.01383 -0.00056 0.00376 115 3PZ -0.00106 -0.00165 0.00381 -0.00014 -0.01859 116 12 H 1S 0.00250 0.00000 0.00000 0.00000 -0.16932 117 2S -0.17918 -0.00002 -0.00002 0.00001 -0.10872 118 3PX -0.00042 -0.01428 -0.01349 0.00033 -0.00139 119 3PY -0.00072 0.01347 -0.01383 0.00056 -0.00376 120 3PZ -0.00106 0.00165 -0.00381 0.00014 0.01859 36 37 38 39 40 V V V V V Eigenvalues -- 0.75035 0.75035 0.75035 0.85634 0.85634 1 1 H 1S 0.00000 0.00000 0.00000 0.10763 0.24059 2 2S 0.00003 -0.00034 -0.00004 0.44333 0.99145 3 3PX 0.00806 -0.00500 -0.00227 0.00329 0.00736 4 3PY -0.00948 0.00160 0.00266 0.00321 0.00718 5 3PZ 0.00439 0.01266 -0.00119 0.00090 0.00200 6 2 H 1S -0.00001 0.00000 0.00000 0.15455 -0.21349 7 2S -0.00013 0.00014 -0.00009 0.63667 -0.87980 8 3PX -0.00813 0.00406 0.00333 -0.00477 0.00658 9 3PY -0.00747 0.00396 0.00492 0.00471 -0.00651 10 3PZ -0.00590 0.00114 -0.01225 0.00060 -0.00082 11 3 H 1S -0.00001 -0.00001 0.00000 0.10762 0.24059 12 2S 0.00003 -0.00033 -0.00004 0.44332 0.99146 13 3PX -0.00806 0.00500 0.00227 -0.00329 -0.00736 14 3PY 0.00948 -0.00159 -0.00266 -0.00321 -0.00718 15 3PZ -0.00439 -0.01266 0.00119 -0.00090 -0.00200 16 4 H 1S -0.00001 0.00001 -0.00001 0.15455 -0.21350 17 2S -0.00013 0.00014 -0.00008 0.63667 -0.87982 18 3PX 0.00813 -0.00406 -0.00333 0.00477 -0.00658 19 3PY 0.00747 -0.00396 -0.00491 -0.00471 0.00651 20 3PZ 0.00590 -0.00114 0.01225 -0.00060 0.00082 21 5 B 1S 0.00000 -0.00001 -0.00001 -0.01403 -0.00145 22 2S -0.00002 -0.00002 -0.00002 0.06871 0.00710 23 2PX 0.23412 0.31160 0.29629 0.03954 0.00411 24 2PY 0.04426 0.30610 -0.36866 0.10682 0.01106 25 2PZ 0.02645 0.08520 -0.05237 -0.52831 -0.05458 26 3S 0.00027 0.00058 0.00034 -2.47695 -0.25598 27 3PX -0.25780 -0.34310 -0.32626 -0.23542 -0.02433 28 3PY -0.04869 -0.33697 0.40604 -0.63616 -0.06572 29 3PZ -0.02935 -0.09436 0.05738 3.14661 0.32518 30 4XX 0.03564 -0.01049 -0.00428 0.00803 0.00154 31 4YY -0.02893 0.02804 -0.00713 0.00359 0.00217 32 4ZZ -0.00670 -0.01754 0.01142 -0.11342 -0.01423 33 4XY 0.00596 0.01064 0.00403 0.00795 -0.09786 34 4XZ -0.02573 -0.03870 -0.03754 0.01261 -0.01859 35 4YZ -0.01198 -0.03190 0.04590 0.02930 -0.00394 36 6 B 1S 0.00000 0.00002 0.00000 0.00576 0.01286 37 2S -0.00001 0.00004 0.00000 -0.02820 -0.06306 38 2PX 0.28870 -0.17926 -0.08140 0.15582 0.34832 39 2PY -0.33960 0.05717 0.09530 0.15213 0.34008 40 2PZ 0.15736 0.45340 -0.04278 0.04240 0.09482 41 3S 0.00011 -0.00098 -0.00009 1.01674 2.27385 42 3PX -0.31800 0.19804 0.08972 -0.92799 -2.07518 43 3PY 0.37395 -0.06234 -0.10490 -0.90604 -2.02606 44 3PZ -0.17332 -0.49918 0.04714 -0.25257 -0.56494 45 4XX -0.04504 0.02733 0.00874 -0.01703 0.06757 46 4YY 0.05329 -0.00854 -0.00438 -0.01473 0.06327 47 4ZZ -0.00825 -0.01880 -0.00437 0.07354 -0.03741 48 4XY 0.00406 0.01038 -0.00502 0.07604 0.04447 49 4XZ -0.01276 -0.03570 0.03428 0.00736 0.01859 50 4YZ -0.01303 -0.04025 -0.02589 -0.01544 0.02827 51 7 B 1S 0.00001 -0.00001 0.00001 0.00827 -0.01141 52 2S 0.00000 -0.00001 0.00000 -0.04050 0.05596 53 2PX -0.29117 0.14541 0.11928 -0.22560 0.31164 54 2PY -0.26758 0.14180 0.17610 0.22320 -0.30831 55 2PZ -0.21134 0.04093 -0.43902 0.02827 -0.03901 56 3S -0.00034 0.00036 -0.00023 1.46018 -2.01780 57 3PX 0.32042 -0.15989 -0.13152 1.34365 -1.85658 58 3PY 0.29491 -0.15641 -0.19378 -1.32929 1.83687 59 3PZ 0.23278 -0.04511 0.48354 -0.16830 0.23245 60 4XX -0.04629 0.01893 0.01875 -0.00167 -0.07005 61 4YY 0.03662 -0.03059 -0.02567 0.00153 -0.06605 62 4ZZ 0.00966 0.01167 0.00692 0.06015 0.05319 63 4XY -0.00144 -0.00746 0.00605 -0.08126 0.03227 64 4XZ -0.00389 0.02791 -0.04347 -0.02221 -0.00455 65 4YZ 0.03246 0.01918 0.03359 -0.02095 -0.02658 66 8 B 1S 0.00001 -0.00001 0.00000 0.00827 -0.01141 67 2S 0.00000 -0.00001 0.00000 -0.04050 0.05595 68 2PX 0.29118 -0.14540 -0.11926 0.22559 -0.31164 69 2PY 0.26757 -0.14179 -0.17612 -0.22321 0.30828 70 2PZ 0.21134 -0.04093 0.43902 -0.02821 0.03903 71 3S -0.00033 0.00036 -0.00021 1.46019 -2.01779 72 3PX -0.32044 0.15988 0.13149 -1.34363 1.85656 73 3PY -0.29490 0.15640 0.19382 1.32933 -1.83681 74 3PZ -0.23278 0.04510 -0.48353 0.16821 -0.23248 75 4XX -0.04629 0.01893 0.01875 -0.00167 -0.07005 76 4YY 0.03663 -0.03059 -0.02567 0.00153 -0.06605 77 4ZZ 0.00966 0.01167 0.00692 0.06015 0.05319 78 4XY -0.00144 -0.00746 0.00605 -0.08126 0.03227 79 4XZ -0.00389 0.02791 -0.04347 -0.02221 -0.00454 80 4YZ 0.03246 0.01918 0.03359 -0.02095 -0.02658 81 9 B 1S 0.00000 0.00002 0.00000 0.00576 0.01286 82 2S -0.00001 0.00004 0.00000 -0.02820 -0.06306 83 2PX -0.28872 0.17924 0.08140 -0.15582 -0.34832 84 2PY 0.33959 -0.05719 -0.09529 -0.15212 -0.34008 85 2PZ -0.15736 -0.45340 0.04278 -0.04246 -0.09482 86 3S 0.00013 -0.00096 -0.00009 1.01678 2.27384 87 3PX 0.31803 -0.19801 -0.08971 0.92799 2.07517 88 3PY -0.37392 0.06237 0.10487 0.90604 2.02605 89 3PZ 0.17333 0.49919 -0.04714 0.25267 0.56493 90 4XX -0.04504 0.02733 0.00874 -0.01703 0.06757 91 4YY 0.05329 -0.00854 -0.00438 -0.01473 0.06328 92 4ZZ -0.00825 -0.01880 -0.00437 0.07354 -0.03741 93 4XY 0.00406 0.01038 -0.00502 0.07604 0.04447 94 4XZ -0.01276 -0.03570 0.03428 0.00736 0.01859 95 4YZ -0.01303 -0.04025 -0.02589 -0.01544 0.02826 96 10 B 1S 0.00000 -0.00001 -0.00001 -0.01403 -0.00145 97 2S -0.00002 -0.00002 -0.00002 0.06871 0.00710 98 2PX -0.23412 -0.31160 -0.29628 -0.03954 -0.00409 99 2PY -0.04425 -0.30610 0.36866 -0.10681 -0.01107 100 2PZ -0.02645 -0.08521 0.05237 0.52831 0.05461 101 3S 0.00027 0.00059 0.00033 -2.47694 -0.25612 102 3PX 0.25780 0.34311 0.32625 0.23541 0.02431 103 3PY 0.04869 0.33698 -0.40603 0.63615 0.06574 104 3PZ 0.02936 0.09438 -0.05738 -3.14661 -0.32535 105 4XX 0.03564 -0.01049 -0.00428 0.00803 0.00154 106 4YY -0.02893 0.02804 -0.00713 0.00359 0.00217 107 4ZZ -0.00670 -0.01754 0.01142 -0.11342 -0.01423 108 4XY 0.00596 0.01064 0.00403 0.00796 -0.09786 109 4XZ -0.02573 -0.03870 -0.03754 0.01261 -0.01859 110 4YZ -0.01198 -0.03190 0.04590 0.02930 -0.00393 111 11 H 1S 0.00000 0.00001 0.00000 -0.26217 -0.02710 112 2S 0.00009 0.00021 0.00011 -1.08000 -0.11168 113 3PX 0.00653 0.00870 0.00827 0.00084 0.00009 114 3PY 0.00124 0.00854 -0.01029 0.00226 0.00023 115 3PZ 0.00074 0.00238 -0.00146 -0.01116 -0.00115 116 12 H 1S 0.00000 0.00001 0.00000 -0.26217 -0.02709 117 2S 0.00009 0.00021 0.00011 -1.08001 -0.11162 118 3PX -0.00653 -0.00870 -0.00827 -0.00084 -0.00009 119 3PY -0.00124 -0.00854 0.01029 -0.00226 -0.00023 120 3PZ -0.00074 -0.00238 0.00146 0.01116 0.00115 41 42 43 44 45 V V V V V Eigenvalues -- 0.87265 0.87265 0.87265 0.89529 0.89529 1 1 H 1S 0.08788 0.10237 0.17633 -0.00003 0.00001 2 2S 0.45942 0.53553 0.92232 -0.00002 -0.00007 3 3PX 0.00964 0.01625 0.00224 0.00198 -0.00488 4 3PY 0.00529 -0.00637 0.01715 -0.00177 0.00497 5 3PZ -0.01584 0.00810 0.00768 -0.00095 0.00010 6 2 H 1S 0.05177 0.17451 -0.12712 0.00000 0.00002 7 2S 0.27100 0.91271 -0.66486 -0.00005 0.00012 8 3PX -0.00721 -0.01724 -0.00356 -0.00491 -0.00193 9 3PY 0.00118 0.00254 -0.01882 -0.00488 -0.00195 10 3PZ -0.01793 0.00740 -0.00003 -0.00061 0.00001 11 3 H 1S -0.08787 -0.10238 -0.17633 0.00003 0.00000 12 2S -0.45973 -0.53536 -0.92226 0.00025 -0.00012 13 3PX 0.00964 0.01625 0.00224 0.00198 -0.00488 14 3PY 0.00529 -0.00637 0.01715 -0.00177 0.00497 15 3PZ -0.01584 0.00810 0.00768 -0.00095 0.00010 16 4 H 1S -0.05178 -0.17451 0.12712 0.00000 -0.00003 17 2S -0.27065 -0.91280 0.66487 -0.00003 -0.00010 18 3PX -0.00721 -0.01724 -0.00356 -0.00491 -0.00193 19 3PY 0.00118 0.00254 -0.01882 -0.00488 -0.00195 20 3PZ -0.01793 0.00740 -0.00003 -0.00061 0.00001 21 5 B 1S -0.02259 0.01048 0.00518 0.00000 0.00000 22 2S 0.25732 -0.11930 -0.05897 0.00000 -0.00002 23 2PX 0.01276 0.03933 -0.25088 -0.23628 -0.54985 24 2PY 0.00200 -0.26879 -0.06145 -0.53738 0.24449 25 2PZ -0.57319 0.21498 0.10047 -0.12631 0.00833 26 3S -0.12043 0.05570 0.02746 -0.00015 0.00017 27 3PX -0.13730 0.05009 0.10548 0.41999 0.97731 28 3PY -0.36138 0.24751 0.10105 0.95511 -0.43454 29 3PZ 1.95568 -0.89142 -0.43882 0.22465 -0.01504 30 4XX -0.00183 -0.00132 0.01232 0.00056 0.00141 31 4YY 0.01026 0.02998 0.00555 0.00368 -0.00186 32 4ZZ -0.03802 -0.01494 -0.01109 -0.00424 0.00045 33 4XY 0.00480 0.00182 0.01916 0.01043 0.00819 34 4XZ -0.00813 0.02192 -0.08910 -0.00288 -0.00996 35 4YZ -0.03401 -0.07961 -0.01246 -0.00983 0.00539 36 6 B 1S -0.01006 -0.01173 -0.02020 0.00000 0.00000 37 2S 0.11466 0.13359 0.23009 -0.00003 0.00001 38 2PX -0.11808 -0.07288 -0.45806 -0.16028 0.39437 39 2PY -0.16853 -0.35831 -0.25390 0.14278 -0.40177 40 2PZ -0.27063 0.02775 -0.03335 0.07710 -0.00779 41 3S -0.05393 -0.06233 -0.10763 0.00023 -0.00020 42 3PX 0.60676 0.68730 1.28309 0.28461 -0.70076 43 3PY 0.60828 0.75654 1.19504 -0.25403 0.71423 44 3PZ 0.23627 0.17282 0.32199 -0.13710 0.01392 45 4XX 0.02074 0.05401 -0.06028 0.03195 0.02401 46 4YY -0.00426 -0.07785 0.02940 0.03634 0.00276 47 4ZZ -0.02966 0.00849 0.00443 -0.06828 -0.02678 48 4XY 0.01075 -0.01375 -0.01342 -0.04300 -0.01687 49 4XZ -0.05652 0.03012 0.00621 0.00122 0.00175 50 4YZ -0.05904 0.00860 0.02006 0.02308 0.00660 51 7 B 1S -0.00594 -0.01999 0.01456 0.00000 0.00000 52 2S 0.06756 0.22771 -0.16587 0.00000 0.00002 53 2PX 0.05106 0.26319 -0.39985 0.39664 0.15553 54 2PY -0.12731 -0.44781 0.10707 0.39468 0.15717 55 2PZ -0.24972 0.03470 0.04389 0.04926 -0.00049 56 3S -0.03129 -0.10664 0.07759 -0.00009 0.00002 57 3PX -0.35443 -1.22251 0.95248 -0.70500 -0.27650 58 3PY 0.37347 1.26539 -0.85638 -0.70140 -0.27931 59 3PZ 0.11700 0.13294 -0.11737 -0.08752 0.00090 60 4XX 0.02132 0.02948 0.07526 0.00381 -0.03959 61 4YY -0.01447 -0.05737 -0.05897 0.02236 -0.02748 62 4ZZ -0.01462 0.00171 0.00277 -0.02617 0.06707 63 4XY -0.00467 0.01350 -0.00629 0.01542 -0.03941 64 4XZ 0.06207 -0.02282 -0.00894 0.00681 -0.01705 65 4YZ -0.06399 0.01628 -0.00085 0.01218 -0.02704 66 8 B 1S 0.00592 0.01999 -0.01456 0.00000 0.00000 67 2S -0.06756 -0.22772 0.16587 0.00000 -0.00002 68 2PX 0.05103 0.26320 -0.39986 0.39664 0.15552 69 2PY -0.12728 -0.44783 0.10707 0.39468 0.15718 70 2PZ -0.24971 0.03470 0.04388 0.04926 -0.00049 71 3S 0.03203 0.10647 -0.07759 -0.00008 0.00003 72 3PX -0.35496 -1.22239 0.95248 -0.70488 -0.27653 73 3PY 0.37399 1.26527 -0.85638 -0.70153 -0.27928 74 3PZ 0.11706 0.13295 -0.11738 -0.08754 0.00090 75 4XX -0.02132 -0.02947 -0.07526 -0.00381 0.03959 76 4YY 0.01447 0.05737 0.05897 -0.02236 0.02748 77 4ZZ 0.01462 -0.00171 -0.00277 0.02617 -0.06707 78 4XY 0.00467 -0.01350 0.00629 -0.01542 0.03941 79 4XZ -0.06207 0.02282 0.00894 -0.00681 0.01704 80 4YZ 0.06399 -0.01628 0.00085 -0.01218 0.02704 81 9 B 1S 0.01008 0.01172 0.02020 -0.00001 0.00001 82 2S -0.11466 -0.13358 -0.23009 0.00003 -0.00001 83 2PX -0.11811 -0.07285 -0.45806 -0.16028 0.39436 84 2PY -0.16857 -0.35829 -0.25389 0.14278 -0.40179 85 2PZ -0.27063 0.02776 -0.03335 0.07710 -0.00780 86 3S 0.05329 0.06269 0.10776 0.00022 -0.00019 87 3PX 0.60630 0.68754 1.28318 0.28497 -0.70103 88 3PY 0.60784 0.75679 1.19514 -0.25368 0.71397 89 3PZ 0.23612 0.17287 0.32199 -0.13699 0.01385 90 4XX -0.02074 -0.05401 0.06028 -0.03195 -0.02401 91 4YY 0.00426 0.07785 -0.02940 -0.03634 -0.00276 92 4ZZ 0.02966 -0.00848 -0.00443 0.06829 0.02678 93 4XY -0.01075 0.01375 0.01342 0.04300 0.01687 94 4XZ 0.05652 -0.03012 -0.00621 -0.00122 -0.00175 95 4YZ 0.05904 -0.00860 -0.02006 -0.02308 -0.00660 96 10 B 1S 0.02259 -0.01047 -0.00518 0.00000 -0.00001 97 2S -0.25732 0.11930 0.05897 0.00000 0.00002 98 2PX 0.01277 0.03936 -0.25087 -0.23627 -0.54985 99 2PY 0.00200 -0.26879 -0.06142 -0.53737 0.24450 100 2PZ -0.57319 0.21497 0.10047 -0.12630 0.00835 101 3S 0.12034 -0.05588 -0.02759 -0.00014 0.00017 102 3PX -0.13731 0.05009 0.10548 0.41998 0.97730 103 3PY -0.36136 0.24756 0.10106 0.95517 -0.43464 104 3PZ 1.95559 -0.89161 -0.43896 0.22433 -0.01471 105 4XX 0.00183 0.00132 -0.01232 -0.00056 -0.00141 106 4YY -0.01026 -0.02998 -0.00555 -0.00368 0.00186 107 4ZZ 0.03802 0.01494 0.01109 0.00424 -0.00045 108 4XY -0.00480 -0.00181 -0.01916 -0.01043 -0.00820 109 4XZ 0.00813 -0.02192 0.08910 0.00288 0.00996 110 4YZ 0.03401 0.07961 0.01247 0.00983 -0.00539 111 11 H 1S 0.19721 -0.09143 -0.04519 -0.00001 -0.00002 112 2S 1.03145 -0.47826 -0.23639 -0.00009 0.00002 113 3PX -0.00340 0.00508 -0.01841 0.00293 0.00681 114 3PY -0.01171 -0.01530 -0.00203 0.00665 -0.00303 115 3PZ 0.01431 -0.01056 -0.00567 0.00156 -0.00010 116 12 H 1S -0.19721 0.09143 0.04519 0.00000 0.00001 117 2S -1.03149 0.47817 0.23632 -0.00006 0.00015 118 3PX -0.00340 0.00508 -0.01841 0.00293 0.00681 119 3PY -0.01171 -0.01530 -0.00203 0.00665 -0.00303 120 3PZ 0.01431 -0.01056 -0.00567 0.00156 -0.00010 46 47 48 49 50 V V V V V Eigenvalues -- 0.89530 0.90470 0.90471 1.02132 1.02133 1 1 H 1S -0.00002 0.02602 -0.05943 0.00000 0.00000 2 2S -0.00018 -1.32919 3.03331 0.00006 -0.00008 3 3PX 0.00070 -0.00175 0.00400 0.00001 0.00004 4 3PY 0.00130 -0.00171 0.00391 0.00000 0.00017 5 3PZ -0.00727 -0.00048 0.00109 -0.00002 -0.00075 6 2 H 1S 0.00000 0.03842 0.05227 0.00000 0.00000 7 2S 0.00012 -1.96230 -2.66782 0.00001 0.00011 8 3PX 0.00007 0.00261 0.00355 -0.00005 -0.00002 9 3PY -0.00087 -0.00258 -0.00351 -0.00015 -0.00001 10 3PZ 0.00741 -0.00033 -0.00044 0.00075 -0.00002 11 3 H 1S 0.00004 0.02602 -0.05943 0.00000 -0.00001 12 2S 0.00008 -1.32922 3.03330 0.00006 -0.00011 13 3PX 0.00070 0.00175 -0.00400 -0.00001 -0.00004 14 3PY 0.00130 0.00171 -0.00390 0.00000 -0.00017 15 3PZ -0.00727 0.00048 -0.00109 0.00002 0.00075 16 4 H 1S 0.00001 0.03842 0.05227 -0.00001 0.00000 17 2S 0.00020 -1.96231 -2.66781 -0.00002 0.00011 18 3PX 0.00007 -0.00261 -0.00355 0.00005 0.00002 19 3PY -0.00087 0.00258 0.00351 0.00015 0.00001 20 3PZ 0.00741 0.00033 0.00044 -0.00075 0.00002 21 5 B 1S 0.00000 -0.14339 0.01592 0.00000 0.00000 22 2S 0.00000 -0.00241 0.00029 -0.00001 0.00000 23 2PX 0.06266 0.01510 -0.00165 0.49791 0.47424 24 2PY 0.03533 0.04087 -0.00446 -0.47346 0.48206 25 2PZ 0.01181 -0.20229 0.02243 -0.05847 0.13294 26 3S -0.00021 6.62902 -0.73593 -0.00005 0.00001 27 3PX -0.11135 0.51763 -0.05746 -1.33454 -1.27111 28 3PY -0.06278 1.39896 -0.15538 1.26897 -1.29206 29 3PZ -0.02075 -6.91956 0.76844 0.15680 -0.35635 30 4XX -0.00080 0.04544 -0.00518 -0.00708 -0.00674 31 4YY -0.00186 0.04463 -0.00529 0.01819 -0.01852 32 4ZZ 0.00265 0.02325 -0.00211 -0.01111 0.02526 33 4XY 0.08758 0.00163 0.01826 -0.00716 -0.01447 34 4XZ 0.01898 0.00235 0.00345 0.05510 0.05094 35 4YZ 0.00688 0.00537 0.00070 -0.05064 0.04994 36 6 B 1S 0.00001 0.05790 -0.13214 0.00000 0.00000 37 2S -0.00004 0.00097 -0.00222 0.00000 -0.00002 38 2PX -0.05691 0.05866 -0.13397 0.00478 0.03393 39 2PY -0.10529 0.05731 -0.13079 -0.00098 0.15246 40 2PZ 0.58717 0.01595 -0.03644 -0.01404 -0.67152 41 3S -0.00009 -2.67699 6.10911 0.00006 -0.00015 42 3PX 0.10114 2.00760 -4.58130 -0.01287 -0.09077 43 3PY 0.18716 1.96002 -4.47275 0.00255 -0.40848 44 3PZ -1.04361 0.54649 -1.24717 0.03761 1.79990 45 4XX -0.00599 -0.02111 0.02813 0.00065 0.00463 46 4YY -0.00675 -0.02067 0.02891 -0.00013 0.02032 47 4ZZ 0.01274 -0.00398 0.04739 -0.00052 -0.02495 48 4XY 0.00305 0.01401 -0.00816 0.00029 0.01462 49 4XZ 0.00829 0.00132 -0.00342 -0.00101 -0.05220 50 4YZ 0.00529 -0.00295 -0.00520 -0.00110 -0.04840 51 7 B 1S 0.00000 0.08548 0.11622 0.00000 0.00000 52 2S -0.00001 0.00143 0.00195 -0.00001 0.00001 53 2PX -0.00567 -0.08736 -0.11877 -0.04667 -0.01532 54 2PY 0.07011 0.08640 0.11755 -0.13261 -0.01323 55 2PZ -0.59896 0.01095 0.01484 0.67495 -0.01783 56 3S 0.00033 -3.95206 -5.37293 -0.00001 0.00012 57 3PX 0.01039 -2.98805 -4.06223 0.12507 0.04119 58 3PY -0.12486 2.95623 4.01901 0.35545 0.03530 59 3PZ 1.06454 0.37415 0.50867 -1.80906 0.04777 60 4XX 0.00132 -0.02655 -0.02273 0.00642 0.00211 61 4YY 0.00283 -0.02596 -0.02348 -0.01806 -0.00180 62 4ZZ -0.00414 -0.01506 -0.04563 0.01163 -0.00030 63 4XY 0.00018 -0.01504 -0.00569 0.00687 -0.00015 64 4XZ 0.00942 -0.00411 0.00092 -0.05410 0.00126 65 4YZ -0.00773 -0.00390 0.00496 0.05174 -0.00153 66 8 B 1S -0.00001 0.08548 0.11622 0.00000 0.00000 67 2S 0.00001 0.00143 0.00196 0.00000 0.00001 68 2PX -0.00566 0.08736 0.11875 0.04668 0.01532 69 2PY 0.07011 -0.08641 -0.11755 0.13260 0.01323 70 2PZ -0.59896 -0.01098 -0.01493 -0.67496 0.01783 71 3S 0.00032 -3.95210 -5.37290 -0.00003 0.00012 72 3PX 0.00988 2.98803 4.06225 -0.12511 -0.04121 73 3PY -0.12435 -2.95623 -4.01901 -0.35542 -0.03533 74 3PZ 1.06460 -0.37416 -0.50864 1.80906 -0.04777 75 4XX -0.00131 -0.02655 -0.02272 0.00642 0.00211 76 4YY -0.00282 -0.02596 -0.02348 -0.01806 -0.00180 77 4ZZ 0.00415 -0.01505 -0.04564 0.01163 -0.00030 78 4XY -0.00019 -0.01504 -0.00569 0.00687 -0.00015 79 4XZ -0.00942 -0.00412 0.00090 -0.05410 0.00126 80 4YZ 0.00772 -0.00389 0.00497 0.05174 -0.00153 81 9 B 1S 0.00000 0.05790 -0.13214 0.00000 0.00000 82 2S 0.00004 0.00096 -0.00222 0.00000 -0.00002 83 2PX -0.05693 -0.05870 0.13399 -0.00478 -0.03394 84 2PY -0.10531 -0.05731 0.13076 0.00098 -0.15247 85 2PZ 0.58715 -0.01593 0.03644 0.01404 0.67152 86 3S -0.00012 -2.67710 6.10907 0.00006 -0.00017 87 3PX 0.10101 -2.00753 4.58125 0.01289 0.09081 88 3PY 0.18703 -1.96005 4.47284 -0.00257 0.40851 89 3PZ -1.04363 -0.54649 1.24704 -0.03762 -1.79989 90 4XX 0.00599 -0.02111 0.02813 0.00065 0.00463 91 4YY 0.00674 -0.02067 0.02890 -0.00013 0.02032 92 4ZZ -0.01274 -0.00398 0.04739 -0.00052 -0.02495 93 4XY -0.00303 0.01401 -0.00817 0.00029 0.01462 94 4XZ -0.00829 0.00132 -0.00341 -0.00101 -0.05220 95 4YZ -0.00529 -0.00295 -0.00519 -0.00110 -0.04840 96 10 B 1S 0.00000 -0.14338 0.01593 0.00000 0.00000 97 2S 0.00000 -0.00242 0.00024 -0.00001 0.00000 98 2PX 0.06265 -0.01508 0.00164 -0.49790 -0.47426 99 2PY 0.03531 -0.04090 0.00452 0.47345 -0.48207 100 2PZ 0.01185 0.20227 -0.02253 0.05847 -0.13294 101 3S -0.00021 6.62898 -0.73634 -0.00005 0.00002 102 3PX -0.11131 -0.51768 0.05748 1.33452 1.27113 103 3PY -0.06267 -1.39892 0.15528 -1.26896 1.29208 104 3PZ -0.02129 6.91957 -0.76836 -0.15679 0.35633 105 4XX 0.00079 0.04544 -0.00518 -0.00708 -0.00674 106 4YY 0.00186 0.04463 -0.00529 0.01819 -0.01852 107 4ZZ -0.00266 0.02325 -0.00211 -0.01111 0.02526 108 4XY -0.08758 0.00163 0.01825 -0.00716 -0.01448 109 4XZ -0.01898 0.00235 0.00345 0.05510 0.05094 110 4YZ -0.00688 0.00537 0.00070 -0.05064 0.04994 111 11 H 1S -0.00001 -0.06446 0.00717 0.00000 0.00000 112 2S -0.00013 3.29169 -0.36548 -0.00003 0.00002 113 3PX -0.00077 -0.00045 0.00005 0.00056 0.00053 114 3PY -0.00043 -0.00122 0.00013 -0.00053 0.00054 115 3PZ -0.00015 0.00604 -0.00067 -0.00007 0.00015 116 12 H 1S -0.00001 -0.06446 0.00715 0.00000 0.00000 117 2S -0.00012 3.29168 -0.36559 -0.00004 0.00003 118 3PX -0.00077 0.00045 -0.00005 -0.00056 -0.00053 119 3PY -0.00043 0.00122 -0.00014 0.00053 -0.00054 120 3PZ -0.00015 -0.00604 0.00067 0.00007 -0.00015 51 52 53 54 55 V V V V V Eigenvalues -- 1.02133 1.12306 1.15622 1.15622 1.15622 1 1 H 1S 0.00000 -0.26494 -0.05378 0.00706 0.06348 2 2S 0.00006 1.07568 -1.18387 0.15519 1.39557 3 3PX -0.00055 0.02788 -0.01413 -0.00657 0.00790 4 3PY 0.00053 0.02722 -0.00679 0.01075 0.01175 5 3PZ 0.00009 0.00759 0.00637 -0.00523 0.01119 6 2 H 1S 0.00000 -0.26494 -0.03578 -0.07208 -0.02230 7 2S -0.00003 1.07567 -0.78633 -1.58556 -0.49079 8 3PX -0.00054 -0.02811 0.01180 0.01235 -0.00391 9 3PY -0.00053 0.02781 -0.00191 -0.01198 -0.01254 10 3PZ -0.00014 0.00352 0.00929 -0.00841 0.00540 11 3 H 1S 0.00000 -0.26494 0.05378 -0.00705 -0.06348 12 2S 0.00006 1.07568 1.18383 -0.15514 -1.39561 13 3PX 0.00055 -0.02788 -0.01413 -0.00658 0.00790 14 3PY -0.00053 -0.02722 -0.00678 0.01075 0.01175 15 3PZ -0.00009 -0.00759 0.00637 -0.00523 0.01120 16 4 H 1S 0.00001 -0.26494 0.03579 0.07207 0.02231 17 2S -0.00002 1.07566 0.78637 1.58553 0.49081 18 3PX 0.00054 0.02811 0.01180 0.01235 -0.00391 19 3PY 0.00053 -0.02781 -0.00191 -0.01198 -0.01254 20 3PZ 0.00014 -0.00352 0.00929 -0.00841 0.00540 21 5 B 1S 0.00000 -0.05339 -0.01242 0.00976 -0.01163 22 2S 0.00000 -0.08390 0.62582 -0.49166 0.58544 23 2PX -0.01215 -0.01369 -0.08807 0.36503 0.37902 24 2PY -0.01991 -0.03695 -0.41872 -0.27524 0.15803 25 2PZ -0.00493 0.18277 0.02224 -0.11749 0.16650 26 3S -0.00008 -0.71993 -2.08744 1.63995 -1.95288 27 3PX 0.03255 0.05441 0.23641 -0.73569 -0.63654 28 3PY 0.05333 0.14688 0.97490 0.35723 -0.10992 29 3PZ 0.01335 -0.72643 -1.01345 0.98210 -1.21909 30 4XX 0.00017 0.12019 -0.00066 -0.00130 -0.00344 31 4YY 0.00076 0.10703 0.00609 0.00523 -0.00341 32 4ZZ -0.00093 -0.25058 0.01047 -0.01642 0.02172 33 4XY 0.00043 -0.00651 0.00250 -0.00265 -0.00402 34 4XZ -0.00129 0.03220 -0.00510 0.01836 0.01655 35 4YZ -0.00208 0.08704 -0.02234 -0.01008 0.00373 36 6 B 1S 0.00000 -0.05339 -0.01265 0.00166 0.01490 37 2S 0.00001 -0.08387 0.63674 -0.08346 -0.75080 38 2PX -0.48968 0.13131 0.26623 0.29707 0.03090 39 2PY 0.47822 0.12821 -0.01605 -0.38619 -0.12874 40 2PZ 0.08371 0.03577 -0.32986 0.21639 -0.34795 41 3S 0.00011 -0.71984 -2.12394 0.27840 2.50432 42 3PX 1.31237 -0.52203 -1.20570 -0.45908 0.78047 43 3PY -1.28187 -0.50971 -0.66409 0.80884 1.05741 44 3PZ -0.22441 -0.14220 0.41968 -0.37691 0.87494 45 4XX -0.06685 -0.07019 0.01960 0.01698 -0.00281 46 4YY 0.06374 -0.06118 0.00275 -0.02269 -0.01174 47 4ZZ 0.00311 0.10802 -0.00617 0.00359 -0.00453 48 4XY 0.00001 -0.21699 0.01414 -0.00404 -0.01027 49 4XZ -0.00391 -0.06049 -0.00713 0.00989 -0.01347 50 4YZ 0.01670 -0.05906 -0.00951 0.00340 -0.01462 51 7 B 1S 0.00000 -0.05339 -0.00840 -0.01693 -0.00524 52 2S 0.00000 -0.08388 0.42310 0.85287 0.26401 53 2PX -0.48445 -0.13240 -0.27044 -0.09480 0.27546 54 2PY -0.47370 0.13098 -0.11690 0.08432 0.37410 55 2PZ -0.12609 0.01656 -0.39042 0.28219 -0.22798 56 3S -0.00001 -0.71984 -1.41119 -2.84489 -0.88063 57 3PX 1.29845 0.52635 0.97871 1.13599 -0.21499 58 3PY 1.26967 -0.52070 -0.25368 -1.10627 -0.98937 59 3PZ 0.33797 -0.06584 0.66618 -0.64474 0.38656 60 4XX 0.06668 -0.07335 0.01872 0.01099 -0.01470 61 4YY -0.06450 -0.06921 -0.00427 0.01017 0.02359 62 4ZZ -0.00218 0.11921 -0.00370 0.00051 -0.00219 63 4XY -0.00045 0.22350 -0.00918 -0.01418 -0.00598 64 4XZ 0.00520 0.02829 0.01171 -0.01110 0.00868 65 4YZ -0.01463 -0.02799 -0.01324 0.01095 -0.00581 66 8 B 1S 0.00000 -0.05339 0.00839 0.01693 0.00524 67 2S 0.00000 -0.08387 -0.42306 -0.85290 -0.26399 68 2PX 0.48445 0.13240 -0.27044 -0.09480 0.27546 69 2PY 0.47370 -0.13098 -0.11689 0.08432 0.37410 70 2PZ 0.12609 -0.01658 -0.39041 0.28220 -0.22797 71 3S -0.00001 -0.71985 1.41112 2.84493 0.88060 72 3PX -1.29844 -0.52635 0.97869 1.13601 -0.21501 73 3PY -1.26968 0.52070 -0.25365 -1.10629 -0.98937 74 3PZ -0.33797 0.06590 0.66615 -0.64481 0.38654 75 4XX 0.06668 -0.07335 -0.01872 -0.01099 0.01470 76 4YY -0.06450 -0.06921 0.00427 -0.01017 -0.02359 77 4ZZ -0.00218 0.11921 0.00370 -0.00051 0.00219 78 4XY -0.00045 0.22350 0.00918 0.01418 0.00598 79 4XZ 0.00520 0.02829 -0.01172 0.01110 -0.00868 80 4YZ -0.01463 -0.02799 0.01324 -0.01094 0.00581 81 9 B 1S 0.00000 -0.05339 0.01265 -0.00166 -0.01490 82 2S 0.00001 -0.08387 -0.63677 0.08349 0.75077 83 2PX 0.48968 -0.13131 0.26622 0.29707 0.03090 84 2PY -0.47822 -0.12821 -0.01605 -0.38619 -0.12875 85 2PZ -0.08371 -0.03576 -0.32987 0.21639 -0.34795 86 3S 0.00011 -0.71984 2.12399 -0.27845 -2.50427 87 3PX -1.31237 0.52203 -1.20572 -0.45905 0.78044 88 3PY 1.28186 0.50972 -0.66414 0.80888 1.05742 89 3PZ 0.22441 0.14216 0.41973 -0.37691 0.87487 90 4XX -0.06685 -0.07019 -0.01960 -0.01698 0.00281 91 4YY 0.06374 -0.06118 -0.00275 0.02269 0.01174 92 4ZZ 0.00311 0.10802 0.00617 -0.00358 0.00453 93 4XY 0.00002 -0.21699 -0.01414 0.00404 0.01026 94 4XZ -0.00391 -0.06049 0.00712 -0.00990 0.01347 95 4YZ 0.01670 -0.05906 0.00951 -0.00340 0.01462 96 10 B 1S 0.00000 -0.05339 0.01242 -0.00976 0.01163 97 2S 0.00000 -0.08390 -0.62583 0.49165 -0.58543 98 2PX 0.01215 0.01369 -0.08808 0.36502 0.37903 99 2PY 0.01991 0.03696 -0.41873 -0.27523 0.15804 100 2PZ 0.00493 -0.18277 0.02223 -0.11749 0.16650 101 3S -0.00008 -0.71991 2.08746 -1.63995 1.95286 102 3PX -0.03256 -0.05441 0.23641 -0.73571 -0.63653 103 3PY -0.05333 -0.14689 0.97491 0.35723 -0.10990 104 3PZ -0.01335 0.72642 -1.01346 0.98210 -1.21908 105 4XX 0.00017 0.12019 0.00066 0.00130 0.00344 106 4YY 0.00076 0.10704 -0.00609 -0.00523 0.00341 107 4ZZ -0.00093 -0.25058 -0.01047 0.01642 -0.02172 108 4XY 0.00043 -0.00651 -0.00250 0.00265 0.00403 109 4XZ -0.00129 0.03220 0.00510 -0.01836 -0.01655 110 4YZ -0.00208 0.08704 0.02234 0.01008 -0.00373 111 11 H 1S 0.00000 -0.26493 -0.05291 0.04157 -0.04945 112 2S -0.00007 1.07554 -1.16328 0.91388 -1.08844 113 3PX -0.00001 -0.00290 0.00299 -0.00986 -0.00892 114 3PY -0.00002 -0.00785 0.01267 0.00539 -0.00211 115 3PZ -0.00001 0.03881 -0.01064 0.01090 -0.01365 116 12 H 1S 0.00000 -0.26492 0.05291 -0.04157 0.04945 117 2S -0.00008 1.07555 1.16327 -0.91388 1.08845 118 3PX 0.00001 0.00290 0.00299 -0.00986 -0.00892 119 3PY 0.00002 0.00785 0.01267 0.00539 -0.00211 120 3PZ 0.00001 -0.03881 -0.01064 0.01090 -0.01365 56 57 58 59 60 V V V V V Eigenvalues -- 1.22289 1.22289 1.22290 1.25014 1.33908 1 1 H 1S 0.23086 -0.33635 0.60768 0.00000 0.27894 2 2S -0.65619 0.95608 -1.72754 0.00000 -0.50640 3 3PX -0.01364 0.02560 -0.02982 0.00000 -0.01970 4 3PY -0.01470 0.01109 -0.03628 0.00000 -0.01924 5 3PZ 0.00692 0.00589 -0.01275 0.00000 -0.00536 6 2 H 1S 0.00175 0.64065 0.35393 0.00001 0.37561 7 2S -0.00498 -1.82124 -1.00608 -0.00002 -0.68190 8 3PX -0.00317 0.03953 0.01358 0.00000 0.02675 9 3PY -0.00464 -0.03243 -0.02547 0.00000 -0.02647 10 3PZ 0.00973 -0.00187 -0.00732 0.00000 -0.00335 11 3 H 1S -0.23088 0.33634 -0.60768 0.00000 0.27894 12 2S 0.65618 -0.95609 1.72754 0.00000 -0.50639 13 3PX -0.01364 0.02560 -0.02982 0.00000 0.01970 14 3PY -0.01470 0.01109 -0.03628 0.00000 0.01924 15 3PZ 0.00692 0.00589 -0.01275 0.00000 0.00536 16 4 H 1S -0.00174 -0.64064 -0.35393 -0.00001 0.37561 17 2S 0.00499 1.82125 1.00607 0.00002 -0.68190 18 3PX -0.00317 0.03953 0.01358 0.00000 -0.02675 19 3PY -0.00464 -0.03243 -0.02547 0.00000 0.02647 20 3PZ 0.00973 -0.00187 -0.00732 0.00000 0.00335 21 5 B 1S 0.09487 0.01505 -0.02771 0.00000 0.00524 22 2S 0.35558 0.05648 -0.10391 0.00000 0.35808 23 2PX 0.00178 0.12047 -0.03804 0.00000 -0.03712 24 2PY 0.05102 -0.02433 -0.13440 0.00000 -0.10034 25 2PZ -0.39233 -0.05980 0.08764 0.00000 0.49633 26 3S -1.18303 -0.18793 0.34574 0.00000 -1.17551 27 3PX -0.24669 0.27451 -0.02573 0.00000 0.04161 28 3PY -0.54586 -0.17112 -0.15236 -0.00001 0.11246 29 3PZ 2.33453 0.37667 -0.75226 0.00001 -0.55628 30 4XX -0.10196 -0.00820 0.02729 0.28606 0.05095 31 4YY -0.09321 -0.02060 0.00579 -0.27631 0.04443 32 4ZZ 0.23806 0.03561 -0.04561 -0.00975 -0.13431 33 4XY 0.00200 0.01153 -0.00904 -0.00216 -0.00807 34 4XZ -0.01524 -0.06391 0.02263 0.02427 0.01512 35 4YZ -0.06489 0.00656 0.07739 -0.06467 0.04312 36 6 B 1S -0.03153 0.04594 -0.08300 0.00000 -0.00223 37 2S -0.11829 0.17224 -0.31109 0.00000 -0.15260 38 2PX 0.08359 -0.05904 0.28653 0.00000 -0.15196 39 2PY 0.06646 -0.20980 0.20130 0.00000 -0.14836 40 2PZ 0.13909 -0.02793 0.02729 0.00000 -0.04136 41 3S 0.39353 -0.57306 1.03502 0.00000 0.50094 42 3PX -0.58380 1.01429 -1.36331 0.00001 0.17031 43 3PY -0.60947 0.59325 -1.53581 -0.00001 0.16627 44 3PZ 0.14455 0.24532 -0.50358 0.00000 0.04637 45 4XX -0.01800 -0.01378 -0.08978 -0.02978 0.04134 46 4YY -0.00615 0.07927 -0.03255 0.07964 0.03741 47 4ZZ 0.00988 -0.04472 0.08481 -0.04986 -0.06215 48 4XY -0.05295 0.09618 -0.17297 -0.02946 0.01938 49 4XZ -0.05914 0.01555 -0.03760 0.23202 0.01333 50 4YZ -0.05622 0.03043 -0.02885 -0.22161 0.02596 51 7 B 1S -0.00024 -0.08751 -0.04834 0.00000 -0.00301 52 2S -0.00086 -0.32798 -0.18126 0.00000 -0.20548 53 2PX -0.03646 -0.21883 -0.21130 0.00000 0.20630 54 2PY -0.04895 0.28951 0.07727 0.00000 -0.20410 55 2PZ 0.10676 0.06107 -0.03504 0.00000 -0.02583 56 3S 0.00290 1.09121 0.60307 -0.00001 0.67454 57 3PX -0.08909 1.67281 0.68824 0.00002 -0.23121 58 3PY -0.13388 -1.46444 -1.02466 0.00000 0.22875 59 3PZ 0.27775 -0.12144 -0.24667 0.00001 0.02895 60 4XX -0.02318 -0.04264 -0.08166 0.02954 0.04631 61 4YY 0.03141 -0.08618 0.00496 0.07795 0.04279 62 4ZZ -0.00834 0.08926 0.05485 -0.10749 -0.06677 63 4XY -0.00479 0.18332 0.10380 0.06275 -0.04182 64 4XZ 0.04131 0.03228 -0.00350 -0.22337 0.00168 65 4YZ -0.03692 -0.03533 0.00959 -0.21006 0.02342 66 8 B 1S 0.00024 0.08751 0.04834 0.00000 -0.00301 67 2S 0.00089 0.32799 0.18125 0.00000 -0.20548 68 2PX -0.03646 -0.21883 -0.21129 0.00000 -0.20630 69 2PY -0.04895 0.28951 0.07727 0.00000 0.20410 70 2PZ 0.10676 0.06108 -0.03504 0.00000 0.02584 71 3S -0.00293 -1.09122 -0.60306 0.00001 0.67454 72 3PX -0.08910 1.67280 0.68825 0.00000 0.23122 73 3PY -0.13386 -1.46444 -1.02466 -0.00002 -0.22876 74 3PZ 0.27775 -0.12149 -0.24670 -0.00001 -0.02896 75 4XX 0.02318 0.04264 0.08166 -0.02954 0.04631 76 4YY -0.03141 0.08618 -0.00496 -0.07795 0.04279 77 4ZZ 0.00834 -0.08926 -0.05485 0.10749 -0.06677 78 4XY 0.00479 -0.18332 -0.10380 -0.06275 -0.04182 79 4XZ -0.04131 -0.03229 0.00350 0.22337 0.00168 80 4YZ 0.03692 0.03533 -0.00959 0.21006 0.02343 81 9 B 1S 0.03153 -0.04594 0.08300 0.00000 -0.00223 82 2S 0.11826 -0.17225 0.31109 0.00000 -0.15259 83 2PX 0.08358 -0.05904 0.28653 0.00000 0.15197 84 2PY 0.06646 -0.20981 0.20131 0.00000 0.14837 85 2PZ 0.13908 -0.02792 0.02728 0.00000 0.04136 86 3S -0.39349 0.57308 -1.03502 0.00000 0.50094 87 3PX -0.58382 1.01427 -1.36330 -0.00001 -0.17032 88 3PY -0.60950 0.59326 -1.53582 0.00002 -0.16628 89 3PZ 0.14458 0.24529 -0.50353 0.00000 -0.04636 90 4XX 0.01800 0.01378 0.08978 0.02978 0.04134 91 4YY 0.00614 -0.07927 0.03255 -0.07964 0.03741 92 4ZZ -0.00988 0.04472 -0.08481 0.04986 -0.06216 93 4XY 0.05295 -0.09618 0.17297 0.02946 0.01938 94 4XZ 0.05914 -0.01555 0.03760 -0.23202 0.01333 95 4YZ 0.05622 -0.03043 0.02885 0.22161 0.02596 96 10 B 1S -0.09487 -0.01505 0.02771 0.00000 0.00524 97 2S -0.35558 -0.05648 0.10392 0.00000 0.35808 98 2PX 0.00179 0.12048 -0.03803 0.00000 0.03712 99 2PY 0.05103 -0.02433 -0.13440 0.00000 0.10034 100 2PZ -0.39233 -0.05980 0.08764 0.00000 -0.49633 101 3S 1.18303 0.18793 -0.34575 0.00000 -1.17551 102 3PX -0.24671 0.27450 -0.02578 0.00000 -0.04161 103 3PY -0.54589 -0.17108 -0.15237 0.00000 -0.11247 104 3PZ 2.33453 0.37667 -0.75226 0.00001 0.55627 105 4XX 0.10196 0.00820 -0.02729 -0.28606 0.05095 106 4YY 0.09321 0.02060 -0.00579 0.27631 0.04443 107 4ZZ -0.23806 -0.03561 0.04561 0.00975 -0.13431 108 4XY -0.00200 -0.01152 0.00904 0.00216 -0.00806 109 4XZ 0.01524 0.06391 -0.02263 -0.02427 0.01512 110 4YZ 0.06489 -0.00656 -0.07739 0.06466 0.04312 111 11 H 1S -0.69454 -0.11019 0.20288 0.00000 -0.65457 112 2S 1.97447 0.31315 -0.57670 0.00001 1.18834 113 3PX -0.00651 0.00995 -0.00153 0.00000 -0.00482 114 3PY -0.01335 -0.00508 -0.00702 0.00000 -0.01301 115 3PZ 0.05324 0.00867 -0.01802 0.00000 0.06436 116 12 H 1S 0.69454 0.11019 -0.20288 0.00000 -0.65457 117 2S -1.97447 -0.31315 0.57670 -0.00001 1.18834 118 3PX -0.00651 0.00995 -0.00153 0.00000 0.00482 119 3PY -0.01335 -0.00508 -0.00702 0.00000 0.01301 120 3PZ 0.05324 0.00867 -0.01802 0.00000 -0.06436 61 62 63 64 65 V V V V V Eigenvalues -- 1.33908 1.56032 1.56033 1.56033 1.58825 1 1 H 1S -0.59477 -0.00001 0.00003 -0.00001 0.03535 2 2S 1.07972 0.00010 -0.00021 0.00019 -0.87082 3 3PX 0.04201 0.00445 -0.00360 0.05549 0.00460 4 3PY 0.04102 -0.00065 -0.01726 -0.05437 0.00449 5 3PZ 0.01144 -0.01400 0.07512 -0.00887 0.00124 6 2 H 1S 0.53896 -0.00002 -0.00002 0.00002 0.05289 7 2S -0.97841 0.00005 0.00008 -0.00011 -1.30295 8 3PX 0.03839 -0.00903 -0.00303 -0.05451 -0.00694 9 3PY -0.03797 -0.01854 -0.00468 -0.05256 0.00686 10 3PZ -0.00481 0.07432 0.01286 -0.02010 0.00087 11 3 H 1S -0.59477 -0.00001 0.00001 -0.00002 0.03535 12 2S 1.07972 0.00010 -0.00024 0.00018 -0.87082 13 3PX -0.04201 -0.00445 0.00360 -0.05549 -0.00460 14 3PY -0.04102 0.00065 0.01726 0.05437 -0.00449 15 3PZ -0.01144 0.01400 -0.07512 0.00887 -0.00124 16 4 H 1S 0.53896 -0.00001 -0.00002 0.00002 0.05289 17 2S -0.97841 0.00008 0.00008 -0.00011 -1.30296 18 3PX -0.03839 0.00903 0.00303 0.05451 0.00694 19 3PY 0.03798 0.01854 0.00469 0.05256 -0.00686 20 3PZ 0.00481 -0.07432 -0.01286 0.02010 -0.00087 21 5 B 1S -0.00045 0.00001 0.00000 0.00000 -0.08475 22 2S -0.03054 0.00013 -0.00011 0.00006 -1.81909 23 2PX 0.00316 0.20696 -0.14314 -0.00756 -0.02724 24 2PY 0.00855 -0.14305 -0.20125 0.01630 -0.07366 25 2PZ -0.04231 -0.01347 -0.05136 0.00271 0.36438 26 3S 0.10027 -0.00072 0.00065 -0.00035 10.08518 27 3PX -0.00354 -0.13091 0.09059 0.00476 0.50261 28 3PY -0.00958 0.09036 0.12739 -0.01034 1.35841 29 3PZ 0.04738 0.00897 0.03207 -0.00148 -6.71923 30 4XX -0.00394 -0.00959 0.03400 0.34437 0.03906 31 4YY -0.00275 0.03711 0.06892 -0.33811 0.03587 32 4ZZ 0.01000 -0.02752 -0.10292 -0.00626 -0.04315 33 4XY -0.05616 -0.03601 0.05055 -0.00222 0.01932 34 4XZ -0.01275 0.24123 -0.15932 0.02019 0.01142 35 4YZ -0.00769 -0.16638 -0.22260 -0.05948 0.02092 36 6 B 1S 0.00476 0.00000 0.00001 -0.00001 0.03395 37 2S 0.32539 -0.00009 0.00025 -0.00015 0.72870 38 2PX 0.32403 -0.01430 0.01156 -0.17872 -0.10487 39 2PY 0.31635 0.00211 0.05556 0.17514 -0.10238 40 2PZ 0.08820 0.04508 -0.24197 0.02857 -0.02854 41 3S -1.06836 0.00046 -0.00119 0.00079 -4.04010 42 3PX -0.36304 0.00886 -0.00678 0.11266 1.93385 43 3PY -0.35444 -0.00157 -0.03463 -0.11112 1.88807 44 3PZ -0.09883 -0.02857 0.15319 -0.01817 0.52640 45 4XX -0.02952 0.01467 0.02287 -0.25850 -0.07212 46 4YY -0.02639 -0.09115 0.06098 0.25140 -0.06636 47 4ZZ 0.02054 0.07649 -0.08386 0.00710 0.12575 48 4XY -0.11098 0.02498 0.06157 -0.00189 0.10673 49 4XZ -0.02723 -0.24011 -0.24639 0.00218 0.00393 50 4YZ -0.02052 0.29874 -0.13622 0.04453 -0.03834 51 7 B 1S -0.00431 -0.00001 0.00000 0.00001 0.05080 52 2S -0.29486 -0.00010 -0.00006 0.00010 1.09032 53 2PX 0.29602 0.02909 0.00974 0.17560 0.15820 54 2PY -0.29288 0.05972 0.01512 0.16926 -0.15650 55 2PZ -0.03706 -0.23940 -0.04141 0.06475 -0.01982 56 3S 0.96810 0.00044 0.00033 -0.00051 -6.04500 57 3PX -0.33167 -0.01821 -0.00599 -0.11129 -2.91724 58 3PY 0.32814 -0.03796 -0.00968 -0.10683 2.88613 59 3PZ 0.04152 0.15139 0.02619 -0.04092 0.36529 60 4XX 0.02364 -0.03573 -0.04904 -0.25272 -0.06085 61 4YY 0.02356 0.10194 -0.07070 0.24429 -0.05401 62 4ZZ -0.01515 -0.06621 0.11974 0.00843 0.09582 63 4XY -0.10734 -0.01241 -0.07882 0.00562 -0.09990 64 4XZ -0.01844 0.15511 0.29993 -0.04246 -0.03461 65 4YZ 0.00076 -0.23602 0.21602 0.06472 -0.04484 66 8 B 1S -0.00431 0.00000 0.00000 0.00000 0.05080 67 2S -0.29486 0.00000 -0.00004 0.00006 1.09033 68 2PX -0.29602 -0.02908 -0.00972 -0.17560 -0.15820 69 2PY 0.29288 -0.05972 -0.01510 -0.16926 0.15650 70 2PZ 0.03707 0.23940 0.04142 -0.06475 0.01982 71 3S 0.96811 0.00012 0.00028 -0.00039 -6.04505 72 3PX 0.33166 0.01832 0.00604 0.11125 2.91724 73 3PY -0.32813 0.03784 0.00970 0.10687 -2.88614 74 3PZ -0.04154 -0.15141 -0.02617 0.04093 -0.36535 75 4XX 0.02364 -0.03573 -0.04905 -0.25272 -0.06085 76 4YY 0.02356 0.10193 -0.07069 0.24428 -0.05401 77 4ZZ -0.01515 -0.06620 0.11974 0.00844 0.09581 78 4XY -0.10734 -0.01243 -0.07882 0.00562 -0.09990 79 4XZ -0.01844 0.15510 0.29993 -0.04245 -0.03460 80 4YZ 0.00076 -0.23603 0.21603 0.06472 -0.04484 81 9 B 1S 0.00476 0.00000 0.00000 -0.00001 0.03395 82 2S 0.32540 -0.00007 0.00014 -0.00016 0.72873 83 2PX -0.32403 0.01432 -0.01155 0.17872 0.10487 84 2PY -0.31635 -0.00213 -0.05555 -0.17514 0.10239 85 2PZ -0.08819 -0.04508 0.24198 -0.02857 0.02853 86 3S -1.06836 0.00040 -0.00085 0.00084 -4.04028 87 3PX 0.36303 -0.00885 0.00691 -0.11266 -1.93388 88 3PY 0.35444 0.00151 0.03474 0.11115 -1.88812 89 3PZ 0.09881 0.02856 -0.15314 0.01818 -0.52637 90 4XX -0.02952 0.01467 0.02288 -0.25851 -0.07212 91 4YY -0.02639 -0.09116 0.06099 0.25140 -0.06636 92 4ZZ 0.02054 0.07649 -0.08387 0.00711 0.12575 93 4XY -0.11098 0.02498 0.06155 -0.00189 0.10673 94 4XZ -0.02723 -0.24011 -0.24639 0.00218 0.00394 95 4YZ -0.02052 0.29874 -0.13622 0.04453 -0.03834 96 10 B 1S -0.00045 0.00001 -0.00001 0.00000 -0.08475 97 2S -0.03053 0.00013 -0.00014 0.00006 -1.81907 98 2PX -0.00316 -0.20696 0.14315 0.00756 0.02724 99 2PY -0.00855 0.14304 0.20126 -0.01629 0.07367 100 2PZ 0.04234 0.01347 0.05136 -0.00271 -0.36438 101 3S 0.10025 -0.00071 0.00075 -0.00036 10.08511 102 3PX 0.00355 0.13094 -0.09055 -0.00477 -0.50263 103 3PY 0.00959 -0.09040 -0.12737 0.01036 -1.35844 104 3PZ -0.04745 -0.00898 -0.03201 0.00149 6.71920 105 4XX -0.00394 -0.00959 0.03400 0.34437 0.03906 106 4YY -0.00275 0.03711 0.06892 -0.33811 0.03587 107 4ZZ 0.01001 -0.02752 -0.10292 -0.00626 -0.04315 108 4XY -0.05616 -0.03601 0.05054 -0.00222 0.01931 109 4XZ -0.01275 0.24124 -0.15930 0.02019 0.01142 110 4YZ -0.00769 -0.16639 -0.22259 -0.05947 0.02092 111 11 H 1S 0.05582 0.00002 -0.00003 0.00001 -0.08824 112 2S -0.10135 -0.00016 0.00017 -0.00009 2.17388 113 3PX 0.00041 -0.06425 0.04444 0.00235 0.00119 114 3PY 0.00111 0.04441 0.06248 -0.00506 0.00323 115 3PZ -0.00549 0.00417 0.01596 -0.00085 -0.01597 116 12 H 1S 0.05580 0.00002 -0.00003 0.00001 -0.08824 117 2S -0.10129 -0.00016 0.00017 -0.00008 2.17388 118 3PX -0.00041 0.06425 -0.04444 -0.00235 -0.00119 119 3PY -0.00111 -0.04441 -0.06248 0.00506 -0.00323 120 3PZ 0.00549 -0.00417 -0.01596 0.00085 0.01597 66 67 68 69 70 V V V V V Eigenvalues -- 1.58826 1.67917 1.75931 1.75931 1.75932 1 1 H 1S -0.08149 0.48727 0.21354 -0.22225 0.35796 2 2S 2.00734 -0.38848 0.31323 -0.32601 0.52516 3 3PX -0.01060 -0.03276 -0.02614 -0.00444 -0.07564 4 3PY -0.01034 -0.03199 -0.01892 0.07050 -0.03156 5 3PZ -0.00288 -0.00891 -0.06224 -0.00118 0.01195 6 2 H 1S 0.07136 0.48726 -0.00082 0.40110 0.24951 7 2S -1.75787 -0.38848 -0.00121 0.58840 0.36600 8 3PX -0.00935 0.03303 0.02355 0.03825 0.06687 9 3PY 0.00926 -0.03268 0.03017 -0.07381 -0.00805 10 3PZ 0.00117 -0.00414 -0.04843 -0.02730 0.02779 11 3 H 1S -0.08149 0.48727 -0.21354 0.22225 -0.35796 12 2S 2.00734 -0.38848 -0.31319 0.32603 -0.52517 13 3PX 0.01060 0.03276 -0.02614 -0.00443 -0.07564 14 3PY 0.01034 0.03198 -0.01892 0.07050 -0.03156 15 3PZ 0.00288 0.00893 -0.06224 -0.00118 0.01195 16 4 H 1S 0.07136 0.48726 0.00082 -0.40109 -0.24951 17 2S -1.75787 -0.38848 0.00118 -0.58842 -0.36598 18 3PX 0.00935 -0.03303 0.02355 0.03825 0.06687 19 3PY -0.00926 0.03268 0.03017 -0.07381 -0.00805 20 3PZ -0.00117 0.00413 -0.04843 -0.02730 0.02779 21 5 B 1S 0.00973 0.02008 -0.15800 -0.04253 0.06785 22 2S 0.20874 -0.25588 -1.83317 -0.49347 0.78720 23 2PX 0.00311 0.01369 0.17324 -0.49190 0.08164 24 2PY 0.00844 0.03699 0.17638 0.14747 0.46546 25 2PZ -0.04182 -0.18296 -0.01803 -0.02494 0.12884 26 3S -1.15718 0.21458 5.03732 1.35610 -2.16324 27 3PX -0.05763 -0.00501 0.48467 -0.66279 0.02205 28 3PY -0.15581 -0.01364 0.87824 0.38398 0.41967 29 3PZ 0.77114 0.06749 -3.08667 -0.86033 1.50377 30 4XX -0.00581 0.15528 0.12564 0.01637 -0.04887 31 4YY -0.00743 0.14254 0.12485 0.04245 -0.00632 32 4ZZ 0.00960 -0.20413 -0.16871 -0.03680 0.02006 33 4XY 0.18123 -0.00633 0.00728 -0.02376 0.01594 34 4XZ 0.03564 0.03121 -0.01827 0.12936 -0.02901 35 4YZ 0.01052 0.08438 0.02477 -0.01959 -0.13956 36 6 B 1S -0.07826 0.02008 0.08008 -0.08334 0.13423 37 2S -1.67974 -0.25585 0.92912 -0.96696 1.55742 38 2PX 0.24176 -0.13145 0.05853 -0.33299 -0.17375 39 2PY 0.23601 -0.12834 0.11517 0.31629 0.19364 40 2PZ 0.06581 -0.03578 -0.45533 -0.09085 0.23323 41 3S 9.31296 0.21443 -2.55318 2.65715 -4.27960 42 3PX -4.45779 0.04855 1.20004 -1.65041 1.61154 43 3PY -4.35216 0.04738 1.25784 -0.66606 2.10916 44 3PZ -1.21351 0.01316 -0.36723 -0.44980 0.85290 45 4XX -0.03494 -0.02927 -0.00157 0.08665 0.08205 46 4YY -0.03028 -0.02054 -0.02270 -0.10978 -0.03767 47 4ZZ 0.09457 0.14348 -0.01718 0.06627 -0.11386 48 4XY -0.00691 -0.21035 0.05708 -0.08976 0.14307 49 4XZ -0.01315 -0.05863 0.10348 0.00726 0.00729 50 4YZ -0.03116 -0.05723 0.09803 -0.02445 -0.01068 51 7 B 1S 0.06853 0.02008 -0.00031 0.15040 0.09357 52 2S 1.47097 -0.25586 -0.00359 1.74506 1.08562 53 2PX 0.21343 0.13252 0.20266 -0.20938 0.23943 54 2PY -0.21118 -0.13112 0.25725 -0.10207 0.26185 55 2PZ -0.02672 -0.01661 -0.41559 -0.16637 0.27849 56 3S -8.15542 0.21447 0.00989 -4.79523 -2.98326 57 3PX -3.93565 -0.04890 0.30284 -2.41886 -0.95962 58 3PY 3.89384 0.04841 0.37475 1.93694 1.68473 59 3PZ 0.49277 0.00617 -0.61319 0.01919 0.57402 60 4XX 0.05021 -0.03232 0.06382 -0.03284 0.09628 61 4YY 0.04395 -0.02832 -0.07975 0.06205 -0.06282 62 4ZZ -0.11986 0.15433 0.01609 -0.10706 -0.08189 63 4XY 0.01145 0.21665 0.01098 -0.15102 -0.10104 64 4XZ 0.01775 0.02745 -0.07999 -0.04682 0.03142 65 4YZ 0.04107 -0.02714 0.06910 0.05348 -0.04219 66 8 B 1S 0.06853 0.02008 0.00031 -0.15040 -0.09356 67 2S 1.47096 -0.25585 0.00356 -1.74508 -1.08558 68 2PX -0.21342 -0.13253 0.20266 -0.20939 0.23944 69 2PY 0.21118 0.13112 0.25726 -0.10206 0.26185 70 2PZ 0.02674 0.01659 -0.41559 -0.16636 0.27849 71 3S -8.15539 0.21444 -0.00979 4.79528 2.98315 72 3PX 3.93564 0.04892 0.30284 -2.41885 -0.95961 73 3PY -3.89384 -0.04843 0.37474 1.93694 1.68471 74 3PZ -0.49286 -0.00613 -0.61320 0.01925 0.57406 75 4XX 0.05021 -0.03233 -0.06382 0.03284 -0.09627 76 4YY 0.04395 -0.02833 0.07976 -0.06205 0.06282 77 4ZZ -0.11986 0.15434 -0.01609 0.10706 0.08188 78 4XY 0.01145 0.21665 -0.01098 0.15102 0.10104 79 4XZ 0.01775 0.02742 0.07999 0.04684 -0.03143 80 4YZ 0.04107 -0.02711 -0.06910 -0.05348 0.04218 81 9 B 1S -0.07826 0.02008 -0.08007 0.08334 -0.13423 82 2S -1.67973 -0.25585 -0.92908 0.96697 -1.55744 83 2PX -0.24176 0.13145 0.05852 -0.33300 -0.17375 84 2PY -0.23602 0.12834 0.11516 0.31628 0.19365 85 2PZ -0.06579 0.03580 -0.45534 -0.09085 0.23322 86 3S 9.31288 0.21443 2.55307 -2.65717 4.27966 87 3PX 4.45777 -0.04855 1.20005 -1.65038 1.61155 88 3PY 4.35219 -0.04738 1.25787 -0.66608 2.10918 89 3PZ 1.21339 -0.01320 -0.36728 -0.44977 0.85285 90 4XX -0.03494 -0.02927 0.00157 -0.08664 -0.08205 91 4YY -0.03028 -0.02053 0.02270 0.10977 0.03766 92 4ZZ 0.09456 0.14348 0.01718 -0.06627 0.11387 93 4XY -0.00691 -0.21034 -0.05708 0.08977 -0.14307 94 4XZ -0.01315 -0.05866 -0.10348 -0.00728 -0.00729 95 4YZ -0.03116 -0.05726 -0.09803 0.02446 0.01069 96 10 B 1S 0.00973 0.02008 0.15800 0.04253 -0.06785 97 2S 0.20882 -0.25588 1.83316 0.49348 -0.78722 98 2PX -0.00311 -0.01368 0.17324 -0.49190 0.08163 99 2PY -0.00844 -0.03698 0.17638 0.14748 0.46545 100 2PZ 0.04183 0.18296 -0.01803 -0.02493 0.12885 101 3S -1.15781 0.21459 -5.03731 -1.35612 2.16329 102 3PX 0.05764 0.00501 0.48471 -0.66277 0.02213 103 3PY 0.15584 0.01362 0.87829 0.38390 0.41968 104 3PZ -0.77127 -0.06748 -3.08666 -0.86036 1.50379 105 4XX -0.00582 0.15528 -0.12564 -0.01637 0.04887 106 4YY -0.00744 0.14254 -0.12484 -0.04244 0.00632 107 4ZZ 0.00961 -0.20414 0.16871 0.03679 -0.02006 108 4XY 0.18123 -0.00628 -0.00727 0.02377 -0.01595 109 4XZ 0.03565 0.03121 0.01828 -0.12935 0.02904 110 4YZ 0.01052 0.08437 -0.02476 0.01956 0.13957 111 11 H 1S 0.01014 0.48725 -0.42136 -0.11342 0.18094 112 2S -0.24950 -0.38845 -0.61810 -0.16633 0.26538 113 3PX -0.00013 0.00341 0.01331 -0.05934 0.01241 114 3PY -0.00037 0.00922 0.00229 0.01224 0.06233 115 3PZ 0.00183 -0.04560 0.08873 0.02153 -0.02395 116 12 H 1S 0.01012 0.48725 0.42136 0.11342 -0.18094 117 2S -0.24951 -0.38846 0.61809 0.16632 -0.26539 118 3PX 0.00013 -0.00341 0.01331 -0.05934 0.01242 119 3PY 0.00037 -0.00922 0.00230 0.01224 0.06233 120 3PZ -0.00183 0.04560 0.08874 0.02153 -0.02395 71 72 73 74 75 V V V V V Eigenvalues -- 1.76366 1.76367 1.76367 2.00272 2.00272 1 1 H 1S 0.00025 0.00081 0.00074 0.00001 -0.00001 2 2S 0.00038 0.00118 0.00115 -0.00002 0.00001 3 3PX 0.03878 -0.07151 -0.01217 -0.07554 0.00000 4 3PY -0.04908 0.06594 -0.01708 0.07144 0.02507 5 3PZ 0.03333 0.02532 0.10517 0.02125 -0.08989 6 2 H 1S -0.00031 0.00027 0.00027 0.00000 0.00000 7 2S -0.00043 0.00039 0.00046 0.00000 0.00001 8 3PX 0.06681 0.04115 -0.02188 0.07421 0.01044 9 3PY 0.07028 0.04224 -0.00792 0.07275 0.01658 10 3PZ -0.02101 -0.00577 -0.11280 0.01786 -0.04762 11 3 H 1S -0.00027 -0.00080 -0.00080 0.00001 -0.00001 12 2S -0.00038 -0.00118 -0.00112 -0.00002 0.00002 13 3PX 0.03877 -0.07151 -0.01218 0.07554 0.00000 14 3PY -0.04909 0.06594 -0.01709 -0.07144 -0.02506 15 3PZ 0.03333 0.02533 0.10517 -0.02125 0.08989 16 4 H 1S 0.00029 -0.00027 -0.00033 0.00000 0.00000 17 2S 0.00044 -0.00039 -0.00042 0.00001 0.00000 18 3PX 0.06681 0.04115 -0.02188 -0.07421 -0.01044 19 3PY 0.07028 0.04224 -0.00793 -0.07275 -0.01658 20 3PZ -0.02100 -0.00577 -0.11280 -0.01786 0.04761 21 5 B 1S 0.00019 -0.00006 -0.00003 0.00000 0.00000 22 2S 0.00225 -0.00075 -0.00030 0.00000 0.00001 23 2PX -0.14242 0.04145 0.04639 -0.01067 0.03067 24 2PY -0.02874 -0.14555 0.03457 -0.00700 0.10348 25 2PZ -0.01638 -0.02635 0.01047 -0.00221 0.02321 26 3S -0.00618 0.00204 0.00086 -0.00002 0.00001 27 3PX 0.15945 -0.04499 -0.05068 0.01946 -0.05592 28 3PY 0.03112 0.16449 -0.03628 0.01277 -0.18867 29 3PZ 0.02229 0.02855 -0.01172 0.00404 -0.04233 30 4XX 0.03263 -0.00849 -0.00690 0.53904 0.03861 31 4YY 0.02004 0.08885 -0.01182 -0.51102 -0.13941 32 4ZZ -0.05277 -0.08033 0.01873 -0.02802 0.10079 33 4XY -0.11353 -0.06720 -0.47290 0.00278 -0.03588 34 4XZ -0.27526 0.05881 -0.01415 0.01868 0.07787 35 4YZ -0.05507 -0.24576 0.02191 -0.13776 0.24068 36 6 B 1S 0.00010 0.00030 0.00028 0.00000 0.00000 37 2S 0.00113 0.00347 0.00335 -0.00001 0.00003 38 2PX 0.05269 -0.09664 -0.01643 0.07888 0.00002 39 2PY -0.06660 0.08964 -0.02267 -0.07463 -0.02617 40 2PZ 0.04556 0.03418 0.14226 -0.02220 0.09388 41 3S -0.00313 -0.00953 -0.00911 0.00007 -0.00012 42 3PX -0.05673 0.11149 0.02192 -0.14384 0.00002 43 3PY 0.07467 -0.09487 0.03000 0.13603 0.04774 44 3PZ -0.04895 -0.03729 -0.15740 0.04046 -0.17115 45 4XX -0.05788 -0.31002 0.04444 0.25136 0.02677 46 4YY -0.29129 0.08913 0.02413 -0.23429 -0.15258 47 4ZZ 0.34912 0.22073 -0.06873 -0.01707 0.12581 48 4XY 0.18271 0.11931 -0.14111 0.00563 -0.02145 49 4XZ 0.06915 0.00785 0.17063 -0.01102 -0.03661 50 4YZ -0.06886 0.00839 0.20952 -0.06757 0.35381 51 7 B 1S -0.00011 0.00010 0.00011 0.00000 0.00000 52 2S -0.00129 0.00117 0.00131 0.00000 -0.00001 53 2PX 0.09060 0.05611 -0.02918 -0.07751 -0.01089 54 2PY 0.09503 0.05777 -0.01012 -0.07598 -0.01731 55 2PZ -0.02789 -0.00781 -0.15247 -0.01865 0.04973 56 3S 0.00356 -0.00325 -0.00352 -0.00005 0.00008 57 3PX -0.09881 -0.06232 0.03241 0.14130 0.01990 58 3PY -0.10724 -0.06116 0.01446 0.13853 0.03155 59 3PZ 0.03246 0.00885 0.17021 0.03400 -0.09066 60 4XX -0.08586 -0.29952 0.05300 0.25412 -0.01384 61 4YY 0.29604 -0.03925 -0.03254 -0.22342 -0.18324 62 4ZZ -0.21012 0.33872 -0.02053 -0.03071 0.19708 63 4XY 0.11213 -0.20286 -0.03520 0.01228 -0.09139 64 4XZ 0.10169 -0.06993 0.17858 -0.03181 0.27390 65 4YZ 0.06223 -0.13959 -0.19648 -0.09705 0.43305 66 8 B 1S 0.00011 -0.00010 -0.00011 0.00000 0.00000 67 2S 0.00129 -0.00117 -0.00126 0.00000 0.00000 68 2PX 0.09060 0.05610 -0.02917 0.07751 0.01090 69 2PY 0.09503 0.05777 -0.01013 0.07598 0.01732 70 2PZ -0.02790 -0.00780 -0.15247 0.01865 -0.04973 71 3S -0.00356 0.00325 0.00351 -0.00004 0.00005 72 3PX -0.09881 -0.06232 0.03241 -0.14130 -0.01989 73 3PY -0.10724 -0.06116 0.01445 -0.13853 -0.03154 74 3PZ 0.03247 0.00883 0.17021 -0.03401 0.09067 75 4XX 0.08586 0.29951 -0.05301 0.25412 -0.01385 76 4YY -0.29605 0.03926 0.03254 -0.22343 -0.18323 77 4ZZ 0.21013 -0.33872 0.02052 -0.03069 0.19708 78 4XY -0.11213 0.20286 0.03516 0.01227 -0.09138 79 4XZ -0.10170 0.06994 -0.17858 -0.03177 0.27390 80 4YZ -0.06223 0.13957 0.19648 -0.09701 0.43305 81 9 B 1S -0.00010 -0.00030 -0.00029 0.00000 0.00000 82 2S -0.00112 -0.00347 -0.00330 -0.00001 0.00000 83 2PX 0.05269 -0.09663 -0.01643 -0.07888 -0.00002 84 2PY -0.06660 0.08964 -0.02268 0.07463 0.02617 85 2PZ 0.04555 0.03418 0.14227 0.02220 -0.09388 86 3S 0.00311 0.00956 0.00908 0.00008 -0.00007 87 3PX -0.05675 0.11150 0.02191 0.14384 0.00000 88 3PY 0.07465 -0.09486 0.02999 -0.13603 -0.04774 89 3PZ -0.04894 -0.03728 -0.15741 -0.04045 0.17115 90 4XX 0.05788 0.31001 -0.04444 0.25136 0.02677 91 4YY 0.29128 -0.08913 -0.02413 -0.23428 -0.15258 92 4ZZ -0.34911 -0.22072 0.06872 -0.01708 0.12580 93 4XY -0.18271 -0.11931 0.14115 0.00563 -0.02144 94 4XZ -0.06914 -0.00785 -0.17063 -0.01098 -0.03660 95 4YZ 0.06886 -0.00838 -0.20953 -0.06761 0.35380 96 10 B 1S -0.00019 0.00006 0.00003 0.00000 0.00000 97 2S -0.00225 0.00075 0.00034 0.00000 0.00000 98 2PX -0.14242 0.04144 0.04640 0.01067 -0.03068 99 2PY -0.02876 -0.14554 0.03458 0.00700 -0.10348 100 2PZ -0.01639 -0.02635 0.01044 0.00221 -0.02321 101 3S 0.00619 -0.00206 -0.00088 -0.00002 0.00002 102 3PX 0.15945 -0.04499 -0.05068 -0.01946 0.05592 103 3PY 0.03112 0.16449 -0.03629 -0.01276 0.18867 104 3PZ 0.02231 0.02854 -0.01170 -0.00404 0.04232 105 4XX -0.03263 0.00849 0.00688 0.53904 0.03860 106 4YY -0.02004 -0.08885 0.01180 -0.51102 -0.13940 107 4ZZ 0.05277 0.08033 -0.01871 -0.02802 0.10080 108 4XY 0.11353 0.06720 0.47290 0.00278 -0.03588 109 4XZ 0.27525 -0.05880 0.01414 0.01868 0.07786 110 4YZ 0.05508 0.24576 -0.02192 -0.13775 0.24067 111 11 H 1S 0.00052 -0.00017 -0.00010 0.00000 0.00000 112 2S 0.00078 -0.00026 -0.00009 0.00000 -0.00001 113 3PX -0.10557 0.03038 0.03408 0.01022 -0.02937 114 3PY -0.02120 -0.10814 0.02505 0.00670 -0.09909 115 3PZ -0.01229 -0.01955 0.00763 0.00212 -0.02223 116 12 H 1S -0.00053 0.00018 0.00005 0.00000 0.00000 117 2S -0.00076 0.00025 0.00014 0.00000 0.00000 118 3PX -0.10557 0.03038 0.03407 -0.01022 0.02937 119 3PY -0.02120 -0.10814 0.02505 -0.00671 0.09909 120 3PZ -0.01229 -0.01955 0.00763 -0.00212 0.02223 76 77 78 79 80 V V V V V Eigenvalues -- 2.00272 2.04875 2.04875 2.04875 2.11688 1 1 H 1S 0.00000 -0.00793 -0.00617 0.05678 0.00000 2 2S 0.00001 0.07013 0.05455 -0.50061 0.00001 3 3PX -0.00191 -0.01335 -0.13138 -0.04252 0.00000 4 3PY 0.01539 -0.03096 0.13738 -0.01508 0.00000 5 3PZ -0.04820 0.18667 0.01059 0.02010 0.00000 6 2 H 1S 0.00000 -0.00130 -0.05729 -0.00642 0.00000 7 2S 0.00000 0.01140 0.50515 0.05666 -0.00002 8 3PX -0.00130 0.00407 -0.01102 -0.13719 0.00001 9 3PY -0.01305 -0.01879 0.04120 -0.13146 0.00000 10 3PZ 0.09270 0.19043 0.00015 -0.01050 0.00000 11 3 H 1S 0.00000 0.00792 0.00618 -0.05678 0.00000 12 2S 0.00001 -0.07003 -0.05457 0.50062 -0.00001 13 3PX 0.00191 -0.01335 -0.13138 -0.04252 0.00000 14 3PY -0.01540 -0.03096 0.13738 -0.01508 0.00000 15 3PZ 0.04821 0.18666 0.01059 0.02011 0.00000 16 4 H 1S 0.00000 0.00131 0.05729 0.00642 0.00000 17 2S 0.00002 -0.01151 -0.50515 -0.05664 0.00002 18 3PX 0.00130 0.00407 -0.01102 -0.13719 0.00000 19 3PY 0.01305 -0.01879 0.04120 -0.13146 0.00000 20 3PZ -0.09270 0.19043 0.00015 -0.01050 -0.00001 21 5 B 1S 0.00000 -0.05515 0.00209 -0.00749 0.00000 22 2S 0.00000 0.45821 -0.01735 0.06226 0.00000 23 2PX 0.10568 0.03792 0.02495 0.03812 0.00000 24 2PY -0.03242 0.10702 -0.03670 0.04037 0.00000 25 2PZ 0.00134 -0.55352 0.01636 -0.06748 0.00000 26 3S 0.00006 0.67047 -0.02547 0.09092 0.00000 27 3PX -0.19268 -0.06919 0.21381 0.25459 -0.00001 28 3PY 0.05911 -0.15051 -0.25569 0.18634 0.00001 29 3PZ -0.00247 0.55069 -0.05789 0.13644 0.00000 30 4XX 0.00502 0.03735 0.03653 0.05250 0.57468 31 4YY -0.00963 0.02390 -0.12781 0.10360 -0.55509 32 4ZZ 0.00461 0.05764 0.08677 -0.13996 -0.01959 33 4XY -0.04856 -0.01166 0.03252 0.09384 -0.00434 34 4XZ 0.27238 0.03750 -0.29798 -0.35445 0.04878 35 4YZ -0.09232 0.05073 0.35002 -0.26250 -0.12992 36 6 B 1S 0.00000 -0.00767 -0.00597 0.05485 0.00000 37 2S 0.00002 0.06380 0.04969 -0.45553 0.00002 38 2PX 0.00199 -0.05149 -0.01343 0.39833 -0.00001 39 2PY -0.01607 -0.04633 -0.07165 0.38307 -0.00001 40 2PZ 0.05035 -0.05593 -0.01386 0.10146 0.00000 41 3S -0.00007 0.09338 0.07250 -0.66696 0.00000 42 3PX -0.00363 0.08583 0.28042 -0.37016 0.00001 43 3PY 0.02933 0.11542 -0.19501 -0.40804 0.00002 44 3PZ -0.09179 -0.31242 -0.00546 -0.15668 0.00000 45 4XX -0.04302 -0.04616 -0.40421 -0.08983 0.02496 46 4YY 0.08217 -0.09699 0.40439 -0.00904 -0.06672 47 4ZZ -0.03915 0.15969 0.01271 -0.01936 0.04176 48 4XY -0.07469 -0.09019 0.00601 -0.00742 0.02468 49 4XZ 0.47753 0.31806 -0.04703 0.04065 -0.19436 50 4YZ -0.28515 0.30198 0.08118 0.05235 0.18563 51 7 B 1S 0.00000 -0.00125 -0.05534 -0.00620 0.00000 52 2S 0.00001 0.01045 0.45967 0.05155 -0.00003 53 2PX 0.00136 0.00809 0.39812 0.07461 -0.00001 54 2PY 0.01363 -0.00473 -0.40055 -0.01492 0.00001 55 2PZ -0.09680 -0.04307 -0.04957 -0.00323 0.00000 56 3S -0.00003 0.01504 0.67294 0.07546 0.00000 57 3PX -0.00248 -0.01755 -0.43345 0.19131 0.00002 58 3PY -0.02486 0.04345 0.37538 0.28224 -0.00002 59 3PZ 0.17650 -0.33471 0.05644 0.02491 0.00000 60 4XX -0.03059 -0.01344 -0.00747 0.41638 -0.03461 61 4YY -0.02615 -0.05797 0.08558 -0.40359 -0.09129 62 4ZZ 0.05674 0.07412 0.04119 0.00058 0.12590 63 4XY -0.07840 0.04261 0.00332 0.00316 -0.07349 64 4XZ 0.37741 -0.33623 0.00938 -0.01046 0.26162 65 4YZ 0.01302 0.32935 -0.00258 -0.04893 0.24603 66 8 B 1S 0.00000 0.00126 0.05534 0.00620 0.00000 67 2S -0.00001 -0.01038 -0.45967 -0.05156 0.00003 68 2PX -0.00136 0.00810 0.39812 0.07461 -0.00002 69 2PY -0.01363 -0.00474 -0.40055 -0.01492 0.00001 70 2PZ 0.09681 -0.04307 -0.04957 -0.00323 0.00000 71 3S 0.00002 -0.01559 -0.67291 -0.07538 0.00000 72 3PX 0.00248 -0.01730 -0.43346 0.19128 0.00001 73 3PY 0.02486 0.04320 0.37539 0.28228 -0.00003 74 3PZ -0.17649 -0.33474 0.05647 0.02492 0.00000 75 4XX -0.03059 0.01343 0.00747 -0.41639 0.03461 76 4YY -0.02615 0.05796 -0.08557 0.40359 0.09129 77 4ZZ 0.05675 -0.07410 -0.04120 -0.00058 -0.12590 78 4XY -0.07842 -0.04263 -0.00332 -0.00316 0.07349 79 4XZ 0.37742 0.33623 -0.00938 0.01046 -0.26162 80 4YZ 0.01303 -0.32936 0.00259 0.04892 -0.24604 81 9 B 1S 0.00000 0.00766 0.00597 -0.05485 0.00000 82 2S 0.00000 -0.06386 -0.04967 0.45553 -0.00002 83 2PX -0.00200 -0.05148 -0.01343 0.39833 -0.00001 84 2PY 0.01607 -0.04632 -0.07165 0.38308 -0.00001 85 2PZ -0.05035 -0.05593 -0.01386 0.10145 0.00000 86 3S -0.00004 -0.09284 -0.07259 0.66702 0.00000 87 3PX 0.00362 0.08607 0.28037 -0.37013 0.00001 88 3PY -0.02931 0.11565 -0.19505 -0.40802 0.00002 89 3PZ 0.09179 -0.31236 -0.00547 -0.15664 0.00000 90 4XX -0.04303 0.04617 0.40421 0.08983 -0.02496 91 4YY 0.08218 0.09700 -0.40438 0.00904 0.06673 92 4ZZ -0.03915 -0.15971 -0.01271 0.01937 -0.04176 93 4XY -0.07468 0.09017 -0.00601 0.00741 -0.02468 94 4XZ 0.47753 -0.31807 0.04705 -0.04065 0.19437 95 4YZ -0.28515 -0.30198 -0.08119 -0.05234 -0.18564 96 10 B 1S 0.00000 0.05515 -0.00209 0.00749 0.00000 97 2S -0.00001 -0.45822 0.01734 -0.06224 0.00000 98 2PX -0.10568 0.03792 0.02494 0.03812 0.00000 99 2PY 0.03242 0.10702 -0.03670 0.04037 0.00000 100 2PZ -0.00134 -0.55352 0.01637 -0.06748 0.00000 101 3S 0.00006 -0.67046 0.02554 -0.09106 0.00000 102 3PX 0.19268 -0.06920 0.21381 0.25459 -0.00001 103 3PY -0.05911 -0.15051 -0.25570 0.18635 0.00000 104 3PZ 0.00247 0.55070 -0.05785 0.13635 0.00000 105 4XX 0.00503 -0.03735 -0.03652 -0.05250 -0.57467 106 4YY -0.00964 -0.02390 0.12780 -0.10361 0.55509 107 4ZZ 0.00460 -0.05764 -0.08677 0.13996 0.01958 108 4XY -0.04856 0.01163 -0.03252 -0.09383 0.00434 109 4XZ 0.27239 -0.03751 0.29798 0.35445 -0.04878 110 4YZ -0.09233 -0.05074 -0.35002 0.26250 0.12991 111 11 H 1S 0.00000 -0.05710 0.00217 -0.00775 0.00000 112 2S -0.00002 0.50352 -0.01908 0.06838 0.00000 113 3PX -0.10120 0.01280 -0.12015 -0.14786 0.00000 114 3PY 0.03105 0.01389 0.14760 -0.11529 0.00000 115 3PZ -0.00129 0.04116 0.01943 -0.02929 0.00000 116 12 H 1S 0.00000 0.05710 -0.00217 0.00775 0.00000 117 2S -0.00002 -0.50351 0.01909 -0.06840 0.00000 118 3PX 0.10120 0.01280 -0.12015 -0.14785 0.00000 119 3PY -0.03105 0.01389 0.14760 -0.11529 0.00000 120 3PZ 0.00129 0.04116 0.01943 -0.02929 0.00000 81 82 83 84 85 V V V V V Eigenvalues -- 2.11689 2.28598 2.28598 2.40997 2.40997 1 1 H 1S 0.00000 -0.00038 0.00082 -0.00004 -0.00002 2 2S 0.00000 -0.91347 2.04310 0.00012 0.00009 3 3PX -0.00001 0.04014 -0.08976 -0.03401 -0.15693 4 3PY 0.00001 0.03919 -0.08766 -0.03461 0.15187 5 3PZ 0.00000 0.01094 -0.02447 0.24913 0.03182 6 2 H 1S 0.00000 -0.00054 -0.00072 -0.00001 0.00000 7 2S 0.00002 -1.31251 -1.81275 0.00004 0.00000 8 3PX 0.00001 -0.05815 -0.08032 -0.02222 0.09796 9 3PY 0.00001 0.05753 0.07944 0.01023 0.09722 10 3PZ 0.00001 0.00727 0.01005 -0.25826 0.01414 11 3 H 1S 0.00000 -0.00037 0.00082 0.00003 0.00002 12 2S 0.00000 -0.91349 2.04309 -0.00013 -0.00009 13 3PX 0.00001 -0.04014 0.08976 -0.03402 -0.15690 14 3PY -0.00001 -0.03919 0.08766 -0.03462 0.15184 15 3PZ 0.00000 -0.01095 0.02447 0.24915 0.03183 16 4 H 1S 0.00000 -0.00053 -0.00073 0.00001 0.00000 17 2S -0.00002 -1.31252 -1.81273 -0.00004 -0.00001 18 3PX -0.00001 0.05815 0.08032 -0.02222 0.09798 19 3PY -0.00001 -0.05753 -0.07944 0.01023 0.09725 20 3PZ 0.00000 -0.00726 -0.01005 -0.25829 0.01411 21 5 B 1S 0.00000 -0.21466 0.02222 0.00000 0.00000 22 2S 0.00003 -1.62538 0.16822 -0.00003 -0.00003 23 2PX 0.00000 0.01653 -0.00171 -0.04191 -0.04392 24 2PY 0.00000 0.04470 -0.00463 -0.01815 0.18578 25 2PZ -0.00002 -0.22110 0.02289 -0.00681 0.03428 26 3S 0.00000 12.68665 -1.31284 0.00018 0.00009 27 3PX 0.00001 0.59238 -0.06126 -0.10083 -0.10565 28 3PY -0.00002 1.60099 -0.16563 -0.04369 0.44706 29 3PZ 0.00003 -7.91904 0.81961 -0.01649 0.08242 30 4XX -0.05506 0.11059 -0.00694 -0.01541 -0.01182 31 4YY 0.05318 0.10902 0.00018 -0.02402 0.13195 32 4ZZ 0.00188 0.04418 -0.02053 0.03942 -0.12014 33 4XY 0.00041 -0.06532 -0.61996 0.58513 0.04030 34 4XZ -0.00468 -0.00734 -0.12556 0.20633 0.10077 35 4YZ 0.01246 0.01057 -0.04529 0.07692 -0.36216 36 6 B 1S 0.00000 0.08809 -0.19701 0.00002 0.00002 37 2S 0.00001 0.66696 -1.49171 0.00021 0.00014 38 2PX 0.00000 0.06521 -0.14582 0.02536 0.11702 39 2PY 0.00000 0.06366 -0.14235 0.02583 -0.11325 40 2PZ 0.00000 0.01775 -0.03965 -0.18583 -0.02375 41 3S 0.00000 -5.20627 11.64404 -0.00066 -0.00038 42 3PX 0.00000 2.33475 -5.22183 0.06134 0.28178 43 3PY 0.00001 2.27948 -5.09813 0.06246 -0.27230 44 3PZ 0.00000 0.63554 -1.42144 -0.44710 -0.05712 45 4XX -0.05469 0.21841 0.18258 -0.12528 -0.15134 46 4YY 0.14623 0.19542 0.17402 -0.11943 0.41255 47 4ZZ -0.09154 -0.52209 -0.11450 0.24470 -0.26122 48 4XY -0.05410 -0.28171 -0.16742 -0.00166 -0.17419 49 4XZ 0.42604 0.00937 -0.00740 0.26060 -0.00891 50 4YZ -0.40689 0.15283 0.05702 0.21897 0.16538 51 7 B 1S 0.00000 0.12657 0.17480 0.00001 0.00000 52 2S 0.00003 0.95831 1.32353 0.00009 0.00001 53 2PX 0.00002 -0.09444 -0.13042 0.01661 -0.07305 54 2PY -0.00002 0.09345 0.12903 -0.00760 -0.07252 55 2PZ 0.00000 0.01183 0.01635 0.19264 -0.01052 56 3S 0.00000 -7.48040 -10.33101 -0.00025 0.00000 57 3PX -0.00002 -3.38208 -4.67091 0.03983 -0.17585 58 3PY 0.00003 3.34606 4.62127 -0.01819 -0.17452 59 3PZ 0.00000 0.42351 0.58488 0.46362 -0.02527 60 4XX -0.04854 0.17311 -0.22036 0.06506 0.04115 61 4YY -0.12813 0.14726 -0.20255 0.03930 0.38473 62 4ZZ 0.17667 -0.47591 0.20811 -0.10436 -0.42587 63 4XY -0.10313 0.21839 -0.20627 -0.01036 0.25158 64 4XZ 0.36710 0.10337 -0.08091 0.29221 0.10895 65 4YZ 0.34524 0.17033 -0.11733 -0.26240 0.20363 66 8 B 1S 0.00000 0.12657 0.17480 -0.00001 0.00000 67 2S -0.00003 0.95831 1.32352 -0.00005 -0.00001 68 2PX 0.00002 0.09445 0.13042 0.01661 -0.07303 69 2PY -0.00002 -0.09344 -0.12903 -0.00759 -0.07249 70 2PZ 0.00000 -0.01183 -0.01632 0.19262 -0.01055 71 3S 0.00000 -7.48043 -10.33100 0.00013 -0.00002 72 3PX -0.00003 3.38209 4.67091 0.03988 -0.17574 73 3PY 0.00002 -3.34605 -4.62128 -0.01823 -0.17442 74 3PZ -0.00001 -0.42354 -0.58489 0.46352 -0.02542 75 4XX 0.04856 0.17310 -0.22036 -0.06505 -0.04121 76 4YY 0.12810 0.14727 -0.20256 -0.03929 -0.38466 77 4ZZ -0.17667 -0.47591 0.20812 0.10434 0.42586 78 4XY 0.10313 0.21839 -0.20626 0.01036 -0.25158 79 4XZ -0.36709 0.10335 -0.08094 -0.29218 -0.10888 80 4YZ -0.34525 0.17034 -0.11730 0.26237 -0.20368 81 9 B 1S 0.00000 0.08809 -0.19701 -0.00002 -0.00002 82 2S -0.00001 0.66696 -1.49171 -0.00018 -0.00014 83 2PX -0.00001 -0.06521 0.14582 0.02536 0.11704 84 2PY 0.00000 -0.06365 0.14235 0.02583 -0.11327 85 2PZ 0.00000 -0.01774 0.03969 -0.18581 -0.02374 86 3S 0.00000 -5.20635 11.64401 0.00052 0.00039 87 3PX 0.00002 -2.33475 5.22183 0.06127 0.28185 88 3PY -0.00001 -2.27949 5.09814 0.06240 -0.27240 89 3PZ 0.00000 -0.63550 1.42142 -0.44707 -0.05705 90 4XX 0.05471 0.21841 0.18258 0.12527 0.15138 91 4YY -0.14625 0.19543 0.17400 0.11943 -0.41261 92 4ZZ 0.09154 -0.52210 -0.11448 -0.24469 0.26123 93 4XY 0.05410 -0.28169 -0.16741 0.00165 0.17418 94 4XZ -0.42603 0.00937 -0.00736 -0.26058 0.00896 95 4YZ 0.40687 0.15283 0.05705 -0.21895 -0.16538 96 10 B 1S 0.00000 -0.21466 0.02221 0.00000 0.00000 97 2S -0.00003 -1.62538 0.16822 0.00001 0.00002 98 2PX 0.00000 -0.01653 0.00172 -0.04193 -0.04396 99 2PY 0.00000 -0.04470 0.00463 -0.01814 0.18580 100 2PZ -0.00002 0.22111 -0.02287 -0.00681 0.03427 101 3S 0.00000 12.68664 -1.31315 0.00005 -0.00008 102 3PX 0.00000 -0.59238 0.06127 -0.10094 -0.10584 103 3PY -0.00002 -1.60100 0.16563 -0.04369 0.44712 104 3PZ 0.00003 7.91904 -0.81960 -0.01634 0.08243 105 4XX 0.05512 0.11058 -0.00698 0.01541 0.01183 106 4YY -0.05324 0.10901 0.00014 0.02400 -0.13196 107 4ZZ -0.00189 0.04419 -0.02047 -0.03941 0.12013 108 4XY -0.00041 -0.06529 -0.61996 -0.58512 -0.04029 109 4XZ 0.00469 -0.00733 -0.12556 -0.20638 -0.10087 110 4YZ -0.01248 0.01058 -0.04532 -0.07691 0.36220 111 11 H 1S 0.00000 0.00090 -0.00011 0.00000 0.00001 112 2S 0.00002 2.22616 -0.23036 0.00002 -0.00002 113 3PX -0.00001 0.01021 -0.00107 0.05625 0.05898 114 3PY 0.00001 0.02753 -0.00287 0.02438 -0.24909 115 3PZ 0.00000 -0.13615 0.01409 0.00914 -0.04595 116 12 H 1S 0.00000 0.00090 -0.00007 -0.00001 0.00000 117 2S -0.00002 2.22616 -0.23044 0.00004 0.00002 118 3PX 0.00000 -0.01021 0.00107 0.05623 0.05891 119 3PY 0.00001 -0.02753 0.00287 0.02440 -0.24907 120 3PZ 0.00000 0.13615 -0.01408 0.00913 -0.04595 86 87 88 89 90 V V V V V Eigenvalues -- 2.40997 2.41416 2.41416 2.41417 2.48101 1 1 H 1S 0.00000 -0.00001 -0.00002 -0.00001 0.00008 2 2S -0.00001 0.00000 0.00007 0.00002 -0.00029 3 3PX 0.09257 -0.00036 0.02157 -0.22167 -0.00002 4 3PY -0.10797 0.00046 0.06315 0.21880 -0.00004 5 3PZ 0.04715 -0.00033 -0.30568 0.02956 0.00003 6 2 H 1S 0.00001 -0.00002 -0.00001 0.00001 -0.00002 7 2S -0.00003 0.00008 0.00001 -0.00003 0.00007 8 3PX 0.15398 -0.02328 -0.00130 -0.21970 -0.00003 9 3PY 0.15799 -0.06222 -0.00121 -0.21443 -0.00002 10 3PZ -0.01863 0.30575 -0.00072 -0.06037 0.00003 11 3 H 1S 0.00000 -0.00001 0.00003 0.00000 -0.00008 12 2S -0.00001 0.00000 -0.00009 -0.00001 0.00034 13 3PX 0.09258 0.00039 -0.02156 0.22168 -0.00003 14 3PY -0.10798 -0.00049 -0.06314 -0.21881 -0.00001 15 3PZ 0.04718 0.00031 0.30566 -0.02956 0.00000 16 4 H 1S -0.00001 0.00001 -0.00001 0.00000 0.00003 17 2S 0.00004 -0.00006 0.00001 0.00001 -0.00013 18 3PX 0.15398 0.02328 0.00127 0.21969 0.00000 19 3PY 0.15799 0.06222 0.00119 0.21442 0.00002 20 3PZ -0.01861 -0.30573 0.00074 0.06036 0.00001 21 5 B 1S 0.00001 0.00000 0.00000 0.00000 0.00014 22 2S 0.00012 0.00003 -0.00001 0.00000 0.00113 23 2PX 0.18389 0.18723 0.18527 -0.00144 -0.00007 24 2PY 0.03731 -0.18480 0.18133 -0.00076 -0.00003 25 2PZ 0.02130 -0.02336 0.05051 -0.00025 -0.00003 26 3S -0.00032 -0.00008 0.00014 -0.00006 -0.00334 27 3PX 0.44251 0.75958 0.75158 -0.00585 -0.00030 28 3PY 0.08978 -0.74971 0.73561 -0.00305 -0.00056 29 3PZ 0.05147 -0.09471 0.20484 -0.00103 0.00249 30 4XX 0.04750 0.05143 0.05087 -0.00039 -0.00378 31 4YY 0.02399 -0.13720 0.13460 -0.00055 -0.01002 32 4ZZ -0.07149 0.08576 -0.18548 0.00095 0.01380 33 4XY 0.22664 0.05092 0.10811 -0.00075 0.55959 34 4XZ -0.34204 -0.40068 -0.38475 0.00301 0.11288 35 4YZ -0.05698 0.38179 -0.36276 0.00149 0.03965 36 6 B 1S 0.00000 0.00000 0.00002 0.00000 -0.00005 37 2S 0.00002 0.00000 0.00017 -0.00001 -0.00035 38 2PX -0.06905 -0.00035 0.01819 -0.18713 -0.00005 39 2PY 0.08051 0.00042 0.05329 0.18471 -0.00004 40 2PZ -0.03517 -0.00026 -0.25803 0.02496 0.00029 41 3S -0.00004 0.00004 -0.00051 0.00003 0.00114 42 3PX -0.16612 -0.00136 0.07406 -0.75914 -0.00069 43 3PY 0.19381 0.00167 0.21645 0.74933 -0.00063 44 3PZ -0.08468 -0.00108 -1.04674 0.10125 0.00029 45 4XX 0.39892 0.00088 -0.04805 0.49368 0.24598 46 4YY 0.00459 -0.00107 -0.13732 -0.47579 0.22395 47 4ZZ -0.40350 0.00019 0.18536 -0.01789 -0.46993 48 4XY -0.28528 -0.00013 -0.10827 -0.00305 -0.29208 49 4XZ 0.08354 0.00055 0.38548 0.03955 0.00493 50 4YZ 0.15129 0.00021 0.36159 -0.11369 0.14610 51 7 B 1S -0.00001 0.00001 0.00000 0.00000 0.00002 52 2S -0.00006 0.00012 0.00001 -0.00005 0.00012 53 2PX -0.11485 -0.01964 -0.00104 -0.18546 -0.00010 54 2PY -0.11783 -0.05253 -0.00099 -0.18099 -0.00012 55 2PZ 0.01391 0.25808 -0.00063 -0.05095 0.00028 56 3S 0.00014 -0.00028 0.00009 0.00006 -0.00048 57 3PX -0.27629 -0.07985 -0.00430 -0.75232 -0.00041 58 3PY -0.28364 -0.21295 -0.00408 -0.73431 0.00002 59 3PZ 0.03342 1.04702 -0.00253 -0.20672 0.00050 60 4XX -0.43520 -0.05229 -0.00283 -0.49327 -0.24196 61 4YY 0.17270 0.13820 0.00264 0.47629 -0.21365 62 4ZZ 0.26249 -0.08591 0.00019 0.01698 0.45561 63 4XY -0.16290 -0.05080 0.00008 0.00380 -0.26737 64 4XZ -0.02730 0.40009 -0.00074 -0.04258 -0.11765 65 4YZ -0.10725 -0.38203 0.00116 0.11223 -0.18572 66 8 B 1S 0.00000 -0.00001 0.00000 0.00000 -0.00001 67 2S 0.00006 -0.00009 0.00001 0.00001 -0.00011 68 2PX -0.11485 0.01965 0.00110 0.18547 -0.00007 69 2PY -0.11783 0.05252 0.00106 0.18101 -0.00012 70 2PZ 0.01393 -0.25809 0.00061 0.05096 0.00027 71 3S -0.00013 0.00028 0.00009 -0.00008 0.00019 72 3PX -0.27628 0.07957 0.00443 0.75243 -0.00024 73 3PY -0.28363 0.21324 0.00421 0.73427 -0.00007 74 3PZ 0.03351 -1.04701 0.00250 0.20672 0.00046 75 4XX 0.43519 -0.05223 -0.00291 -0.49328 -0.24183 76 4YY -0.17271 0.13826 0.00272 0.47634 -0.21378 77 4ZZ -0.26248 -0.08604 0.00018 0.01695 0.45561 78 4XY 0.16290 -0.05081 0.00008 0.00385 -0.26743 79 4XZ 0.02727 0.40013 -0.00072 -0.04258 -0.11788 80 4YZ 0.10729 -0.38200 0.00114 0.11224 -0.18552 81 9 B 1S 0.00000 0.00000 -0.00001 -0.00001 0.00004 82 2S 0.00000 0.00000 -0.00007 -0.00005 0.00034 83 2PX -0.06905 0.00029 -0.01820 0.18713 -0.00003 84 2PY 0.08051 -0.00037 -0.05331 -0.18471 -0.00003 85 2PZ -0.03514 0.00029 0.25803 -0.02496 0.00030 86 3S -0.00008 0.00004 0.00014 0.00016 -0.00092 87 3PX -0.16616 0.00123 -0.07373 0.75919 -0.00055 88 3PY 0.19372 -0.00155 -0.21614 -0.74926 -0.00058 89 3PZ -0.08455 0.00114 1.04685 -0.10123 0.00038 90 4XX -0.39891 0.00079 -0.04800 0.49368 0.24586 91 4YY -0.00462 -0.00099 -0.13727 -0.47574 0.22385 92 4ZZ 0.40353 0.00020 0.18526 -0.01794 -0.46970 93 4XY 0.28525 -0.00013 -0.10825 -0.00306 -0.29237 94 4XZ -0.08350 0.00056 0.38552 0.03957 0.00507 95 4YZ -0.15123 0.00025 0.36165 -0.11368 0.14624 96 10 B 1S -0.00001 0.00000 0.00000 0.00000 -0.00014 97 2S -0.00014 0.00001 0.00005 -0.00001 -0.00113 98 2PX 0.18389 -0.18724 -0.18526 0.00145 -0.00010 99 2PY 0.03727 0.18480 -0.18132 0.00073 -0.00005 100 2PZ 0.02129 0.02335 -0.05050 0.00025 -0.00003 101 3S 0.00042 -0.00004 -0.00002 -0.00006 0.00340 102 3PX 0.44247 -0.75957 -0.75156 0.00588 -0.00037 103 3PY 0.08961 0.74969 -0.73558 0.00300 -0.00059 104 3PZ 0.05150 0.09473 -0.20495 0.00102 0.00251 105 4XX -0.04750 0.05142 0.05088 -0.00039 -0.00423 106 4YY -0.02396 -0.13718 0.13462 -0.00054 -0.01041 107 4ZZ 0.07147 0.08576 -0.18551 0.00093 0.01463 108 4XY -0.22663 0.05096 0.10817 -0.00075 0.55963 109 4XZ 0.34202 -0.40063 -0.38476 0.00303 0.11267 110 4YZ 0.05690 0.38176 -0.36277 0.00145 0.03931 111 11 H 1S -0.00002 0.00000 0.00000 0.00001 -0.00027 112 2S 0.00009 0.00000 0.00000 -0.00001 0.00103 113 3PX -0.24655 0.22179 0.21949 -0.00171 0.00000 114 3PY -0.04999 -0.21890 0.21482 -0.00087 0.00000 115 3PZ -0.02854 -0.02766 0.05986 -0.00031 0.00011 116 12 H 1S 0.00002 0.00000 -0.00001 0.00001 0.00027 117 2S -0.00007 -0.00001 0.00004 -0.00001 -0.00102 118 3PX -0.24656 -0.22183 -0.21945 0.00171 -0.00003 119 3PY -0.05005 0.21894 -0.21479 0.00090 -0.00005 120 3PZ -0.02856 0.02767 -0.05985 0.00031 0.00009 91 92 93 94 95 V V V V V Eigenvalues -- 2.48552 2.48553 2.48553 2.64941 2.64941 1 1 H 1S -0.32171 0.04555 0.26029 0.13884 -0.34565 2 2S 1.23397 -0.17477 -0.99836 -0.87133 2.16927 3 3PX 0.10194 0.01725 -0.06273 -0.06456 0.16066 4 3PY 0.08261 -0.04662 -0.07101 -0.06291 0.15671 5 3PZ -0.00270 0.00926 -0.05549 -0.01751 0.04344 6 2 H 1S 0.12731 0.38607 0.08978 0.22992 0.29307 7 2S -0.48836 -1.48081 -0.34444 -1.44293 -1.83931 8 3PX 0.06351 0.10364 0.00698 0.10773 0.13715 9 3PY -0.00501 -0.11432 -0.03828 -0.10645 -0.13586 10 3PZ -0.02326 0.00204 -0.04369 -0.01356 -0.01720 11 3 H 1S 0.32172 -0.04556 -0.26027 0.13883 -0.34565 12 2S -1.23393 0.17473 0.99842 -0.87129 2.16929 13 3PX 0.10195 0.01724 -0.06271 0.06455 -0.16066 14 3PY 0.08263 -0.04663 -0.07100 0.06291 -0.15670 15 3PZ -0.00273 0.00927 -0.05547 0.01751 -0.04345 16 4 H 1S -0.12732 -0.38606 -0.08981 0.22991 0.29307 17 2S 0.48834 1.48084 0.34437 -1.44291 -1.83933 18 3PX 0.06351 0.10363 0.00700 -0.10773 -0.13715 19 3PY -0.00502 -0.11431 -0.03830 0.10645 0.13586 20 3PZ -0.02328 0.00201 -0.04370 0.01356 0.01718 21 5 B 1S -0.12065 0.07764 -0.16272 -0.16952 0.02416 22 2S -0.96022 0.61785 -1.29500 -1.00912 0.14383 23 2PX 0.34004 0.26161 -0.13064 0.02285 -0.00328 24 2PY 0.13815 -0.32347 -0.26578 0.06173 -0.00882 25 2PZ 0.07280 -0.05832 -0.03732 -0.30540 0.04353 26 3S 2.84559 -1.83107 3.83794 9.34798 -1.33253 27 3PX 0.72852 0.32858 0.00464 0.47553 -0.06775 28 3PY 0.67294 -0.82236 0.15732 1.28517 -0.18314 29 3PZ -2.07384 1.31532 -3.02175 -6.35700 0.90627 30 4XX -0.17624 0.14589 -0.27752 -0.34064 0.04983 31 4YY -0.15329 0.05575 -0.28934 -0.30904 0.04727 32 4ZZ 0.31870 -0.19468 0.55226 0.54082 -0.08158 33 4XY 0.05177 0.00831 -0.01010 -0.00905 -0.17413 34 4XZ -0.22530 -0.10621 -0.00162 -0.08153 -0.02382 35 4YZ -0.20142 0.25086 -0.05002 -0.20885 0.01732 36 6 B 1S 0.16764 -0.02374 -0.13563 0.06381 -0.15888 37 2S 1.33414 -0.18892 -1.07942 0.37976 -0.94570 38 2PX 0.09714 0.28614 0.10833 0.08264 -0.20570 39 2PY -0.06499 -0.32138 0.01336 0.08070 -0.20084 40 2PZ -0.26170 0.12105 -0.33426 0.02250 -0.05605 41 3S -3.95381 0.55977 3.19906 -3.51947 8.76224 42 3PX 2.35195 0.16472 -1.59281 1.71943 -4.28092 43 3PY 2.03097 -0.83625 -1.70845 1.67874 -4.17951 44 3PZ 0.16207 0.11645 -1.03734 0.46805 -1.16541 45 4XX -0.20256 -0.16614 0.04270 0.02855 0.13366 46 4YY -0.07858 0.22073 0.08864 0.03036 0.11095 47 4ZZ 0.29619 -0.05672 -0.14351 -0.01791 -0.34666 48 4XY -0.48597 0.08305 0.33917 -0.27852 0.45013 49 4XZ -0.04413 -0.05584 0.22137 -0.05275 0.13544 50 4YZ -0.02670 0.00675 0.22562 -0.01081 0.14857 51 7 B 1S -0.06634 -0.20118 -0.04679 0.10568 0.13471 52 2S -0.52798 -1.60105 -0.37236 0.62898 0.80191 53 2PX 0.25496 -0.06874 -0.17801 -0.13796 -0.17583 54 2PY 0.29502 -0.04337 -0.12098 0.13651 0.17395 55 2PZ -0.17715 0.15073 -0.38281 0.01726 0.02200 56 3S 1.56466 4.74493 1.10345 -5.82833 -7.42924 57 3PX 1.29724 2.53658 0.32094 -2.87082 -3.65940 58 3PY -0.37513 -2.69442 -0.81060 2.84021 3.62053 59 3PZ -0.40344 -0.08167 -0.71250 0.35947 0.45817 60 4XX 0.22479 0.13091 -0.07576 -0.01561 -0.14143 61 4YY -0.13686 0.19313 0.11667 -0.01626 -0.12831 62 4ZZ -0.09390 -0.34209 -0.04512 0.09976 0.35625 63 4XY -0.17747 -0.57727 -0.11572 0.39683 0.37140 64 4XZ -0.10361 -0.01396 -0.15359 0.07075 0.03091 65 4YZ 0.07640 0.01915 0.16592 0.00379 -0.08849 66 8 B 1S 0.06634 0.20117 0.04679 0.10568 0.13471 67 2S 0.52800 1.60102 0.37240 0.62899 0.80190 68 2PX 0.25495 -0.06874 -0.17801 0.13796 0.17583 69 2PY 0.29502 -0.04337 -0.12097 -0.13652 -0.17394 70 2PZ -0.17715 0.15071 -0.38281 -0.01728 -0.02204 71 3S -1.56482 -4.74474 -1.10386 -5.82841 -7.42915 72 3PX 1.29729 2.53647 0.32116 2.87084 3.65936 73 3PY -0.37522 -2.69432 -0.81079 -2.84025 -3.62049 74 3PZ -0.40351 -0.08181 -0.71256 -0.35954 -0.45828 75 4XX -0.22504 -0.13081 0.07557 -0.01561 -0.14142 76 4YY 0.13662 -0.19304 -0.11683 -0.01626 -0.12831 77 4ZZ 0.09437 0.34190 0.04544 0.09976 0.35624 78 4XY 0.17716 0.57739 0.11547 0.39684 0.37139 79 4XZ 0.10349 0.01405 0.15352 0.07076 0.03092 80 4YZ -0.07663 -0.01912 -0.16606 0.00378 -0.08851 81 9 B 1S -0.16764 0.02374 0.13563 0.06381 -0.15887 82 2S -1.33416 0.18894 1.07938 0.37980 -0.94569 83 2PX 0.09713 0.28614 0.10833 -0.08264 0.20570 84 2PY -0.06498 -0.32138 0.01335 -0.08071 0.20085 85 2PZ -0.26173 0.12105 -0.33425 -0.02250 0.05601 86 3S 3.95405 -0.56003 -3.19871 -3.51970 8.76215 87 3PX 2.35205 0.16457 -1.59264 -1.71952 4.28087 88 3PY 2.03115 -0.83635 -1.70832 -1.67884 4.17952 89 3PZ 0.16194 0.11645 -1.03722 -0.46805 1.16527 90 4XX 0.20282 0.16603 -0.04251 0.02855 0.13366 91 4YY 0.07885 -0.22080 -0.08847 0.03035 0.11095 92 4ZZ -0.29670 0.05689 0.14316 -0.01790 -0.34666 93 4XY 0.48565 -0.08291 -0.33945 -0.27854 0.45013 94 4XZ 0.04409 0.05587 -0.22135 -0.05275 0.13542 95 4YZ 0.02681 -0.00681 -0.22549 -0.01081 0.14855 96 10 B 1S 0.12065 -0.07764 0.16272 -0.16951 0.02419 97 2S 0.96023 -0.61787 1.29500 -1.00910 0.14401 98 2PX 0.34006 0.26158 -0.13066 -0.02285 0.00328 99 2PY 0.13818 -0.32345 -0.26578 -0.06174 0.00882 100 2PZ 0.07280 -0.05832 -0.03732 0.30540 -0.04354 101 3S -2.84567 1.83113 -3.83787 9.34787 -1.33344 102 3PX 0.72860 0.32845 0.00455 -0.47555 0.06778 103 3PY 0.67310 -0.82230 0.15728 -1.28519 0.18325 104 3PZ -2.07386 1.31537 -3.02172 6.35693 -0.90678 105 4XX 0.17622 -0.14588 0.27753 -0.34063 0.04987 106 4YY 0.15325 -0.05575 0.28934 -0.30903 0.04730 107 4ZZ -0.31866 0.19467 -0.55227 0.54081 -0.08165 108 4XY -0.05121 -0.00849 0.01048 -0.00902 -0.17413 109 4XZ 0.22544 0.10613 0.00167 -0.08153 -0.02381 110 4YZ 0.20151 -0.25084 0.05004 -0.20885 0.01734 111 11 H 1S 0.23154 -0.14899 0.31227 -0.36877 0.05261 112 2S -0.88814 0.57146 -1.19774 2.31444 -0.33013 113 3PX 0.04278 0.02325 -0.00454 -0.01773 0.00237 114 3PY 0.03316 -0.04613 -0.00305 -0.04824 0.00673 115 3PZ -0.08413 0.05292 -0.12779 0.23839 -0.03404 116 12 H 1S -0.23155 0.14899 -0.31227 -0.36878 0.05256 117 2S 0.88813 -0.57144 1.19775 2.31446 -0.32996 118 3PX 0.04279 0.02322 -0.00455 0.01773 -0.00237 119 3PY 0.03320 -0.04612 -0.00306 0.04824 -0.00673 120 3PZ -0.08413 0.05293 -0.12779 -0.23839 0.03402 96 97 98 99 100 V V V V V Eigenvalues -- 2.65871 2.65871 2.65871 2.71908 2.85781 1 1 H 1S 0.00015 -0.00012 0.00011 0.04793 -0.02411 2 2S -0.00102 0.00084 -0.00080 -0.76761 0.09149 3 3PX 0.18560 0.10159 0.29112 0.11897 0.07390 4 3PY -0.14203 -0.22575 -0.25365 0.11615 0.03952 5 3PZ -0.17286 0.43688 -0.16005 0.03234 -0.45044 6 2 H 1S -0.00003 0.00010 -0.00009 0.04792 -0.01029 7 2S 0.00018 -0.00070 0.00068 -0.76753 0.03904 8 3PX -0.20321 -0.13871 -0.25875 -0.11995 -0.07106 9 3PY -0.25061 -0.14301 -0.21665 0.11865 -0.01635 10 3PZ 0.35737 0.02152 -0.35425 0.01502 -0.47251 11 3 H 1S 0.00015 -0.00012 0.00011 0.04793 0.02411 12 2S -0.00102 0.00085 -0.00080 -0.76761 -0.09149 13 3PX -0.18562 -0.10159 -0.29111 -0.11897 0.07391 14 3PY 0.14205 0.22577 0.25364 -0.11614 0.03953 15 3PZ 0.17286 -0.43687 0.16005 -0.03238 -0.45042 16 4 H 1S -0.00003 0.00010 -0.00009 0.04792 0.01029 17 2S 0.00017 -0.00070 0.00068 -0.76752 -0.03904 18 3PX 0.20323 0.13868 0.25876 0.11995 -0.07106 19 3PY 0.25061 0.14299 0.21666 -0.11865 -0.01636 20 3PZ -0.35736 -0.02153 0.35425 -0.01498 -0.47251 21 5 B 1S -0.00007 0.00002 -0.00002 0.15465 0.01368 22 2S -0.00044 0.00020 -0.00019 2.01939 1.45012 23 2PX -0.06998 0.04950 0.01950 0.05479 0.03776 24 2PY 0.03208 0.06275 -0.05001 0.14810 0.09711 25 2PZ 0.00116 0.01637 -0.00864 -0.73255 -0.22124 26 3S 0.00367 -0.00096 0.00082 -0.20816 -2.51253 27 3PX -0.00452 0.00327 0.00136 -0.10890 -0.03691 28 3PY 0.00266 0.00408 -0.00324 -0.29414 -0.11404 29 3PZ -0.00241 0.00180 -0.00120 1.45479 1.31924 30 4XX 0.05168 0.00784 0.04231 -0.06366 -0.18647 31 4YY -0.05605 -0.07536 -0.00464 -0.06751 -0.21071 32 4ZZ 0.00436 0.06750 -0.03766 -0.17226 -0.21426 33 4XY 0.02811 -0.03568 -0.00076 -0.00189 -0.01270 34 4XZ -0.16614 0.11816 0.05261 0.00944 0.03409 35 4YZ 0.06973 0.13781 -0.12711 0.02549 0.08507 36 6 B 1S 0.00007 -0.00006 0.00005 0.15468 0.00457 37 2S 0.00045 -0.00031 0.00029 2.01964 0.48401 38 2PX 0.03246 0.01761 0.05085 -0.52629 -0.08234 39 2PY -0.02466 -0.03946 -0.04412 -0.51383 -0.06941 40 2PZ -0.03011 0.07613 -0.02788 -0.14326 0.13550 41 3S -0.00432 0.00368 -0.00353 -0.21005 -0.83859 42 3PX 0.00427 -0.00056 0.00509 1.04611 0.23106 43 3PY 0.00036 -0.00437 -0.00135 1.02137 0.25756 44 3PZ -0.00146 0.00467 -0.00143 0.28486 0.52319 45 4XX 0.10216 0.05379 0.14838 -0.11943 -0.12029 46 4YY -0.08642 -0.11711 -0.11968 -0.11681 -0.09783 47 4ZZ -0.01571 0.06328 -0.02867 -0.06722 0.01404 48 4XY 0.01681 -0.03727 0.00554 -0.06361 -0.05543 49 4XZ -0.07774 0.13421 0.00369 -0.01774 0.14945 50 4YZ -0.02359 0.11568 -0.09478 -0.01732 0.14909 51 7 B 1S -0.00001 0.00006 -0.00006 0.15467 0.00195 52 2S -0.00011 0.00039 -0.00039 2.01958 0.20666 53 2PX -0.03542 -0.02422 -0.04508 0.53060 0.04858 54 2PY -0.04370 -0.02488 -0.03780 -0.52496 -0.01903 55 2PZ 0.06230 0.00376 -0.06176 -0.06645 0.15549 56 3S 0.00067 -0.00275 0.00274 -0.20963 -0.35812 57 3PX -0.00205 -0.00302 -0.00165 -1.05453 -0.06113 58 3PY -0.00328 -0.00030 -0.00392 1.04326 0.14513 59 3PZ 0.00416 0.00043 -0.00434 0.13198 0.47860 60 4XX 0.10898 0.06715 0.13786 -0.12036 -0.07631 61 4YY -0.12535 -0.08989 -0.10858 -0.11915 -0.02168 62 4ZZ 0.01638 0.02275 -0.02929 -0.06395 0.01086 63 4XY 0.01921 -0.01052 -0.00863 0.06551 0.02624 64 4XZ -0.13100 0.03229 0.08570 0.00830 -0.16616 65 4YZ 0.08417 0.04248 -0.12613 -0.00821 0.16829 66 8 B 1S -0.00002 0.00006 -0.00006 0.15467 -0.00195 67 2S -0.00010 0.00039 -0.00042 2.01959 -0.20662 68 2PX 0.03542 0.02423 0.04508 -0.53060 0.04858 69 2PY 0.04370 0.02489 0.03780 0.52496 -0.01903 70 2PZ -0.06230 -0.00376 0.06176 0.06645 0.15549 71 3S 0.00066 -0.00275 0.00276 -0.20967 0.35796 72 3PX 0.00204 0.00303 0.00165 1.05454 -0.06108 73 3PY 0.00328 0.00031 0.00391 -1.04327 0.14508 74 3PZ -0.00416 -0.00042 0.00434 -0.13203 0.47859 75 4XX 0.10897 0.06715 0.13787 -0.12036 0.07632 76 4YY -0.12536 -0.08989 -0.10856 -0.11915 0.02169 77 4ZZ 0.01638 0.02275 -0.02930 -0.06395 -0.01089 78 4XY 0.01921 -0.01052 -0.00863 0.06552 -0.02624 79 4XZ -0.13100 0.03228 0.08569 0.00828 0.16616 80 4YZ 0.08416 0.04247 -0.12614 -0.00819 -0.16829 81 9 B 1S 0.00007 -0.00006 0.00005 0.15468 -0.00457 82 2S 0.00045 -0.00034 0.00030 2.01964 -0.48406 83 2PX -0.03246 -0.01761 -0.05086 0.52629 -0.08234 84 2PY 0.02466 0.03946 0.04412 0.51382 -0.06941 85 2PZ 0.03011 -0.07614 0.02788 0.14326 0.13550 86 3S -0.00433 0.00369 -0.00354 -0.21005 0.83872 87 3PX -0.00426 0.00055 -0.00509 -1.04611 0.23109 88 3PY -0.00037 0.00435 0.00136 -1.02139 0.25760 89 3PZ 0.00147 -0.00467 0.00143 -0.28481 0.52320 90 4XX 0.10215 0.05381 0.14838 -0.11943 0.12029 91 4YY -0.08642 -0.11710 -0.11969 -0.11680 0.09782 92 4ZZ -0.01570 0.06327 -0.02866 -0.06723 -0.01401 93 4XY 0.01682 -0.03727 0.00554 -0.06361 0.05544 94 4XZ -0.07775 0.13420 0.00368 -0.01775 -0.14945 95 4YZ -0.02358 0.11569 -0.09478 -0.01733 -0.14910 96 10 B 1S -0.00007 0.00002 -0.00002 0.15465 -0.01368 97 2S -0.00044 0.00019 -0.00019 2.01938 -1.45014 98 2PX 0.06998 -0.04951 -0.01950 -0.05479 0.03776 99 2PY -0.03208 -0.06276 0.05001 -0.14810 0.09711 100 2PZ -0.00116 -0.01638 0.00864 0.73255 -0.22124 101 3S 0.00367 -0.00096 0.00082 -0.20813 2.51256 102 3PX 0.00452 -0.00328 -0.00136 0.10890 -0.03691 103 3PY -0.00266 -0.00408 0.00324 0.29415 -0.11404 104 3PZ 0.00242 -0.00180 0.00120 -1.45477 1.31926 105 4XX 0.05168 0.00785 0.04230 -0.06366 0.18647 106 4YY -0.05605 -0.07536 -0.00464 -0.06751 0.21072 107 4ZZ 0.00436 0.06750 -0.03766 -0.17226 0.21426 108 4XY 0.02811 -0.03568 -0.00076 -0.00191 0.01267 109 4XZ -0.16614 0.11816 0.05262 0.00943 -0.03410 110 4YZ 0.06973 0.13781 -0.12711 0.02548 -0.08508 111 11 H 1S -0.00012 0.00002 -0.00003 0.04788 -0.07222 112 2S 0.00088 -0.00024 0.00024 -0.76718 0.27399 113 3PX -0.40144 0.28397 0.11186 -0.01241 -0.05892 114 3PY 0.18390 0.35997 -0.28685 -0.03351 -0.14483 115 3PZ 0.00721 0.09403 -0.04961 0.16558 -0.05548 116 12 H 1S -0.00012 0.00002 -0.00003 0.04788 0.07222 117 2S 0.00088 -0.00024 0.00024 -0.76718 -0.27398 118 3PX 0.40144 -0.28396 -0.11185 0.01241 -0.05891 119 3PY -0.18390 -0.35997 0.28684 0.03350 -0.14482 120 3PZ -0.00721 -0.09403 0.04961 -0.16558 -0.05548 101 102 103 104 105 V V V V V Eigenvalues -- 2.85782 2.85782 2.87609 2.87609 2.87609 1 1 H 1S 0.01770 0.07077 0.00000 0.00002 0.00001 2 2S -0.06716 -0.26849 0.00002 -0.00008 -0.00004 3 3PX -0.31325 0.12072 -0.08235 0.30823 -0.03873 4 3PY 0.34473 -0.05585 0.16737 -0.25970 0.11197 5 3PZ -0.05839 -0.13400 -0.29784 -0.20092 -0.25933 6 2 H 1S 0.07297 -0.02175 0.00000 -0.00001 0.00001 7 2S -0.27682 0.08252 0.00001 0.00004 -0.00004 8 3PX 0.07023 0.32604 -0.22219 -0.03446 0.22600 9 3PY 0.11145 0.32567 -0.25712 -0.05481 0.18622 10 3PZ -0.07703 -0.04168 0.25708 0.15772 0.33344 11 3 H 1S -0.01770 -0.07077 -0.00001 -0.00002 -0.00002 12 2S 0.06715 0.26849 0.00006 0.00009 0.00011 13 3PX -0.31325 0.12072 -0.08234 0.30823 -0.03872 14 3PY 0.34474 -0.05585 0.16738 -0.25969 0.11198 15 3PZ -0.05839 -0.13402 -0.29784 -0.20092 -0.25933 16 4 H 1S -0.07297 0.02175 -0.00001 0.00001 -0.00002 17 2S 0.27683 -0.08252 0.00003 -0.00002 0.00010 18 3PX 0.07024 0.32604 -0.22220 -0.03446 0.22598 19 3PY 0.11145 0.32567 -0.25711 -0.05480 0.18623 20 3PZ -0.07701 -0.04169 0.25709 0.15772 0.33345 21 5 B 1S 0.00309 0.00389 -0.00001 0.00000 0.00000 22 2S 0.32737 0.41208 -0.00033 0.00014 0.00022 23 2PX 0.08662 -0.13224 0.05909 -0.05315 -0.03634 24 2PY -0.12266 -0.05678 0.01739 0.06103 -0.05789 25 2PZ -0.07333 -0.09063 0.00800 0.00835 -0.01444 26 3S -0.56722 -0.71395 0.00042 -0.00028 -0.00053 27 3PX 0.21931 -0.42724 0.01683 -0.01523 -0.01035 28 3PY -0.44719 -0.27833 0.00497 0.01730 -0.01664 29 3PZ 0.22963 0.29400 0.00201 0.00250 -0.00389 30 4XX -0.05709 -0.02552 0.03971 -0.03737 -0.02620 31 4YY 0.02750 -0.01611 0.02953 0.11248 -0.11075 32 4ZZ -0.10844 -0.13213 -0.06911 -0.07516 0.13684 33 4XY -0.01026 0.04855 0.23869 0.05551 0.08159 34 4XZ 0.12600 -0.19923 -0.27844 0.30459 0.21725 35 4YZ -0.18816 -0.09252 -0.07256 -0.31060 0.30328 36 6 B 1S -0.00335 -0.01341 -0.00001 -0.00001 -0.00001 37 2S -0.35536 -1.42104 -0.00009 -0.00036 -0.00041 38 2PX 0.14738 0.12832 -0.01597 0.05984 -0.00743 39 2PY -0.07449 0.18364 0.03249 -0.05035 0.02174 40 2PZ 0.03112 0.09099 -0.05785 -0.03896 -0.05027 41 3S 0.61571 2.46216 0.00016 0.00060 0.00064 42 3PX 0.08373 -1.00878 -0.00462 0.01672 -0.00235 43 3PY -0.55474 -0.81482 0.00914 -0.01454 0.00581 44 3PZ -0.00344 -0.11125 -0.01655 -0.01110 -0.01430 45 4XX 0.24863 0.14428 0.17182 -0.38994 -0.03124 46 4YY -0.15399 0.25078 -0.15086 0.33359 -0.21474 47 4ZZ 0.05519 0.20410 -0.02093 0.05648 0.24613 48 4XY -0.00254 0.02334 -0.14279 -0.03942 0.04129 49 4XZ 0.05449 0.04881 0.23973 0.08724 0.19919 50 4YZ -0.01008 0.06455 0.22159 0.20298 0.11750 51 7 B 1S -0.01383 0.00412 0.00000 0.00000 -0.00001 52 2S -1.46508 0.43674 -0.00011 0.00016 -0.00040 53 2PX -0.19913 -0.05712 -0.04315 -0.00671 0.04377 54 2PY 0.13623 -0.16108 -0.04988 -0.01071 0.03615 55 2PZ 0.04778 0.00739 0.04985 0.03062 0.06475 56 3S 2.53846 -0.75671 0.00012 -0.00030 0.00059 57 3PX 0.85696 -0.59496 -0.01220 -0.00208 0.01265 58 3PY -1.02497 -0.04559 -0.01425 -0.00301 0.00993 59 3PZ -0.04067 0.07523 0.01409 0.00874 0.01843 60 4XX 0.27021 0.13591 -0.32280 0.05046 0.27486 61 4YY 0.15675 -0.26828 0.30058 0.15473 -0.25604 62 4ZZ 0.19077 -0.05178 0.02225 -0.20526 -0.01867 63 4XY -0.03320 0.01551 -0.06559 0.08985 -0.04892 64 4XZ -0.03705 -0.02794 0.19720 0.16802 0.21982 65 4YZ 0.02852 -0.00161 -0.19278 -0.03880 -0.27956 66 8 B 1S 0.01383 -0.00412 0.00000 0.00000 0.00000 67 2S 1.46508 -0.43674 0.00002 -0.00020 0.00027 68 2PX -0.19913 -0.05712 -0.04312 -0.00670 0.04380 69 2PY 0.13623 -0.16108 -0.04990 -0.01072 0.03612 70 2PZ 0.04778 0.00739 0.04985 0.03062 0.06475 71 3S -2.53846 0.75669 -0.00012 0.00033 -0.00057 72 3PX 0.85695 -0.59495 -0.01224 -0.00212 0.01257 73 3PY -1.02496 -0.04559 -0.01420 -0.00298 0.01001 74 3PZ -0.04068 0.07524 0.01409 0.00875 0.01844 75 4XX -0.27021 -0.13591 0.32280 -0.05046 -0.27486 76 4YY -0.15675 0.26828 -0.30058 -0.15473 0.25605 77 4ZZ -0.19077 0.05177 -0.02224 0.20526 0.01868 78 4XY 0.03320 -0.01550 0.06558 -0.08985 0.04892 79 4XZ 0.03706 0.02795 -0.19720 -0.16802 -0.21981 80 4YZ -0.02853 0.00163 0.19277 0.03880 0.27956 81 9 B 1S 0.00335 0.01341 0.00000 0.00000 0.00000 82 2S 0.35534 1.42103 -0.00001 0.00033 0.00026 83 2PX 0.14737 0.12832 -0.01598 0.05983 -0.00746 84 2PY -0.07449 0.18364 0.03248 -0.05036 0.02171 85 2PZ 0.03112 0.09098 -0.05785 -0.03896 -0.05028 86 3S -0.61568 -2.46213 0.00000 -0.00063 -0.00055 87 3PX 0.08374 -1.00877 -0.00450 0.01673 -0.00224 88 3PY -0.55473 -0.81482 0.00927 -0.01453 0.00592 89 3PZ -0.00343 -0.11123 -0.01652 -0.01110 -0.01427 90 4XX -0.24863 -0.14429 -0.17182 0.38994 0.03125 91 4YY 0.15399 -0.25079 0.15086 -0.33360 0.21475 92 4ZZ -0.05518 -0.20408 0.02095 -0.05648 -0.24612 93 4XY 0.00253 -0.02334 0.14280 0.03943 -0.04128 94 4XZ -0.05448 -0.04880 -0.23972 -0.08724 -0.19919 95 4YZ 0.01007 -0.06455 -0.22159 -0.20298 -0.11750 96 10 B 1S -0.00309 -0.00389 0.00000 0.00000 -0.00001 97 2S -0.32736 -0.41207 0.00023 -0.00019 -0.00035 98 2PX 0.08662 -0.13224 0.05909 -0.05315 -0.03634 99 2PY -0.12265 -0.05678 0.01740 0.06104 -0.05788 100 2PZ -0.07333 -0.09063 0.00796 0.00833 -0.01449 101 3S 0.56718 0.71394 -0.00055 0.00029 0.00046 102 3PX 0.21930 -0.42725 0.01683 -0.01523 -0.01036 103 3PY -0.44717 -0.27834 0.00498 0.01729 -0.01665 104 3PZ 0.22962 0.29400 0.00198 0.00253 -0.00385 105 4XX 0.05709 0.02551 -0.03971 0.03738 0.02620 106 4YY -0.02750 0.01610 -0.02952 -0.11248 0.11075 107 4ZZ 0.10844 0.13213 0.06912 0.07517 -0.13682 108 4XY 0.01026 -0.04857 -0.23870 -0.05551 -0.08160 109 4XZ -0.12600 0.19923 0.27844 -0.30461 -0.21724 110 4YZ 0.18815 0.09252 0.07254 0.31061 -0.30327 111 11 H 1S -0.01630 -0.02052 0.00001 -0.00001 -0.00002 112 2S 0.06184 0.07787 -0.00006 0.00005 0.00008 113 3PX -0.24597 0.40939 0.30450 -0.27354 -0.18724 114 3PY 0.39821 0.21022 0.08975 0.31459 -0.29787 115 3PZ 0.05719 0.06693 0.04093 0.04314 -0.07423 116 12 H 1S 0.01630 0.02052 -0.00002 0.00001 0.00001 117 2S -0.06184 -0.07787 0.00007 -0.00003 -0.00004 118 3PX -0.24598 0.40938 0.30451 -0.27353 -0.18726 119 3PY 0.39822 0.21021 0.08977 0.31457 -0.29788 120 3PZ 0.05719 0.06693 0.04093 0.04313 -0.07423 106 107 108 109 110 V V V V V Eigenvalues -- 3.08089 3.08089 3.08089 3.37759 3.46691 1 1 H 1S 0.00000 -0.00001 0.00000 -0.11127 0.22968 2 2S 0.00001 0.00005 -0.00003 -0.55127 0.27407 3 3PX -0.00140 -0.03356 0.32283 -0.30783 0.35883 4 3PY 0.00085 -0.08990 -0.31949 -0.30053 0.35032 5 3PZ 0.00208 0.44575 -0.04013 -0.08378 0.09296 6 2 H 1S 0.00000 0.00000 0.00000 -0.11127 -0.03095 7 2S -0.00003 -0.00002 -0.00003 -0.55125 -0.03691 8 3PX -0.03459 -0.00007 0.32012 0.31034 0.05122 9 3PY -0.09133 0.00019 0.31230 -0.30705 -0.04506 10 3PZ 0.44538 -0.00198 0.08889 -0.03887 -0.00999 11 3 H 1S 0.00000 0.00000 0.00000 -0.11127 -0.22969 12 2S 0.00001 0.00005 -0.00003 -0.55127 -0.27411 13 3PX 0.00141 0.03354 -0.32283 0.30783 0.35884 14 3PY -0.00085 0.08989 0.31949 0.30053 0.35033 15 3PZ -0.00208 -0.44575 0.04013 0.08378 0.09296 16 4 H 1S 0.00000 0.00000 0.00000 -0.11127 0.03095 17 2S -0.00003 -0.00002 -0.00003 -0.55125 0.03695 18 3PX 0.03457 0.00008 -0.32012 -0.31034 0.05122 19 3PY 0.09134 -0.00018 -0.31229 0.30705 -0.04507 20 3PZ -0.44538 0.00198 -0.08889 0.03887 -0.01000 21 5 B 1S 0.00000 0.00000 0.00000 -0.03640 0.08929 22 2S 0.00004 -0.00010 0.00001 1.49269 -0.38046 23 2PX -0.18765 0.18774 -0.00060 0.00001 0.03477 24 2PY 0.18724 0.18169 0.00085 -0.00001 0.08634 25 2PZ 0.02382 0.05079 0.00012 0.00005 -0.41189 26 3S -0.00007 0.00013 0.00015 0.10257 -0.90941 27 3PX 0.16749 -0.16756 0.00055 -0.04326 -0.07971 28 3PY -0.16714 -0.16215 -0.00074 -0.11686 -0.06685 29 3PZ -0.02120 -0.04544 -0.00019 0.57800 0.03591 30 4XX -0.05382 0.05385 -0.00018 -0.40101 0.39206 31 4YY 0.14513 0.14084 0.00066 -0.39220 0.36618 32 4ZZ -0.09132 -0.19466 -0.00049 -0.15255 -0.31444 33 4XY -0.05298 0.11409 -0.00013 0.00437 -0.01388 34 4XZ 0.41932 -0.40717 0.00136 -0.02161 0.06708 35 4YZ -0.40381 -0.37946 -0.00182 -0.05834 0.17038 36 6 B 1S 0.00000 0.00000 0.00000 -0.03640 -0.06122 37 2S 0.00001 -0.00008 0.00006 1.49274 0.26087 38 2PX 0.00082 0.01958 -0.18846 0.00005 0.20430 39 2PY -0.00051 0.05247 0.18650 0.00004 0.19944 40 2PZ -0.00122 -0.26020 0.02342 0.00001 0.04833 41 3S 0.00012 0.00010 -0.00010 0.10225 0.62341 42 3PX -0.00077 -0.01755 0.16826 0.41544 -0.04521 43 3PY 0.00040 -0.04690 -0.16640 0.40561 -0.04382 44 3PZ 0.00107 0.23222 -0.02089 0.11312 0.12946 45 4XX -0.00226 -0.05395 0.51909 -0.27346 -0.01784 46 4YY 0.00135 -0.14113 -0.50154 -0.27947 -0.02976 47 4ZZ 0.00091 0.19510 -0.01757 -0.39285 -0.25671 48 4XY -0.00048 -0.11388 -0.00399 0.14540 0.28657 49 4XZ 0.00157 0.40531 0.04433 0.04056 0.07245 50 4YZ 0.00210 0.38127 -0.11709 0.03961 0.07073 51 7 B 1S 0.00000 0.00000 0.00000 -0.03640 0.00825 52 2S 0.00003 -0.00002 0.00005 1.49273 -0.03516 53 2PX 0.02018 0.00003 -0.18687 -0.00004 0.03157 54 2PY 0.05332 -0.00009 -0.18231 0.00005 -0.02258 55 2PZ -0.25998 0.00116 -0.05189 0.00001 -0.00948 56 3S -0.00002 -0.00024 -0.00005 0.10231 -0.08396 57 3PX -0.01804 -0.00012 0.16674 -0.41882 -0.08034 58 3PY -0.04756 0.00018 0.16276 0.41435 -0.08902 59 3PZ 0.23205 -0.00102 0.04632 0.05242 0.11769 60 4XX 0.05606 0.00012 -0.51892 -0.27130 -0.00498 61 4YY -0.14647 0.00028 0.50087 -0.27410 0.01123 62 4ZZ 0.09040 -0.00040 0.01803 -0.40036 0.03476 63 4XY 0.05344 -0.00023 0.00412 -0.14977 0.03863 64 4XZ -0.42089 0.00185 -0.04568 -0.01894 0.01174 65 4YZ 0.40170 -0.00181 0.11892 0.01874 -0.01049 66 8 B 1S 0.00000 0.00000 0.00000 -0.03640 -0.00825 67 2S 0.00005 -0.00002 0.00006 1.49273 0.03513 68 2PX -0.02020 -0.00003 0.18686 0.00004 0.03156 69 2PY -0.05330 0.00010 0.18231 -0.00004 -0.02257 70 2PZ 0.25999 -0.00116 0.05189 -0.00001 -0.00947 71 3S -0.00008 -0.00024 -0.00007 0.10230 0.08407 72 3PX 0.01807 0.00012 -0.16673 0.41882 -0.08040 73 3PY 0.04753 -0.00017 -0.16276 -0.41435 -0.08896 74 3PZ -0.23205 0.00102 -0.04632 -0.05244 0.11770 75 4XX 0.05605 0.00011 -0.51892 -0.27130 0.00499 76 4YY -0.14648 0.00030 0.50087 -0.27410 -0.01122 77 4ZZ 0.09041 -0.00040 0.01803 -0.40036 -0.03475 78 4XY 0.05345 -0.00023 0.00413 -0.14977 -0.03862 79 4XZ -0.42089 0.00185 -0.04568 -0.01895 -0.01174 80 4YZ 0.40169 -0.00181 0.11892 0.01875 0.01050 81 9 B 1S 0.00000 -0.00001 0.00000 -0.03640 0.06122 82 2S 0.00001 -0.00010 0.00006 1.49274 -0.26084 83 2PX -0.00081 -0.01960 0.18846 -0.00005 0.20429 84 2PY 0.00050 -0.05249 -0.18650 -0.00004 0.19943 85 2PZ 0.00121 0.26020 -0.02342 0.00000 0.04834 86 3S 0.00012 0.00016 -0.00009 0.10225 -0.62355 87 3PX 0.00077 0.01758 -0.16826 -0.41543 -0.04529 88 3PY -0.00041 0.04693 0.16640 -0.40561 -0.04389 89 3PZ -0.00107 -0.23222 0.02089 -0.11310 0.12944 90 4XX -0.00224 -0.05394 0.51908 -0.27346 0.01783 91 4YY 0.00134 -0.14112 -0.50153 -0.27946 0.02973 92 4ZZ 0.00091 0.19509 -0.01757 -0.39285 0.25671 93 4XY -0.00048 -0.11388 -0.00398 0.14540 -0.28656 94 4XZ 0.00158 0.40532 0.04433 0.04055 -0.07243 95 4YZ 0.00210 0.38128 -0.11709 0.03960 -0.07071 96 10 B 1S 0.00000 0.00000 0.00000 -0.03640 -0.08929 97 2S 0.00005 -0.00009 0.00001 1.49269 0.38045 98 2PX 0.18765 -0.18775 0.00061 -0.00001 0.03477 99 2PY -0.18724 -0.18170 -0.00085 0.00001 0.08633 100 2PZ -0.02381 -0.05078 -0.00012 -0.00006 -0.41189 101 3S -0.00007 0.00011 0.00015 0.10258 0.90944 102 3PX -0.16748 0.16757 -0.00054 0.04326 -0.07971 103 3PY 0.16713 0.16216 0.00074 0.11686 -0.06686 104 3PZ 0.02120 0.04543 0.00019 -0.57800 0.03593 105 4XX -0.05382 0.05386 -0.00017 -0.40101 -0.39206 106 4YY 0.14513 0.14085 0.00065 -0.39220 -0.36617 107 4ZZ -0.09132 -0.19467 -0.00049 -0.15255 0.31443 108 4XY -0.05298 0.11409 -0.00013 0.00437 0.01389 109 4XZ 0.41930 -0.40718 0.00136 -0.02162 -0.06710 110 4YZ -0.40379 -0.37947 -0.00183 -0.05834 -0.17040 111 11 H 1S 0.00000 0.00000 0.00000 -0.11128 -0.33503 112 2S -0.00003 0.00005 0.00001 -0.55118 -0.39977 113 3PX 0.32147 -0.32164 0.00104 0.03204 0.05693 114 3PY -0.32077 -0.31128 -0.00146 0.08661 0.14889 115 3PZ -0.04081 -0.08698 -0.00022 -0.42845 -0.72665 116 12 H 1S 0.00000 0.00000 0.00000 -0.11127 0.33503 117 2S -0.00003 0.00005 0.00001 -0.55118 0.39978 118 3PX -0.32148 0.32163 -0.00104 -0.03204 0.05693 119 3PY 0.32078 0.31127 0.00146 -0.08661 0.14890 120 3PZ 0.04081 0.08698 0.00022 0.42844 -0.72665 111 112 113 114 115 V V V V V Eigenvalues -- 3.46691 3.46691 3.68729 3.68729 4.25387 1 1 H 1S -0.11108 0.31759 0.14327 -0.28334 -0.11911 2 2S -0.13256 0.37898 0.23390 -0.46254 -0.10296 3 3PX -0.17679 0.49357 0.19331 -0.38228 -0.09155 4 3PY -0.16521 0.48448 0.18873 -0.37324 -0.08889 5 3PZ -0.04819 0.13774 0.05263 -0.10406 -0.13992 6 2 H 1S 0.37593 0.15387 0.17374 0.26575 0.01823 7 2S 0.44860 0.18360 0.28364 0.43382 0.01578 8 3PX -0.59203 -0.23906 -0.23634 -0.36150 0.03697 9 3PY 0.58403 0.24179 0.23383 0.35764 0.08269 10 3PZ 0.07223 0.03387 0.02959 0.04527 -0.09561 11 3 H 1S 0.11108 -0.31758 0.14327 -0.28334 0.11910 12 2S 0.13254 -0.37895 0.23389 -0.46254 0.10292 13 3PX -0.17678 0.49357 -0.19331 0.38229 -0.09154 14 3PY -0.16520 0.48448 -0.18872 0.37324 -0.08889 15 3PZ -0.04819 0.13775 -0.05263 0.10408 -0.13992 16 4 H 1S -0.37593 -0.15387 0.17374 0.26575 -0.01823 17 2S -0.44858 -0.18364 0.28364 0.43382 -0.01574 18 3PX -0.59202 -0.23907 0.23634 0.36150 0.03698 19 3PY 0.58402 0.24180 -0.23383 -0.35764 0.08269 20 3PZ 0.07222 0.03387 -0.02958 -0.04526 -0.09561 21 5 B 1S 0.02955 -0.05424 -0.14732 0.00817 0.34171 22 2S -0.12595 0.23116 1.33748 -0.07417 -1.95199 23 2PX 0.00292 -0.01633 -0.02532 0.00141 0.00347 24 2PY 0.03158 -0.04378 -0.06845 0.00380 0.01028 25 2PZ -0.13635 0.25231 0.33855 -0.01878 -0.05252 26 3S -0.30098 0.55246 0.13568 -0.00753 -2.22709 27 3PX 0.14100 -0.04477 -0.03531 0.00195 -0.24686 28 3PY -0.08093 -0.12810 -0.09541 0.00528 -0.32729 29 3PZ 0.01251 -0.06291 0.47191 -0.02618 0.97843 30 4XX 0.13136 -0.23907 -0.84521 0.04606 1.32408 31 4YY 0.11969 -0.22678 -0.81658 0.04322 1.34410 32 4ZZ -0.10414 0.19621 -0.03612 0.00488 1.52287 33 4XY -0.00244 0.00614 0.02050 0.11262 0.02829 34 4XZ 0.00994 -0.03416 -0.06900 0.02675 -0.11364 35 4YZ 0.06073 -0.09177 -0.18945 0.01852 -0.12061 36 6 B 1S 0.02961 -0.08464 0.06658 -0.13167 -0.19557 37 2S -0.12615 0.36063 -0.60446 1.19544 1.11719 38 2PX -0.10380 0.27849 -0.10992 0.21739 0.02143 39 2PY -0.08994 0.27589 -0.10731 0.21224 0.02092 40 2PZ -0.02836 0.08103 -0.02993 0.05917 0.00682 41 3S -0.30157 0.86216 -0.06131 0.12131 1.27458 42 3PX 0.11934 0.01511 -0.15323 0.30302 -0.46742 43 3PY -0.10562 -0.06317 -0.14961 0.29584 -0.45793 44 3PZ 0.03447 -0.09771 -0.04171 0.08249 0.24919 45 4XX -0.00027 -0.03173 0.14972 -0.40671 -0.85728 46 4YY 0.02569 -0.04091 0.16257 -0.42226 -0.85332 47 4ZZ 0.12174 -0.34807 0.45505 -0.68863 -0.68805 48 4XY -0.13691 0.39235 -0.16100 0.44984 -0.12149 49 4XZ -0.04155 0.11364 -0.06054 0.11751 0.11469 50 4YZ -0.03738 0.11207 -0.08470 0.10179 0.11180 51 7 B 1S -0.10019 -0.04101 0.08074 0.12350 0.02994 52 2S 0.42689 0.17479 -0.73303 -1.12121 -0.17104 53 2PX -0.33697 -0.13290 0.13439 0.20557 0.00288 54 2PY 0.33076 0.13962 -0.13296 -0.20337 -0.00386 55 2PZ 0.03926 0.02271 -0.01682 -0.02574 0.00042 56 3S 1.02051 0.41761 -0.07435 -0.11377 -0.19509 57 3PX 0.07195 -0.06851 0.18735 0.28653 -0.23940 58 3PY -0.02016 -0.09079 -0.18535 -0.28348 -0.15356 59 3PZ 0.04820 -0.10956 -0.02346 -0.03588 0.32779 60 4XX -0.02257 -0.01826 0.19069 0.38141 0.24667 61 4YY -0.03617 -0.00730 0.20044 0.38585 -0.02202 62 4ZZ -0.43926 -0.17833 0.53942 0.65610 0.14256 63 4XY -0.48012 -0.19577 0.22179 0.43842 0.00456 64 4XZ -0.05805 -0.02997 0.01382 0.06481 -0.13742 65 4YZ 0.05710 0.03071 -0.06499 -0.03056 0.11653 66 8 B 1S 0.10019 0.04101 0.08074 0.12350 -0.02993 67 2S -0.42691 -0.17476 -0.73304 -1.12120 0.17097 68 2PX -0.33697 -0.13289 -0.13439 -0.20556 0.00287 69 2PY 0.33076 0.13961 0.13296 0.20337 -0.00385 70 2PZ 0.03925 0.02270 0.01683 0.02575 0.00042 71 3S -1.02044 -0.41773 -0.07435 -0.11377 0.19514 72 3PX 0.07192 -0.06844 -0.18735 -0.28653 -0.23945 73 3PY -0.02012 -0.09086 0.18535 0.28348 -0.15351 74 3PZ 0.04821 -0.10956 0.02346 0.03588 0.32780 75 4XX 0.02258 0.01825 0.19070 0.38141 -0.24663 76 4YY 0.03617 0.00730 0.20045 0.38584 0.02206 77 4ZZ 0.43925 0.17831 0.53942 0.65610 -0.14254 78 4XY 0.48013 0.19576 0.22179 0.43842 -0.00455 79 4XZ 0.05808 0.02998 0.01382 0.06481 0.13743 80 4YZ -0.05713 -0.03072 -0.06500 -0.03056 -0.11653 81 9 B 1S -0.02961 0.08464 0.06658 -0.13167 0.19556 82 2S 0.12616 -0.36065 -0.60449 1.19543 -1.11710 83 2PX -0.10380 0.27849 0.10992 -0.21739 0.02143 84 2PY -0.08994 0.27590 0.10732 -0.21224 0.02091 85 2PZ -0.02836 0.08104 0.02992 -0.05917 0.00681 86 3S 0.30150 -0.86208 -0.06132 0.12130 -1.27464 87 3PX 0.11930 0.01515 0.15323 -0.30301 -0.46749 88 3PY -0.10566 -0.06313 0.14961 -0.29584 -0.45800 89 3PZ 0.03446 -0.09770 0.04171 -0.08249 0.24918 90 4XX 0.00026 0.03174 0.14973 -0.40670 0.85723 91 4YY -0.02568 0.04090 0.16258 -0.42225 0.85327 92 4ZZ -0.12175 0.34808 0.45506 -0.68862 0.68800 93 4XY 0.13692 -0.39237 -0.16101 0.44984 0.12150 94 4XZ 0.04154 -0.11362 -0.06054 0.11751 -0.11470 95 4YZ 0.03737 -0.11204 -0.08470 0.10179 -0.11181 96 10 B 1S -0.02955 0.05424 -0.14732 0.00818 -0.34171 97 2S 0.12595 -0.23116 1.33748 -0.07428 1.95197 98 2PX 0.00291 -0.01634 0.02533 -0.00141 0.00348 99 2PY 0.03160 -0.04378 0.06845 -0.00381 0.01028 100 2PZ -0.13635 0.25231 -0.33855 0.01879 -0.05252 101 3S 0.30099 -0.55241 0.13568 -0.00754 2.22711 102 3PX 0.14100 -0.04478 0.03531 -0.00196 -0.24687 103 3PY -0.08093 -0.12811 0.09541 -0.00529 -0.32731 104 3PZ 0.01251 -0.06288 -0.47191 0.02619 0.97845 105 4XX -0.13136 0.23907 -0.84521 0.04613 -1.32407 106 4YY -0.11970 0.22679 -0.81658 0.04328 -1.34410 107 4ZZ 0.10414 -0.19621 -0.03612 0.00490 -1.52286 108 4XY 0.00244 -0.00614 0.02050 0.11262 -0.02829 109 4XZ -0.00996 0.03414 -0.06900 0.02675 0.11364 110 4YZ -0.06070 0.09176 -0.18945 0.01853 0.12062 111 11 H 1S -0.11088 0.20352 -0.31702 0.01760 0.20814 112 2S -0.13232 0.24286 -0.51753 0.02873 0.17994 113 3PX 0.01326 -0.03148 0.04455 -0.00248 0.03278 114 3PY 0.05124 -0.08483 0.12037 -0.00669 -0.01525 115 3PZ -0.24052 0.44278 -0.59535 0.03305 0.27109 116 12 H 1S 0.11088 -0.20352 -0.31702 0.01759 -0.20814 117 2S 0.13232 -0.24285 -0.51753 0.02871 -0.17993 118 3PX 0.01327 -0.03147 -0.04454 0.00247 0.03278 119 3PY 0.05123 -0.08482 -0.12036 0.00669 -0.01525 120 3PZ -0.24052 0.44278 0.59535 -0.03303 0.27108 116 117 118 119 120 V V V V V Eigenvalues -- 4.25388 4.25388 4.39534 4.43936 4.43937 1 1 H 1S 0.09863 -0.18419 -0.21712 -0.14587 0.35840 2 2S 0.08525 -0.15923 -0.76223 -0.19573 0.48064 3 3PX 0.01238 -0.21563 -0.22597 -0.13288 0.32645 4 3PY 0.17239 -0.12499 -0.22062 -0.12974 0.31873 5 3PZ -0.00543 0.01096 -0.06151 -0.03617 0.08887 6 2 H 1S -0.20630 -0.12227 -0.21715 -0.23751 -0.30546 7 2S -0.17832 -0.10570 -0.76224 -0.31861 -0.40957 8 3PX 0.15191 0.17667 0.22785 0.21812 0.28051 9 3PY -0.21303 -0.05116 -0.22543 -0.21580 -0.27752 10 3PZ -0.07292 0.05524 -0.02854 -0.02731 -0.03513 11 3 H 1S -0.09863 0.18419 -0.21712 -0.14587 0.35840 12 2S -0.08527 0.15925 -0.76223 -0.19573 0.48064 13 3PX 0.01238 -0.21563 0.22597 0.13288 -0.32646 14 3PY 0.17239 -0.12500 0.22062 0.12973 -0.31873 15 3PZ -0.00543 0.01096 0.06152 0.03617 -0.08888 16 4 H 1S 0.20630 0.12227 -0.21715 -0.23751 -0.30546 17 2S 0.17836 0.10567 -0.76224 -0.31861 -0.40957 18 3PX 0.15192 0.17666 -0.22785 -0.21812 -0.28052 19 3PY -0.21303 -0.05115 0.22542 0.21580 0.27752 20 3PZ -0.07291 0.05524 0.02853 0.02731 0.03512 21 5 B 1S 0.12235 -0.15547 0.34347 -0.24920 0.03438 22 2S -0.69891 0.88811 -0.03768 1.92328 -0.26546 23 2PX 0.00240 -0.00199 0.02000 0.00087 -0.00012 24 2PY 0.00344 -0.00581 0.05405 0.00233 -0.00033 25 2PZ -0.01877 0.02364 -0.26734 -0.01152 0.00161 26 3S -0.79744 1.01333 -0.16860 2.54207 -0.35080 27 3PX 0.35384 -0.04111 -0.09191 0.11563 -0.01595 28 3PY -0.20958 -0.28157 -0.24831 0.31251 -0.04311 29 3PZ 0.36470 -0.54370 1.22815 -1.54579 0.21330 30 4XX 0.44265 -0.59153 0.73026 -0.98925 0.13623 31 4YY 0.49901 -0.52883 0.73781 -1.01920 0.13996 32 4ZZ 0.55894 -0.78651 0.94317 -1.83160 0.25369 33 4XY -0.03513 0.02182 0.00375 -0.00981 0.03815 34 4XZ 0.20137 -0.02844 -0.01850 0.07419 -0.00282 35 4YZ -0.09548 -0.17040 -0.04999 0.19814 -0.02474 36 6 B 1S 0.16193 -0.30239 0.34337 0.09494 -0.23313 37 2S -0.92502 1.72734 -0.03674 -0.73171 1.79831 38 2PX -0.01720 0.03376 -0.19207 0.00307 -0.00766 39 2PY -0.01816 0.03223 -0.18753 0.00300 -0.00748 40 2PZ -0.00461 0.00859 -0.05228 0.00084 -0.00209 41 3S -1.05544 1.97082 -0.16794 -0.96718 2.37719 42 3PX 0.59471 -0.48046 0.88212 0.42285 -1.03882 43 3PY 0.05591 -0.74905 0.86125 0.41283 -1.01421 44 3PZ 0.19069 -0.35880 0.24019 0.11510 -0.28279 45 4XX 0.85160 -1.15999 0.83894 0.52639 -1.33578 46 4YY 0.49100 -1.34663 0.83378 0.51993 -1.31609 47 4ZZ 0.64349 -1.20213 0.73678 0.41550 -0.93953 48 4XY 0.05305 -0.11068 0.12437 0.20525 -0.45388 49 4XZ 0.08382 -0.08999 0.03469 0.05201 -0.12868 50 4YZ 0.02553 -0.11790 0.03387 0.04225 -0.12910 51 7 B 1S -0.33869 -0.20074 0.34338 0.15454 0.19866 52 2S 1.93474 1.14673 -0.03688 -1.19154 -1.53284 53 2PX -0.03734 -0.02287 0.19364 -0.00508 -0.00662 54 2PY 0.03748 0.02158 -0.19158 0.00503 0.00655 55 2PZ 0.00514 0.00220 -0.02425 0.00063 0.00083 56 3S 2.20746 1.30833 -0.16801 -1.57501 -2.02624 57 3PX 0.84229 0.21561 -0.88941 -0.69408 -0.89257 58 3PY -0.62799 -0.61800 0.87991 0.68669 0.88309 59 3PZ 0.07094 -0.28023 0.11133 0.08691 0.11176 60 4XX -1.50564 -0.69717 0.84086 0.87325 1.14871 61 4YY -1.36140 -0.97434 0.83848 0.86886 1.14009 62 4ZZ -1.28700 -0.79059 0.73042 0.63799 0.77206 63 4XY 0.15448 0.07775 -0.12815 -0.32843 -0.39408 64 4XZ -0.04024 0.09012 -0.01621 -0.04588 -0.04652 65 4YZ 0.05003 -0.10931 0.01604 0.02985 0.05810 66 8 B 1S 0.33870 0.20074 0.34339 0.15454 0.19866 67 2S -1.93479 -1.14668 -0.03690 -1.19154 -1.53283 68 2PX -0.03734 -0.02287 -0.19365 0.00508 0.00662 69 2PY 0.03748 0.02157 0.19158 -0.00503 -0.00655 70 2PZ 0.00514 0.00220 0.02424 -0.00063 -0.00083 71 3S -2.20743 -1.30837 -0.16806 -1.57502 -2.02620 72 3PX 0.84225 0.21565 0.88942 0.69409 0.89256 73 3PY -0.62795 -0.61803 -0.87993 -0.68670 -0.88308 74 3PZ 0.07094 -0.28024 -0.11136 -0.08692 -0.11178 75 4XX 1.50565 0.69715 0.84088 0.87325 1.14870 76 4YY 1.36142 0.97431 0.83850 0.86886 1.14008 77 4ZZ 1.28702 0.79057 0.73044 0.63800 0.77206 78 4XY -0.15448 -0.07776 -0.12815 -0.32843 -0.39408 79 4XZ 0.04023 -0.09013 -0.01622 -0.04589 -0.04653 80 4YZ -0.05002 0.10931 0.01605 0.02986 0.05811 81 9 B 1S -0.16194 0.30239 0.34337 0.09494 -0.23313 82 2S 0.92508 -1.72737 -0.03674 -0.73172 1.79831 83 2PX -0.01720 0.03376 0.19207 -0.00307 0.00766 84 2PY -0.01816 0.03223 0.18752 -0.00300 0.00748 85 2PZ -0.00461 0.00859 0.05229 -0.00084 0.00209 86 3S 1.05541 -1.97080 -0.16794 -0.96723 2.37717 87 3PX 0.59469 -0.48043 -0.88212 -0.42286 1.03882 88 3PY 0.05589 -0.74902 -0.86127 -0.41285 1.01422 89 3PZ 0.19068 -0.35879 -0.24014 -0.11510 0.28276 90 4XX -0.85163 1.16001 0.83894 0.52641 -1.33577 91 4YY -0.49104 1.34664 0.83379 0.51995 -1.31609 92 4ZZ -0.64352 1.20213 0.73678 0.41551 -0.93952 93 4XY -0.05305 0.11068 0.12437 0.20526 -0.45388 94 4XZ -0.08382 0.08998 0.03468 0.05201 -0.12867 95 4YZ -0.02553 0.11789 0.03387 0.04225 -0.12909 96 10 B 1S -0.12235 0.15547 0.34347 -0.24920 0.03439 97 2S 0.69891 -0.88813 -0.03767 1.92328 -0.26551 98 2PX 0.00240 -0.00198 -0.02000 -0.00087 0.00012 99 2PY 0.00343 -0.00580 -0.05405 -0.00233 0.00033 100 2PZ -0.01877 0.02364 0.26734 0.01153 -0.00159 101 3S 0.79744 -1.01332 -0.16857 2.54205 -0.35101 102 3PX 0.35383 -0.04113 0.09192 -0.11563 0.01595 103 3PY -0.20957 -0.28158 0.24831 -0.31251 0.04313 104 3PZ 0.36472 -0.54368 -1.22814 1.54578 -0.21337 105 4XX -0.44266 0.59153 0.73025 -0.98925 0.13628 106 4YY -0.49901 0.52884 0.73780 -1.01920 0.14001 107 4ZZ -0.55895 0.78651 0.94316 -1.83159 0.25377 108 4XY 0.03514 -0.02182 0.00374 -0.00981 0.03815 109 4XZ -0.20137 0.02845 -0.01851 0.07419 -0.00282 110 4YZ 0.09547 0.17041 -0.04999 0.19814 -0.02475 111 11 H 1S 0.07452 -0.09470 -0.21729 0.38322 -0.05290 112 2S 0.06441 -0.08185 -0.76234 0.51373 -0.07089 113 3PX -0.12336 0.03197 0.02354 -0.03635 0.00502 114 3PY 0.02277 0.13846 0.06363 -0.09822 0.01356 115 3PZ 0.09265 -0.09324 -0.31473 0.48584 -0.06706 116 12 H 1S -0.07452 0.09470 -0.21729 0.38322 -0.05288 117 2S -0.06440 0.08187 -0.76234 0.51373 -0.07088 118 3PX -0.12337 0.03196 -0.02354 0.03635 -0.00502 119 3PY 0.02277 0.13846 -0.06363 0.09822 -0.01356 120 3PZ 0.09265 -0.09325 0.31474 -0.48584 0.06704 Alpha Density Matrix: 1 2 3 4 5 1 1 H 1S 0.10115 2 2S 0.14483 0.23139 3 3PX 0.00285 0.00388 0.00011 4 3PY 0.00278 0.00379 0.00006 0.00011 5 3PZ 0.00078 0.00106 0.00002 0.00002 0.00006 6 2 H 1S -0.00327 -0.00437 -0.00024 0.00023 0.00003 7 2S -0.00437 -0.00507 -0.00067 0.00065 0.00008 8 3PX 0.00024 0.00066 -0.00002 0.00002 0.00000 9 3PY 0.00022 0.00064 -0.00002 0.00003 0.00000 10 3PZ 0.00006 0.00018 -0.00001 0.00001 0.00001 11 3 H 1S -0.00645 -0.02940 -0.00003 -0.00003 -0.00001 12 2S -0.02940 -0.08916 -0.00041 -0.00040 -0.00011 13 3PX 0.00003 0.00041 -0.00002 0.00001 0.00000 14 3PY 0.00003 0.00040 0.00001 -0.00002 0.00000 15 3PZ 0.00001 0.00011 0.00000 0.00000 -0.00003 16 4 H 1S -0.00327 -0.00437 0.00023 -0.00024 -0.00003 17 2S -0.00437 -0.00507 0.00066 -0.00066 -0.00008 18 3PX 0.00023 0.00065 0.00003 -0.00002 0.00000 19 3PY 0.00024 0.00065 0.00002 -0.00002 0.00000 20 3PZ 0.00006 0.00018 0.00001 -0.00001 0.00001 21 5 B 1S 0.00252 0.00621 0.00008 0.00014 -0.00043 22 2S -0.00760 -0.01353 -0.00030 -0.00036 0.00045 23 2PX 0.00873 0.03356 0.00045 -0.00006 -0.00120 24 2PY 0.00816 0.03191 -0.00025 0.00053 -0.00101 25 2PZ 0.00519 0.01589 0.00029 0.00050 -0.00096 26 3S 0.00851 0.00831 0.00021 0.00014 0.00055 27 3PX -0.00029 0.00687 0.00008 -0.00003 -0.00082 28 3PY 0.00033 0.00751 -0.00011 0.00020 -0.00080 29 3PZ -0.00498 -0.00450 -0.00016 -0.00013 -0.00001 30 4XX 0.00089 0.00144 -0.00005 0.00009 0.00004 31 4YY 0.00087 0.00186 0.00008 -0.00004 0.00001 32 4ZZ -0.00102 -0.00271 -0.00002 -0.00004 0.00001 33 4XY 0.00165 0.00262 0.00005 0.00004 0.00000 34 4XZ 0.00020 -0.00187 -0.00002 0.00005 0.00006 35 4YZ 0.00027 -0.00159 0.00007 -0.00003 0.00006 36 6 B 1S -0.00629 -0.02118 -0.00013 -0.00013 -0.00004 37 2S 0.00850 0.03077 -0.00011 -0.00011 -0.00003 38 2PX -0.00781 -0.03582 -0.00049 0.00062 0.00017 39 2PY -0.00762 -0.03497 0.00062 -0.00052 0.00017 40 2PZ -0.00213 -0.00975 0.00017 0.00017 -0.00108 41 3S 0.02490 0.05389 0.00052 0.00051 0.00014 42 3PX 0.00865 0.01801 -0.00030 0.00059 0.00017 43 3PY 0.00845 0.01758 0.00059 -0.00033 0.00016 44 3PZ 0.00236 0.00491 0.00016 0.00016 -0.00086 45 4XX -0.00004 0.00028 0.00000 -0.00001 0.00000 46 4YY 0.00001 0.00041 -0.00001 0.00000 0.00000 47 4ZZ 0.00097 0.00284 0.00002 0.00002 0.00001 48 4XY -0.00123 -0.00312 -0.00004 -0.00003 -0.00001 49 4XZ -0.00034 -0.00087 -0.00001 -0.00001 0.00000 50 4YZ -0.00034 -0.00085 -0.00001 -0.00001 0.00000 51 7 B 1S 0.00252 0.00621 0.00037 -0.00027 -0.00003 52 2S -0.00760 -0.01353 -0.00065 0.00012 -0.00002 53 2PX 0.00693 0.02926 0.00039 -0.00063 -0.00015 54 2PY 0.01070 0.03799 0.00146 -0.00098 -0.00022 55 2PZ 0.00268 0.00987 0.00028 -0.00038 0.00060 56 3S 0.00851 0.00831 -0.00010 0.00058 0.00011 57 3PX 0.00283 0.01093 0.00067 -0.00067 -0.00010 58 3PY -0.00408 0.00177 0.00025 -0.00058 -0.00014 59 3PZ -0.00061 0.00118 0.00009 -0.00021 0.00018 60 4XX 0.00098 0.00378 0.00004 -0.00004 0.00000 61 4YY 0.00022 -0.00259 -0.00003 0.00007 0.00006 62 4ZZ -0.00046 -0.00060 -0.00003 0.00003 -0.00005 63 4XY 0.00184 0.00253 0.00004 0.00007 0.00003 64 4XZ 0.00050 0.00089 0.00002 0.00002 -0.00003 65 4YZ 0.00032 -0.00027 0.00001 0.00005 -0.00011 66 8 B 1S 0.00252 0.00621 -0.00027 0.00036 0.00005 67 2S -0.00760 -0.01353 0.00012 -0.00064 -0.00012 68 2PX 0.01093 0.03885 -0.00103 0.00147 0.00017 69 2PY 0.00674 0.02850 -0.00062 0.00040 -0.00010 70 2PZ 0.00218 0.00867 -0.00025 0.00006 0.00065 71 3S 0.00851 0.00831 0.00059 -0.00010 0.00002 72 3PX -0.00413 0.00187 -0.00061 0.00026 -0.00001 73 3PY 0.00281 0.01073 -0.00066 0.00066 0.00004 74 3PZ 0.00026 0.00231 -0.00020 0.00011 0.00022 75 4XX 0.00027 -0.00263 0.00008 -0.00003 0.00002 76 4YY 0.00090 0.00360 -0.00004 0.00003 0.00002 77 4ZZ -0.00044 -0.00038 0.00001 -0.00002 -0.00003 78 4XY 0.00185 0.00258 0.00007 0.00004 0.00004 79 4XZ 0.00044 0.00035 0.00003 0.00003 -0.00012 80 4YZ 0.00048 0.00118 0.00000 0.00003 -0.00003 81 9 B 1S -0.03122 -0.02713 -0.00130 -0.00127 -0.00035 82 2S 0.04922 0.03107 0.00160 0.00157 0.00044 83 2PX -0.06683 -0.11286 -0.00057 -0.00294 -0.00082 84 2PY -0.06524 -0.11019 -0.00294 -0.00043 -0.00080 85 2PZ -0.01819 -0.03072 -0.00082 -0.00080 0.00221 86 3S -0.01384 -0.04388 -0.00017 -0.00016 -0.00005 87 3PX -0.02112 -0.01774 -0.00002 -0.00131 -0.00037 88 3PY -0.02062 -0.01732 -0.00131 0.00005 -0.00036 89 3PZ -0.00575 -0.00483 -0.00037 -0.00036 0.00123 90 4XX 0.00056 0.00005 0.00011 -0.00006 -0.00002 91 4YY 0.00041 -0.00017 -0.00006 0.00010 -0.00002 92 4ZZ -0.00238 -0.00440 -0.00006 -0.00005 0.00003 93 4XY 0.00357 0.00542 0.00009 0.00009 0.00000 94 4XZ 0.00100 0.00151 0.00002 0.00000 0.00010 95 4YZ 0.00097 0.00148 0.00000 0.00002 0.00009 96 10 B 1S 0.00252 0.00621 0.00002 -0.00004 0.00046 97 2S -0.00760 -0.01353 -0.00022 -0.00015 -0.00060 98 2PX 0.00914 0.03454 0.00030 -0.00052 0.00125 99 2PY 0.00928 0.03458 -0.00033 0.00015 0.00140 100 2PZ -0.00033 0.00265 -0.00024 -0.00011 -0.00043 101 3S 0.00851 0.00831 0.00028 0.00034 -0.00041 102 3PX -0.00101 0.00593 -0.00005 -0.00035 0.00071 103 3PY -0.00161 0.00499 -0.00027 -0.00015 0.00068 104 3PZ 0.00463 0.00799 0.00005 0.00001 0.00047 105 4XX 0.00081 0.00078 -0.00005 0.00011 -0.00002 106 4YY 0.00067 0.00012 0.00012 -0.00004 -0.00005 107 4ZZ -0.00075 -0.00030 -0.00005 -0.00004 0.00002 108 4XY 0.00150 0.00122 0.00004 0.00005 0.00000 109 4XZ 0.00076 0.00313 0.00002 -0.00003 0.00004 110 4YZ 0.00079 0.00312 -0.00001 0.00001 0.00004 111 11 H 1S -0.00327 -0.00437 -0.00003 -0.00007 0.00033 112 2S -0.00437 -0.00507 -0.00007 -0.00019 0.00091 113 3PX 0.00024 0.00066 0.00001 -0.00001 0.00003 114 3PY 0.00023 0.00064 0.00000 0.00000 0.00003 115 3PZ 0.00006 0.00017 0.00000 0.00000 0.00002 116 12 H 1S -0.00327 -0.00437 0.00002 0.00006 -0.00033 117 2S -0.00437 -0.00507 0.00006 0.00018 -0.00092 118 3PX 0.00023 0.00066 0.00001 0.00000 -0.00003 119 3PY 0.00023 0.00064 0.00000 0.00002 -0.00003 120 3PZ 0.00007 0.00019 0.00000 0.00000 0.00000 6 7 8 9 10 6 2 H 1S 0.10115 7 2S 0.14483 0.23139 8 3PX -0.00287 -0.00391 0.00011 9 3PY 0.00284 0.00387 -0.00006 0.00011 10 3PZ 0.00036 0.00049 -0.00001 0.00001 0.00005 11 3 H 1S -0.00327 -0.00437 -0.00023 -0.00024 -0.00006 12 2S -0.00437 -0.00507 -0.00065 -0.00065 -0.00018 13 3PX -0.00023 -0.00066 0.00003 0.00002 0.00001 14 3PY 0.00024 0.00066 -0.00002 -0.00002 -0.00001 15 3PZ 0.00003 0.00008 0.00000 0.00000 0.00001 16 4 H 1S -0.00645 -0.02940 0.00003 -0.00003 0.00000 17 2S -0.02940 -0.08916 0.00041 -0.00041 -0.00005 18 3PX -0.00003 -0.00041 -0.00002 -0.00001 0.00000 19 3PY 0.00003 0.00041 -0.00001 -0.00002 0.00000 20 3PZ 0.00000 0.00005 0.00000 0.00000 -0.00003 21 5 B 1S 0.00252 0.00621 -0.00002 0.00014 -0.00044 22 2S -0.00760 -0.01353 0.00023 -0.00037 0.00049 23 2PX -0.00921 -0.03483 0.00029 -0.00001 0.00137 24 2PY 0.00835 0.03262 0.00040 0.00052 -0.00099 25 2PZ 0.00389 0.01092 -0.00010 0.00051 -0.00080 26 3S 0.00851 0.00831 -0.00029 0.00015 0.00051 27 3PX 0.00102 -0.00599 -0.00005 0.00005 0.00080 28 3PY 0.00032 0.00765 0.00023 0.00020 -0.00079 29 3PZ -0.00489 -0.00544 0.00015 -0.00013 0.00013 30 4XX 0.00084 0.00080 0.00004 0.00010 0.00006 31 4YY 0.00093 0.00195 -0.00008 -0.00004 0.00000 32 4ZZ -0.00103 -0.00216 0.00002 -0.00005 0.00000 33 4XY -0.00167 -0.00235 0.00005 -0.00004 0.00000 34 4XZ 0.00012 0.00244 0.00000 -0.00003 -0.00006 35 4YZ 0.00003 -0.00199 -0.00007 -0.00003 0.00005 36 6 B 1S 0.00252 0.00621 -0.00037 -0.00026 -0.00008 37 2S -0.00760 -0.01353 0.00064 0.00011 0.00007 38 2PX -0.00702 -0.02957 0.00040 0.00064 0.00011 39 2PY 0.01085 0.03861 -0.00144 -0.00096 -0.00043 40 2PZ 0.00167 0.00559 -0.00031 -0.00028 0.00057 41 3S 0.00851 0.00831 0.00009 0.00058 0.00012 42 3PX -0.00279 -0.01094 0.00067 0.00067 0.00017 43 3PY -0.00402 0.00200 -0.00026 -0.00058 -0.00018 44 3PZ -0.00102 -0.00041 -0.00002 -0.00011 0.00019 45 4XX 0.00100 0.00382 -0.00004 -0.00004 -0.00001 46 4YY 0.00028 -0.00250 0.00002 0.00007 0.00006 47 4ZZ -0.00056 -0.00073 0.00004 0.00002 -0.00003 48 4XY -0.00189 -0.00262 0.00004 -0.00008 -0.00001 49 4XZ -0.00025 -0.00015 0.00000 -0.00003 0.00004 50 4YZ 0.00005 -0.00064 0.00001 0.00004 -0.00012 51 7 B 1S -0.00629 -0.02118 0.00014 -0.00013 -0.00002 52 2S 0.00850 0.03077 0.00011 -0.00011 -0.00001 53 2PX 0.00787 0.03611 -0.00048 -0.00064 -0.00008 54 2PY -0.00779 -0.03573 -0.00064 -0.00049 0.00008 55 2PZ -0.00099 -0.00452 -0.00008 0.00008 -0.00112 56 3S 0.02490 0.05389 -0.00053 0.00052 0.00007 57 3PX -0.00872 -0.01816 -0.00029 -0.00061 -0.00008 58 3PY 0.00863 0.01796 -0.00061 -0.00030 0.00008 59 3PZ 0.00109 0.00227 -0.00008 0.00008 -0.00089 60 4XX -0.00006 0.00023 0.00000 -0.00001 0.00000 61 4YY -0.00004 0.00029 0.00001 0.00000 0.00000 62 4ZZ 0.00103 0.00300 -0.00002 0.00002 0.00000 63 4XY 0.00127 0.00321 -0.00004 0.00004 0.00001 64 4XZ 0.00016 0.00041 0.00000 0.00001 -0.00001 65 4YZ -0.00016 -0.00040 0.00001 0.00000 0.00001 66 8 B 1S -0.03122 -0.02713 0.00131 -0.00130 -0.00016 67 2S 0.04922 0.03107 -0.00162 0.00160 0.00020 68 2PX 0.06737 0.11378 -0.00062 0.00303 0.00038 69 2PY -0.06666 -0.11257 0.00303 -0.00056 -0.00038 70 2PZ -0.00844 -0.01425 0.00038 -0.00038 0.00239 71 3S -0.01384 -0.04387 0.00017 -0.00017 -0.00002 72 3PX 0.02129 0.01789 -0.00004 0.00135 0.00017 73 3PY -0.02107 -0.01770 0.00135 -0.00001 -0.00017 74 3PZ -0.00267 -0.00224 0.00017 -0.00017 0.00131 75 4XX 0.00061 0.00013 -0.00011 -0.00006 -0.00001 76 4YY 0.00054 0.00003 0.00006 0.00011 -0.00001 77 4ZZ -0.00256 -0.00468 0.00006 -0.00006 0.00001 78 4XY -0.00368 -0.00558 0.00009 -0.00009 0.00000 79 4XZ -0.00047 -0.00071 0.00001 0.00000 -0.00010 80 4YZ 0.00046 0.00070 0.00000 0.00001 0.00010 81 9 B 1S 0.00252 0.00621 0.00027 0.00036 0.00009 82 2S -0.00760 -0.01353 -0.00011 -0.00063 -0.00014 83 2PX -0.01099 -0.03909 -0.00102 -0.00144 -0.00042 84 2PY 0.00697 0.02932 0.00065 0.00041 0.00000 85 2PZ 0.00059 0.00300 0.00001 -0.00016 0.00062 86 3S 0.00851 0.00831 -0.00059 -0.00009 -0.00006 87 3PX 0.00411 -0.00197 -0.00061 -0.00025 -0.00011 88 3PY 0.00272 0.01077 0.00068 0.00065 0.00014 89 3PZ 0.00086 0.00203 0.00008 0.00007 0.00023 90 4XX 0.00029 -0.00259 -0.00008 -0.00002 -0.00003 91 4YY 0.00097 0.00370 0.00003 0.00003 0.00002 92 4ZZ -0.00053 -0.00051 -0.00001 -0.00003 0.00000 93 4XY -0.00188 -0.00257 0.00008 -0.00004 -0.00003 94 4XZ -0.00031 -0.00069 0.00000 -0.00003 0.00012 95 4YZ 0.00021 0.00081 0.00002 0.00002 -0.00003 96 10 B 1S 0.00252 0.00621 -0.00008 -0.00004 0.00045 97 2S -0.00760 -0.01353 0.00031 -0.00016 -0.00056 98 2PX -0.00880 -0.03383 0.00044 0.00052 -0.00110 99 2PY 0.00947 0.03530 0.00011 0.00013 0.00146 100 2PZ -0.00163 -0.00232 0.00037 -0.00004 -0.00056 101 3S 0.00851 0.00831 -0.00021 0.00034 -0.00045 102 3PX 0.00030 -0.00692 0.00008 0.00034 -0.00075 103 3PY -0.00162 0.00512 0.00016 -0.00016 0.00073 104 3PZ 0.00472 0.00706 -0.00010 0.00007 0.00035 105 4XX 0.00091 0.00147 0.00004 0.00010 0.00000 106 4YY 0.00073 0.00017 -0.00011 -0.00004 -0.00007 107 4ZZ -0.00091 -0.00105 0.00005 -0.00003 0.00002 108 4XY -0.00160 -0.00168 0.00004 -0.00006 0.00000 109 4XZ -0.00046 -0.00276 0.00003 0.00006 -0.00004 110 4YZ 0.00058 0.00297 0.00001 0.00000 0.00004 111 11 H 1S -0.00327 -0.00437 -0.00002 -0.00007 0.00033 112 2S -0.00437 -0.00507 -0.00006 -0.00019 0.00092 113 3PX -0.00024 -0.00066 0.00001 0.00001 -0.00003 114 3PY 0.00024 0.00066 0.00000 0.00000 0.00003 115 3PZ 0.00002 0.00007 0.00000 0.00000 0.00001 116 12 H 1S -0.00327 -0.00437 0.00003 0.00006 -0.00033 117 2S -0.00437 -0.00507 0.00007 0.00018 -0.00092 118 3PX -0.00024 -0.00066 0.00001 0.00000 0.00003 119 3PY 0.00023 0.00065 0.00000 0.00002 -0.00003 120 3PZ 0.00004 0.00009 0.00000 0.00000 0.00000 11 12 13 14 15 11 3 H 1S 0.10115 12 2S 0.14483 0.23139 13 3PX -0.00285 -0.00388 0.00011 14 3PY -0.00278 -0.00379 0.00006 0.00011 15 3PZ -0.00078 -0.00106 0.00002 0.00002 0.00006 16 4 H 1S -0.00327 -0.00437 0.00024 -0.00023 -0.00003 17 2S -0.00437 -0.00507 0.00067 -0.00065 -0.00008 18 3PX -0.00024 -0.00066 -0.00002 0.00002 0.00000 19 3PY -0.00022 -0.00064 -0.00002 0.00003 0.00000 20 3PZ -0.00006 -0.00018 -0.00001 0.00001 0.00001 21 5 B 1S 0.00252 0.00621 -0.00002 0.00004 -0.00046 22 2S -0.00760 -0.01353 0.00022 0.00015 0.00060 23 2PX -0.00914 -0.03454 0.00030 -0.00052 0.00125 24 2PY -0.00928 -0.03458 -0.00033 0.00015 0.00140 25 2PZ 0.00033 -0.00265 -0.00024 -0.00011 -0.00043 26 3S 0.00851 0.00831 -0.00028 -0.00034 0.00041 27 3PX 0.00101 -0.00593 -0.00005 -0.00035 0.00071 28 3PY 0.00161 -0.00498 -0.00027 -0.00015 0.00068 29 3PZ -0.00463 -0.00799 0.00005 0.00001 0.00047 30 4XX 0.00081 0.00078 0.00005 -0.00011 0.00002 31 4YY 0.00067 0.00012 -0.00012 0.00004 0.00005 32 4ZZ -0.00075 -0.00030 0.00005 0.00004 -0.00002 33 4XY 0.00150 0.00122 -0.00004 -0.00005 0.00000 34 4XZ 0.00076 0.00313 -0.00002 0.00003 -0.00004 35 4YZ 0.00079 0.00312 0.00001 -0.00001 -0.00004 36 6 B 1S -0.03122 -0.02713 0.00130 0.00127 0.00035 37 2S 0.04922 0.03107 -0.00160 -0.00157 -0.00044 38 2PX 0.06683 0.11286 -0.00057 -0.00294 -0.00082 39 2PY 0.06524 0.11019 -0.00294 -0.00043 -0.00080 40 2PZ 0.01819 0.03072 -0.00082 -0.00080 0.00221 41 3S -0.01384 -0.04388 0.00017 0.00016 0.00005 42 3PX 0.02112 0.01774 -0.00002 -0.00131 -0.00037 43 3PY 0.02062 0.01732 -0.00131 0.00005 -0.00036 44 3PZ 0.00575 0.00483 -0.00037 -0.00036 0.00123 45 4XX 0.00056 0.00005 -0.00011 0.00006 0.00002 46 4YY 0.00041 -0.00017 0.00006 -0.00010 0.00002 47 4ZZ -0.00238 -0.00440 0.00006 0.00005 -0.00003 48 4XY 0.00357 0.00542 -0.00009 -0.00009 0.00000 49 4XZ 0.00100 0.00151 -0.00002 0.00000 -0.00010 50 4YZ 0.00097 0.00148 0.00000 -0.00002 -0.00009 51 7 B 1S 0.00252 0.00621 0.00027 -0.00036 -0.00005 52 2S -0.00760 -0.01353 -0.00012 0.00064 0.00012 53 2PX -0.01093 -0.03885 -0.00103 0.00147 0.00017 54 2PY -0.00674 -0.02850 -0.00062 0.00040 -0.00010 55 2PZ -0.00218 -0.00867 -0.00025 0.00006 0.00065 56 3S 0.00851 0.00831 -0.00059 0.00010 -0.00002 57 3PX 0.00414 -0.00187 -0.00061 0.00026 -0.00001 58 3PY -0.00281 -0.01073 -0.00066 0.00066 0.00004 59 3PZ -0.00026 -0.00231 -0.00020 0.00011 0.00022 60 4XX 0.00027 -0.00263 -0.00008 0.00003 -0.00002 61 4YY 0.00090 0.00360 0.00004 -0.00003 -0.00002 62 4ZZ -0.00044 -0.00038 -0.00001 0.00002 0.00003 63 4XY 0.00185 0.00258 -0.00007 -0.00004 -0.00004 64 4XZ 0.00044 0.00035 -0.00003 -0.00003 0.00012 65 4YZ 0.00048 0.00118 0.00000 -0.00003 0.00003 66 8 B 1S 0.00252 0.00621 -0.00037 0.00027 0.00003 67 2S -0.00760 -0.01353 0.00065 -0.00012 0.00002 68 2PX -0.00693 -0.02926 0.00039 -0.00063 -0.00015 69 2PY -0.01070 -0.03799 0.00146 -0.00098 -0.00022 70 2PZ -0.00268 -0.00987 0.00028 -0.00038 0.00060 71 3S 0.00851 0.00831 0.00010 -0.00058 -0.00011 72 3PX -0.00283 -0.01093 0.00067 -0.00067 -0.00010 73 3PY 0.00408 -0.00177 0.00025 -0.00058 -0.00014 74 3PZ 0.00061 -0.00118 0.00009 -0.00021 0.00018 75 4XX 0.00098 0.00378 -0.00004 0.00004 0.00000 76 4YY 0.00022 -0.00259 0.00003 -0.00007 -0.00006 77 4ZZ -0.00046 -0.00060 0.00003 -0.00003 0.00005 78 4XY 0.00184 0.00253 -0.00004 -0.00007 -0.00003 79 4XZ 0.00050 0.00089 -0.00002 -0.00002 0.00003 80 4YZ 0.00032 -0.00027 -0.00001 -0.00005 0.00011 81 9 B 1S -0.00629 -0.02118 0.00013 0.00013 0.00004 82 2S 0.00850 0.03077 0.00011 0.00011 0.00003 83 2PX 0.00781 0.03582 -0.00049 0.00062 0.00017 84 2PY 0.00762 0.03497 0.00062 -0.00052 0.00017 85 2PZ 0.00213 0.00975 0.00017 0.00017 -0.00108 86 3S 0.02490 0.05389 -0.00052 -0.00051 -0.00014 87 3PX -0.00865 -0.01801 -0.00030 0.00059 0.00017 88 3PY -0.00845 -0.01758 0.00059 -0.00033 0.00016 89 3PZ -0.00235 -0.00490 0.00016 0.00016 -0.00086 90 4XX -0.00004 0.00028 0.00000 0.00001 0.00000 91 4YY 0.00001 0.00041 0.00001 0.00000 0.00000 92 4ZZ 0.00097 0.00284 -0.00002 -0.00002 -0.00001 93 4XY -0.00123 -0.00312 0.00004 0.00003 0.00001 94 4XZ -0.00034 -0.00087 0.00001 0.00001 0.00000 95 4YZ -0.00034 -0.00085 0.00001 0.00001 0.00000 96 10 B 1S 0.00252 0.00621 -0.00008 -0.00014 0.00043 97 2S -0.00760 -0.01352 0.00030 0.00036 -0.00045 98 2PX -0.00873 -0.03356 0.00045 -0.00006 -0.00120 99 2PY -0.00816 -0.03191 -0.00025 0.00053 -0.00101 100 2PZ -0.00519 -0.01589 0.00029 0.00050 -0.00096 101 3S 0.00851 0.00831 -0.00021 -0.00014 -0.00055 102 3PX 0.00029 -0.00687 0.00008 -0.00003 -0.00082 103 3PY -0.00033 -0.00752 -0.00011 0.00020 -0.00080 104 3PZ 0.00498 0.00450 -0.00016 -0.00013 -0.00001 105 4XX 0.00089 0.00144 0.00005 -0.00009 -0.00004 106 4YY 0.00087 0.00186 -0.00008 0.00004 -0.00001 107 4ZZ -0.00102 -0.00271 0.00002 0.00004 -0.00001 108 4XY 0.00165 0.00262 -0.00005 -0.00004 0.00000 109 4XZ 0.00020 -0.00187 0.00002 -0.00005 -0.00006 110 4YZ 0.00027 -0.00159 -0.00007 0.00003 -0.00006 111 11 H 1S -0.00327 -0.00437 -0.00002 -0.00006 0.00033 112 2S -0.00437 -0.00507 -0.00006 -0.00018 0.00092 113 3PX -0.00023 -0.00066 0.00001 0.00000 -0.00003 114 3PY -0.00023 -0.00064 0.00000 0.00002 -0.00003 115 3PZ -0.00007 -0.00019 0.00000 0.00000 0.00000 116 12 H 1S -0.00327 -0.00437 0.00003 0.00007 -0.00033 117 2S -0.00437 -0.00507 0.00007 0.00019 -0.00091 118 3PX -0.00024 -0.00066 0.00001 -0.00001 0.00003 119 3PY -0.00023 -0.00064 0.00000 0.00000 0.00003 120 3PZ -0.00006 -0.00017 0.00000 0.00000 0.00002 16 17 18 19 20 16 4 H 1S 0.10115 17 2S 0.14483 0.23139 18 3PX 0.00287 0.00391 0.00011 19 3PY -0.00284 -0.00387 -0.00006 0.00011 20 3PZ -0.00036 -0.00049 -0.00001 0.00001 0.00005 21 5 B 1S 0.00252 0.00621 0.00008 0.00004 -0.00045 22 2S -0.00760 -0.01353 -0.00031 0.00016 0.00056 23 2PX 0.00880 0.03384 0.00044 0.00052 -0.00110 24 2PY -0.00947 -0.03530 0.00011 0.00013 0.00146 25 2PZ 0.00163 0.00232 0.00037 -0.00004 -0.00056 26 3S 0.00851 0.00831 0.00021 -0.00034 0.00045 27 3PX -0.00030 0.00692 0.00008 0.00034 -0.00075 28 3PY 0.00162 -0.00512 0.00016 -0.00016 0.00073 29 3PZ -0.00472 -0.00706 -0.00010 0.00007 0.00035 30 4XX 0.00091 0.00147 -0.00004 -0.00010 0.00000 31 4YY 0.00073 0.00017 0.00011 0.00004 0.00007 32 4ZZ -0.00091 -0.00105 -0.00005 0.00003 -0.00002 33 4XY -0.00160 -0.00168 -0.00004 0.00006 0.00000 34 4XZ -0.00046 -0.00276 -0.00003 -0.00006 0.00004 35 4YZ 0.00058 0.00297 -0.00001 0.00000 -0.00004 36 6 B 1S 0.00252 0.00621 -0.00027 -0.00036 -0.00009 37 2S -0.00760 -0.01353 0.00011 0.00063 0.00014 38 2PX 0.01099 0.03909 -0.00102 -0.00144 -0.00042 39 2PY -0.00697 -0.02932 0.00065 0.00041 0.00000 40 2PZ -0.00059 -0.00301 0.00001 -0.00016 0.00062 41 3S 0.00851 0.00831 0.00059 0.00009 0.00006 42 3PX -0.00411 0.00197 -0.00061 -0.00025 -0.00011 43 3PY -0.00272 -0.01077 0.00068 0.00065 0.00014 44 3PZ -0.00086 -0.00203 0.00008 0.00007 0.00023 45 4XX 0.00029 -0.00259 0.00008 0.00002 0.00003 46 4YY 0.00097 0.00370 -0.00003 -0.00003 -0.00002 47 4ZZ -0.00053 -0.00051 0.00001 0.00003 0.00000 48 4XY -0.00188 -0.00257 -0.00008 0.00004 0.00003 49 4XZ -0.00031 -0.00069 0.00000 0.00003 -0.00012 50 4YZ 0.00021 0.00081 -0.00002 -0.00002 0.00003 51 7 B 1S -0.03122 -0.02713 -0.00131 0.00130 0.00016 52 2S 0.04922 0.03107 0.00162 -0.00160 -0.00020 53 2PX -0.06737 -0.11378 -0.00062 0.00303 0.00038 54 2PY 0.06666 0.11257 0.00303 -0.00056 -0.00038 55 2PZ 0.00844 0.01425 0.00038 -0.00038 0.00239 56 3S -0.01384 -0.04387 -0.00017 0.00017 0.00002 57 3PX -0.02129 -0.01789 -0.00004 0.00135 0.00017 58 3PY 0.02107 0.01770 0.00135 -0.00001 -0.00017 59 3PZ 0.00267 0.00224 0.00017 -0.00017 0.00131 60 4XX 0.00061 0.00013 0.00011 0.00006 0.00001 61 4YY 0.00054 0.00003 -0.00006 -0.00011 0.00001 62 4ZZ -0.00256 -0.00468 -0.00006 0.00006 -0.00001 63 4XY -0.00368 -0.00558 -0.00009 0.00009 0.00000 64 4XZ -0.00047 -0.00071 -0.00001 0.00000 0.00010 65 4YZ 0.00046 0.00070 0.00000 -0.00001 -0.00010 66 8 B 1S -0.00629 -0.02118 -0.00014 0.00013 0.00002 67 2S 0.00850 0.03077 -0.00011 0.00011 0.00001 68 2PX -0.00787 -0.03611 -0.00048 -0.00064 -0.00008 69 2PY 0.00779 0.03573 -0.00064 -0.00049 0.00008 70 2PZ 0.00099 0.00452 -0.00008 0.00008 -0.00112 71 3S 0.02490 0.05389 0.00053 -0.00052 -0.00007 72 3PX 0.00872 0.01816 -0.00029 -0.00061 -0.00008 73 3PY -0.00863 -0.01796 -0.00061 -0.00030 0.00008 74 3PZ -0.00109 -0.00227 -0.00008 0.00008 -0.00089 75 4XX -0.00006 0.00023 0.00000 0.00001 0.00000 76 4YY -0.00004 0.00029 -0.00001 0.00000 0.00000 77 4ZZ 0.00103 0.00300 0.00002 -0.00002 0.00000 78 4XY 0.00127 0.00321 0.00004 -0.00004 -0.00001 79 4XZ 0.00016 0.00041 0.00000 -0.00001 0.00001 80 4YZ -0.00016 -0.00040 -0.00001 0.00000 -0.00001 81 9 B 1S 0.00252 0.00621 0.00037 0.00026 0.00008 82 2S -0.00760 -0.01353 -0.00064 -0.00011 -0.00007 83 2PX 0.00702 0.02957 0.00040 0.00064 0.00011 84 2PY -0.01085 -0.03861 -0.00144 -0.00096 -0.00043 85 2PZ -0.00167 -0.00559 -0.00031 -0.00028 0.00057 86 3S 0.00851 0.00831 -0.00009 -0.00058 -0.00012 87 3PX 0.00279 0.01094 0.00067 0.00067 0.00017 88 3PY 0.00402 -0.00200 -0.00026 -0.00058 -0.00018 89 3PZ 0.00102 0.00041 -0.00002 -0.00011 0.00019 90 4XX 0.00100 0.00382 0.00004 0.00004 0.00001 91 4YY 0.00028 -0.00250 -0.00002 -0.00007 -0.00006 92 4ZZ -0.00056 -0.00073 -0.00004 -0.00002 0.00003 93 4XY -0.00189 -0.00262 -0.00004 0.00008 0.00001 94 4XZ -0.00025 -0.00015 0.00000 0.00003 -0.00004 95 4YZ 0.00005 -0.00064 -0.00001 -0.00004 0.00012 96 10 B 1S 0.00252 0.00621 0.00002 -0.00014 0.00044 97 2S -0.00760 -0.01353 -0.00023 0.00037 -0.00049 98 2PX 0.00921 0.03482 0.00029 -0.00001 0.00137 99 2PY -0.00835 -0.03262 0.00040 0.00052 -0.00099 100 2PZ -0.00389 -0.01092 -0.00010 0.00051 -0.00080 101 3S 0.00851 0.00831 0.00029 -0.00015 -0.00051 102 3PX -0.00102 0.00599 -0.00005 0.00005 0.00080 103 3PY -0.00032 -0.00765 0.00023 0.00020 -0.00079 104 3PZ 0.00489 0.00544 0.00015 -0.00013 0.00013 105 4XX 0.00084 0.00080 -0.00004 -0.00010 -0.00006 106 4YY 0.00093 0.00195 0.00008 0.00004 0.00000 107 4ZZ -0.00103 -0.00216 -0.00002 0.00005 0.00000 108 4XY -0.00167 -0.00235 -0.00005 0.00004 0.00000 109 4XZ 0.00012 0.00244 0.00000 0.00003 0.00006 110 4YZ 0.00003 -0.00199 0.00007 0.00003 -0.00005 111 11 H 1S -0.00327 -0.00437 -0.00003 -0.00006 0.00033 112 2S -0.00437 -0.00507 -0.00007 -0.00018 0.00092 113 3PX 0.00024 0.00066 0.00001 0.00000 0.00003 114 3PY -0.00023 -0.00065 0.00000 0.00002 -0.00003 115 3PZ -0.00004 -0.00009 0.00000 0.00000 0.00000 116 12 H 1S -0.00327 -0.00437 0.00002 0.00007 -0.00033 117 2S -0.00437 -0.00507 0.00006 0.00019 -0.00092 118 3PX 0.00024 0.00066 0.00001 0.00001 -0.00003 119 3PY -0.00024 -0.00066 0.00000 0.00000 0.00003 120 3PZ -0.00002 -0.00007 0.00000 0.00000 0.00001 21 22 23 24 25 21 5 B 1S 1.02091 22 2S 0.00299 0.11012 23 2PX -0.00002 0.00079 0.11946 24 2PY -0.00004 0.00213 0.00016 0.11985 25 2PZ 0.00020 -0.01055 -0.00081 -0.00220 0.13026 26 3S -0.07081 0.03074 0.00286 0.00775 -0.03833 27 3PX -0.00001 -0.00332 0.06243 -0.00076 0.00377 28 3PY -0.00003 -0.00896 -0.00076 0.06065 0.01018 29 3PZ 0.00013 0.04434 0.00377 0.01018 0.01237 30 4XX -0.00817 -0.00074 0.00117 0.00054 -0.00267 31 4YY -0.00823 -0.00056 0.00016 0.00305 -0.00211 32 4ZZ -0.00996 0.00424 -0.00098 -0.00265 0.00012 33 4XY -0.00003 0.00009 0.00150 0.00050 0.00028 34 4XZ 0.00016 -0.00043 -0.00740 0.00028 -0.00081 35 4YZ 0.00042 -0.00117 0.00028 -0.00675 -0.00219 36 6 B 1S 0.00613 -0.00904 -0.01639 -0.01752 0.00753 37 2S -0.00904 0.01633 0.03189 0.03433 -0.01651 38 2PX 0.01006 -0.02087 -0.00412 -0.04968 0.01252 39 2PY 0.01261 -0.02577 -0.05397 -0.01373 0.02085 40 2PZ -0.01929 0.03700 0.04643 0.05513 -0.02130 41 3S 0.00322 0.01431 0.02105 0.02053 0.00595 42 3PX -0.00179 -0.00382 0.01470 -0.00036 -0.00104 43 3PY -0.00096 -0.00609 -0.00492 0.01009 0.00095 44 3PZ -0.00667 0.01761 0.03500 0.03738 -0.00062 45 4XX -0.00059 0.00087 -0.00220 0.00415 -0.00116 46 4YY -0.00101 0.00161 0.00481 -0.00199 -0.00225 47 4ZZ 0.00033 -0.00055 -0.00020 0.00029 0.00337 48 4XY -0.00137 0.00257 -0.00049 0.00042 -0.00245 49 4XZ 0.00181 -0.00312 0.00049 -0.00430 0.00091 50 4YZ 0.00184 -0.00322 -0.00352 -0.00003 0.00103 51 7 B 1S 0.00613 -0.00904 0.01476 -0.01785 0.00979 52 2S -0.00904 0.01633 -0.02845 0.03496 -0.02090 53 2PX -0.00690 0.01476 0.00587 0.04078 -0.00817 54 2PY 0.01279 -0.02615 0.05004 -0.01577 0.02863 55 2PZ -0.02052 0.03958 -0.04136 0.06264 -0.02924 56 3S 0.00322 0.01431 -0.02125 0.02096 0.00288 57 3PX 0.00272 0.00111 0.01924 -0.00525 0.00397 58 3PY -0.00101 -0.00614 0.00458 0.01005 0.00159 59 3PZ -0.00634 0.01797 -0.03131 0.03772 -0.00510 60 4XX -0.00008 -0.00001 0.00215 0.00294 -0.00045 61 4YY -0.00106 0.00169 -0.00444 -0.00188 -0.00301 62 4ZZ -0.00013 0.00024 -0.00004 0.00143 0.00308 63 4XY 0.00107 -0.00204 -0.00148 -0.00052 0.00205 64 4XZ -0.00185 0.00314 0.00119 0.00473 -0.00144 65 4YZ 0.00206 -0.00362 0.00314 -0.00026 0.00187 66 8 B 1S 0.00613 -0.00904 -0.01652 0.01310 0.01371 67 2S -0.00904 0.01633 0.03214 -0.02498 -0.02848 68 2PX 0.01013 -0.02101 -0.00485 0.04086 0.03093 69 2PY -0.00406 0.00924 0.03161 0.01288 -0.00641 70 2PZ -0.02266 0.04406 0.06412 -0.04041 -0.04717 71 3S 0.00322 0.01431 0.02122 -0.02106 -0.00244 72 3PX -0.00181 -0.00384 0.01472 0.00072 -0.00084 73 3PY 0.00346 -0.00125 -0.00912 0.02212 0.00863 74 3PZ -0.00578 0.01859 0.03443 -0.02750 -0.01266 75 4XX -0.00060 0.00090 -0.00217 -0.00338 -0.00270 76 4YY 0.00034 -0.00072 0.00187 0.00182 -0.00004 77 4ZZ -0.00100 0.00175 0.00274 -0.00067 0.00177 78 4XY 0.00056 -0.00115 0.00023 -0.00196 0.00124 79 4XZ 0.00222 -0.00390 0.00057 0.00309 0.00326 80 4YZ -0.00182 0.00311 0.00452 0.00208 -0.00241 81 9 B 1S 0.00613 -0.00904 0.01463 0.01277 0.01597 82 2S -0.00904 0.01633 -0.02820 -0.02435 -0.03287 83 2PX -0.00683 0.01461 0.00651 -0.03442 -0.02316 84 2PY -0.00388 0.00886 -0.03013 0.01432 -0.01032 85 2PZ -0.02389 0.04665 -0.05708 -0.04460 -0.05997 86 3S 0.00322 0.01431 -0.02107 -0.02060 -0.00552 87 3PX 0.00270 0.00109 0.01919 0.00333 0.00567 88 3PY 0.00342 -0.00130 0.00789 0.02192 0.00980 89 3PZ -0.00545 0.01895 -0.03036 -0.02663 -0.01692 90 4XX -0.00007 -0.00003 0.00215 -0.00254 -0.00153 91 4YY 0.00035 -0.00076 -0.00183 0.00179 -0.00027 92 4ZZ -0.00155 0.00271 -0.00263 -0.00143 0.00049 93 4XY -0.00027 0.00067 0.00094 0.00173 -0.00070 94 4XZ -0.00210 0.00366 0.00174 -0.00339 -0.00370 95 4YZ -0.00184 0.00316 -0.00401 0.00251 -0.00310 96 10 B 1S -0.00346 0.00996 0.00075 0.00202 -0.00999 97 2S 0.00996 -0.02109 -0.00122 -0.00329 0.01629 98 2PX -0.00075 0.00122 -0.03223 0.00069 -0.00340 99 2PY -0.00202 0.00329 0.00069 -0.03062 -0.00918 100 2PZ 0.00999 -0.01629 -0.00340 -0.00918 0.01291 101 3S -0.00087 -0.01145 -0.00257 -0.00694 0.03434 102 3PX 0.00095 -0.00089 -0.03228 0.00014 -0.00070 103 3PY 0.00258 -0.00240 0.00014 -0.03195 -0.00190 104 3PZ -0.01274 0.01187 -0.00071 -0.00190 -0.02295 105 4XX 0.00085 -0.00205 -0.00037 -0.00053 0.00261 106 4YY 0.00079 -0.00190 -0.00017 -0.00094 0.00232 107 4ZZ -0.00077 0.00199 0.00040 0.00109 -0.00306 108 4XY -0.00003 0.00007 -0.00026 -0.00007 -0.00014 109 4XZ 0.00014 -0.00035 0.00130 -0.00014 0.00059 110 4YZ 0.00038 -0.00095 -0.00014 0.00097 0.00161 111 11 H 1S -0.00629 0.00850 0.00081 0.00220 -0.01087 112 2S -0.02118 0.03077 0.00373 0.01008 -0.04986 113 3PX 0.00001 0.00001 -0.00112 0.00002 -0.00009 114 3PY 0.00004 0.00003 0.00002 -0.00108 -0.00025 115 3PZ -0.00019 -0.00016 -0.00009 -0.00025 0.00011 116 12 H 1S -0.03122 0.04922 -0.00696 -0.01880 0.09301 117 2S -0.02713 0.03107 -0.01175 -0.03176 0.15708 118 3PX -0.00014 0.00017 0.00240 -0.00009 0.00044 119 3PY -0.00037 0.00045 -0.00009 0.00220 0.00118 120 3PZ 0.00181 -0.00223 0.00044 0.00118 -0.00340 26 27 28 29 30 26 3S 0.03510 27 3PX -0.00076 0.03558 28 3PY -0.00205 -0.00018 0.03517 29 3PZ 0.01013 0.00088 0.00236 0.02397 30 4XX 0.00198 0.00048 0.00005 -0.00027 0.00050 31 4YY 0.00194 0.00000 0.00125 -0.00001 -0.00004 32 4ZZ 0.00066 -0.00054 -0.00145 0.00098 -0.00012 33 4XY -0.00002 0.00071 0.00024 0.00013 0.00001 34 4XZ 0.00012 -0.00352 0.00013 -0.00038 -0.00003 35 4YZ 0.00031 0.00013 -0.00321 -0.00102 0.00002 36 6 B 1S 0.00322 -0.00412 -0.00362 -0.00431 -0.00036 37 2S 0.01431 0.01339 0.01351 0.00016 0.00049 38 2PX -0.00204 0.00053 -0.01393 -0.00701 0.00389 39 2PY -0.00577 -0.01849 -0.00243 -0.00847 -0.00321 40 2PZ 0.02935 0.02902 0.02795 0.02609 0.00175 41 3S 0.00756 0.00616 0.00551 0.00560 0.00011 42 3PX 0.00209 0.00573 0.00017 -0.00271 0.00243 43 3PY 0.00088 -0.00279 0.00356 -0.00365 -0.00179 44 3PZ 0.00971 0.02061 0.01992 0.01314 0.00046 45 4XX 0.00069 -0.00088 0.00157 0.00015 -0.00016 46 4YY 0.00109 0.00206 -0.00104 0.00023 0.00025 47 4ZZ -0.00116 -0.00047 0.00011 0.00032 -0.00009 48 4XY 0.00111 -0.00009 0.00023 0.00056 -0.00002 49 4XZ -0.00181 0.00067 -0.00212 -0.00203 -0.00013 50 4YZ -0.00167 -0.00207 0.00074 -0.00177 -0.00007 51 7 B 1S 0.00322 0.00462 -0.00371 -0.00367 0.00015 52 2S 0.01431 -0.01299 0.01379 -0.00176 -0.00040 53 2PX -0.00235 0.00482 0.00958 0.00371 -0.00403 54 2PY -0.00578 0.01942 -0.00308 -0.00582 -0.00200 55 2PZ 0.02934 -0.03156 0.03031 0.02243 0.00083 56 3S 0.00756 -0.00678 0.00565 0.00466 -0.00042 57 3PX -0.00346 0.00846 -0.00316 0.00195 -0.00200 58 3PY 0.00094 0.00321 0.00353 -0.00326 -0.00173 59 3PZ 0.00932 -0.02088 0.02012 0.01044 -0.00022 60 4XX 0.00017 0.00076 0.00098 -0.00025 -0.00014 61 4YY 0.00112 -0.00209 -0.00099 -0.00006 0.00015 62 4ZZ -0.00068 0.00054 0.00065 0.00090 -0.00007 63 4XY -0.00084 -0.00042 -0.00038 -0.00035 0.00002 64 4XZ 0.00200 0.00052 0.00227 0.00197 0.00012 65 4YZ -0.00185 0.00228 0.00060 -0.00156 -0.00005 66 8 B 1S 0.00322 -0.00416 0.00498 -0.00257 -0.00037 67 2S 0.01431 0.01350 -0.01241 -0.00507 0.00051 68 2PX -0.00204 0.00031 0.01555 -0.00110 0.00388 69 2PY -0.00608 0.00571 0.00900 0.00121 0.00230 70 2PZ 0.02930 0.03418 -0.03492 0.01488 0.00286 71 3S 0.00756 0.00621 -0.00721 0.00303 0.00011 72 3PX 0.00212 0.00575 0.00089 -0.00258 0.00242 73 3PY -0.00457 -0.00548 0.01078 0.00265 0.00148 74 3PZ 0.00862 0.02025 -0.02074 0.00591 0.00113 75 4XX 0.00070 -0.00087 -0.00151 -0.00047 -0.00016 76 4YY -0.00029 0.00039 0.00071 -0.00063 0.00016 77 4ZZ 0.00020 0.00120 -0.00005 0.00150 0.00001 78 4XY -0.00032 -0.00019 -0.00068 0.00001 0.00006 79 4XZ -0.00211 0.00060 0.00269 -0.00114 -0.00011 80 4YZ 0.00208 0.00249 0.00049 0.00149 0.00019 81 9 B 1S 0.00322 0.00459 0.00488 -0.00194 0.00015 82 2S 0.01431 -0.01288 -0.01213 -0.00699 -0.00041 83 2PX -0.00235 0.00501 -0.01025 -0.00031 -0.00402 84 2PY -0.00608 -0.00569 0.00939 0.00037 0.00150 85 2PZ 0.02928 -0.03634 -0.03605 0.00978 0.00154 86 3S 0.00756 -0.00673 -0.00706 0.00209 -0.00042 87 3PX -0.00344 0.00843 0.00217 0.00301 -0.00200 88 3PY -0.00451 0.00512 0.01066 0.00336 0.00167 89 3PZ 0.00822 -0.02032 -0.02021 0.00335 0.00047 90 4XX 0.00016 0.00076 -0.00080 -0.00061 -0.00014 91 4YY -0.00030 -0.00028 0.00069 -0.00067 0.00008 92 4ZZ 0.00074 -0.00127 -0.00072 0.00158 -0.00001 93 4XY 0.00000 0.00019 0.00064 -0.00020 -0.00007 94 4XZ 0.00215 0.00068 -0.00282 0.00092 0.00010 95 4YZ 0.00206 -0.00268 0.00070 0.00107 0.00012 96 10 B 1S -0.00087 -0.00095 -0.00258 0.01274 0.00085 97 2S -0.01145 0.00089 0.00240 -0.01187 -0.00205 98 2PX 0.00257 -0.03228 0.00014 -0.00071 0.00037 99 2PY 0.00695 0.00014 -0.03195 -0.00190 0.00053 100 2PZ -0.03434 -0.00070 -0.00190 -0.02295 -0.00261 101 3S -0.01306 0.00065 0.00177 -0.00875 -0.00141 102 3PX -0.00065 -0.02369 0.00037 -0.00184 -0.00011 103 3PY -0.00177 0.00037 -0.02282 -0.00496 -0.00019 104 3PZ 0.00875 -0.00184 -0.00496 0.00072 0.00096 105 4XX -0.00141 0.00011 0.00019 -0.00096 0.00020 106 4YY -0.00131 0.00007 0.00028 -0.00090 -0.00030 107 4ZZ 0.00142 -0.00005 -0.00014 0.00019 -0.00004 108 4XY 0.00005 0.00006 0.00002 0.00003 -0.00001 109 4XZ -0.00025 -0.00027 0.00003 -0.00012 0.00006 110 4YZ -0.00067 0.00003 -0.00021 -0.00033 -0.00006 111 11 H 1S 0.02490 -0.00090 -0.00243 0.01204 0.00104 112 2S 0.05389 -0.00188 -0.00507 0.02506 0.00301 113 3PX -0.00005 -0.00090 0.00002 -0.00009 0.00000 114 3PY -0.00015 0.00002 -0.00086 -0.00024 -0.00001 115 3PZ 0.00073 -0.00009 -0.00024 0.00027 0.00003 116 12 H 1S -0.01384 -0.00220 -0.00594 0.02940 -0.00258 117 2S -0.04387 -0.00185 -0.00499 0.02470 -0.00470 118 3PX -0.00002 0.00131 -0.00004 0.00020 0.00001 119 3PY -0.00005 -0.00004 0.00122 0.00053 -0.00002 120 3PZ 0.00023 0.00019 0.00053 -0.00128 0.00008 31 32 33 34 35 31 4YY 0.00052 32 4ZZ -0.00014 0.00054 33 4XY 0.00001 -0.00002 0.00013 34 4XZ 0.00001 0.00002 -0.00010 0.00059 35 4YZ -0.00007 0.00006 -0.00003 -0.00001 0.00059 36 6 B 1S -0.00081 -0.00009 -0.00113 0.00192 0.00201 37 2S 0.00127 0.00017 0.00215 -0.00330 -0.00351 38 2PX -0.00385 -0.00077 0.00057 0.00028 0.00386 39 2PY 0.00341 -0.00135 -0.00003 0.00439 0.00116 40 2PZ 0.00291 -0.00150 0.00061 -0.00109 -0.00106 41 3S 0.00057 -0.00007 0.00047 -0.00209 -0.00211 42 3PX -0.00165 -0.00050 0.00094 -0.00147 -0.00042 43 3PY 0.00258 -0.00065 0.00069 0.00003 -0.00095 44 3PZ 0.00132 -0.00065 0.00059 -0.00143 -0.00143 45 4XX 0.00031 -0.00003 -0.00003 0.00022 -0.00034 46 4YY -0.00018 0.00009 0.00005 -0.00040 0.00018 47 4ZZ -0.00007 -0.00001 0.00002 -0.00008 -0.00012 48 4XY -0.00002 0.00020 0.00009 0.00005 -0.00001 49 4XZ -0.00015 0.00007 0.00001 -0.00001 0.00012 50 4YZ -0.00014 0.00003 -0.00002 0.00010 0.00000 51 7 B 1S -0.00085 -0.00056 0.00080 -0.00184 0.00219 52 2S 0.00134 0.00099 -0.00158 0.00314 -0.00385 53 2PX 0.00343 0.00084 0.00136 -0.00089 -0.00349 54 2PY 0.00334 -0.00249 -0.00003 -0.00448 0.00133 55 2PZ 0.00345 -0.00105 -0.00022 0.00145 -0.00168 56 3S 0.00059 0.00045 -0.00014 0.00199 -0.00220 57 3PX 0.00146 0.00010 0.00099 -0.00209 0.00079 58 3PY 0.00257 -0.00069 -0.00046 -0.00020 -0.00104 59 3PZ 0.00156 -0.00026 -0.00020 0.00124 -0.00143 60 4XX 0.00026 -0.00007 0.00008 -0.00023 -0.00029 61 4YY -0.00018 0.00020 -0.00009 0.00041 0.00016 62 4ZZ -0.00002 -0.00001 0.00001 0.00006 -0.00015 63 4XY 0.00002 -0.00017 0.00008 0.00012 0.00004 64 4XZ 0.00020 -0.00008 0.00004 -0.00003 -0.00014 65 4YZ -0.00014 -0.00002 0.00002 -0.00010 0.00002 66 8 B 1S 0.00055 -0.00144 0.00029 0.00222 -0.00169 67 2S -0.00108 0.00250 -0.00069 -0.00390 0.00287 68 2PX -0.00098 -0.00364 -0.00060 0.00011 -0.00396 69 2PY -0.00375 0.00128 0.00166 -0.00324 -0.00211 70 2PZ 0.00015 0.00034 0.00054 -0.00273 0.00188 71 3S -0.00083 0.00133 0.00038 -0.00213 0.00173 72 3PX -0.00173 -0.00041 -0.00026 -0.00172 -0.00017 73 3PY -0.00145 -0.00060 0.00062 0.00083 -0.00253 74 3PZ -0.00045 0.00033 0.00028 -0.00134 0.00089 75 4XX 0.00005 0.00024 -0.00006 0.00021 0.00037 76 4YY -0.00011 -0.00005 0.00008 -0.00028 -0.00024 77 4ZZ -0.00005 0.00003 0.00004 -0.00019 0.00006 78 4XY 0.00001 -0.00014 0.00009 0.00000 0.00015 79 4XZ -0.00004 -0.00010 0.00003 -0.00002 -0.00013 80 4YZ 0.00012 -0.00005 0.00006 -0.00019 -0.00008 81 9 B 1S 0.00055 -0.00197 -0.00003 -0.00199 -0.00167 82 2S -0.00110 0.00343 0.00024 0.00347 0.00286 83 2PX 0.00089 0.00337 -0.00094 -0.00142 0.00351 84 2PY -0.00371 0.00202 -0.00144 0.00325 -0.00249 85 2PZ 0.00031 0.00157 -0.00100 0.00289 0.00225 86 3S -0.00081 0.00184 -0.00064 0.00187 0.00161 87 3PX 0.00175 -0.00018 -0.00013 -0.00231 0.00001 88 3PY -0.00147 -0.00076 -0.00032 -0.00046 -0.00259 89 3PZ -0.00018 0.00066 -0.00046 0.00111 0.00082 90 4XX 0.00003 0.00016 0.00001 -0.00025 0.00034 91 4YY -0.00011 0.00002 -0.00006 0.00030 -0.00025 92 4ZZ -0.00003 0.00011 -0.00005 0.00016 0.00009 93 4XY -0.00004 0.00013 0.00012 -0.00006 -0.00013 94 4XZ 0.00006 0.00011 0.00002 -0.00008 0.00018 95 4YZ 0.00012 0.00002 -0.00003 0.00022 -0.00011 96 10 B 1S 0.00079 -0.00077 -0.00003 0.00014 0.00038 97 2S -0.00190 0.00199 0.00007 -0.00035 -0.00095 98 2PX 0.00017 -0.00040 0.00026 -0.00130 0.00014 99 2PY 0.00094 -0.00109 0.00007 0.00014 -0.00097 100 2PZ -0.00232 0.00306 0.00014 -0.00059 -0.00161 101 3S -0.00131 0.00142 0.00005 -0.00025 -0.00067 102 3PX -0.00007 0.00005 -0.00006 0.00027 -0.00003 103 3PY -0.00028 0.00014 -0.00002 -0.00003 0.00021 104 3PZ 0.00090 -0.00019 -0.00003 0.00012 0.00033 105 4XX -0.00030 -0.00004 -0.00001 0.00006 -0.00006 106 4YY 0.00015 0.00002 -0.00001 -0.00003 0.00016 107 4ZZ 0.00002 0.00015 0.00002 -0.00006 -0.00016 108 4XY -0.00001 0.00002 0.00009 0.00009 0.00003 109 4XZ -0.00003 -0.00006 0.00009 -0.00033 0.00002 110 4YZ 0.00016 -0.00016 0.00003 0.00002 -0.00028 111 11 H 1S 0.00096 -0.00107 -0.00004 0.00018 0.00049 112 2S 0.00282 -0.00231 -0.00009 0.00046 0.00125 113 3PX 0.00000 0.00000 0.00000 0.00001 0.00000 114 3PY -0.00001 0.00001 0.00000 0.00000 0.00000 115 3PZ 0.00003 -0.00005 0.00000 0.00001 0.00002 116 12 H 1S -0.00236 0.00353 0.00011 -0.00053 -0.00143 117 2S -0.00437 0.00456 0.00016 -0.00080 -0.00217 118 3PX -0.00001 -0.00001 0.00003 -0.00014 0.00000 119 3PY 0.00003 -0.00002 0.00001 0.00000 -0.00014 120 3PZ 0.00008 -0.00014 0.00000 0.00001 0.00002 36 37 38 39 40 36 6 B 1S 1.02091 37 2S 0.00299 0.11012 38 2PX 0.00015 -0.00758 0.12501 39 2PY 0.00014 -0.00740 0.00547 0.12475 40 2PZ 0.00004 -0.00206 0.00153 0.00149 0.11982 41 3S -0.07081 0.03074 -0.02755 -0.02689 -0.00749 42 3PX 0.00010 0.03186 0.03673 -0.02537 -0.00708 43 3PY 0.00009 0.03110 -0.02537 0.03794 -0.00691 44 3PZ 0.00003 0.00867 -0.00707 -0.00691 0.06078 45 4XX -0.00909 0.00181 -0.00543 0.00381 0.00106 46 4YY -0.00904 0.00169 0.00363 -0.00557 0.00099 47 4ZZ -0.00823 -0.00058 -0.00155 -0.00151 -0.00296 48 4XY -0.00105 0.00291 0.00138 0.00109 0.00181 49 4XZ -0.00029 0.00081 0.00038 0.00181 -0.00489 50 4YZ -0.00028 0.00079 0.00181 0.00030 -0.00477 51 7 B 1S 0.00613 -0.00904 0.02408 -0.00723 0.00034 52 2S -0.00904 0.01633 -0.04803 0.01265 -0.00103 53 2PX -0.02402 0.04793 -0.09231 0.02522 -0.00506 54 2PY -0.00672 0.01164 -0.02210 0.01171 -0.00807 55 2PZ -0.00316 0.00594 -0.01462 -0.00453 0.04145 56 3S 0.00322 0.01431 -0.02108 0.02116 0.00270 57 3PX -0.00209 0.01561 -0.01701 0.01123 -0.00014 58 3PY -0.00649 0.01038 -0.03905 0.02616 -0.00070 59 3PZ -0.00147 0.00326 -0.01030 0.00306 0.01504 60 4XX -0.00333 0.00579 -0.00486 0.00023 -0.00120 61 4YY 0.00163 -0.00282 0.00306 0.00048 0.00020 62 4ZZ 0.00043 -0.00104 -0.00107 0.00117 0.00117 63 4XY 0.00030 -0.00052 0.00148 0.00319 -0.00065 64 4XZ -0.00026 0.00048 -0.00053 -0.00083 0.00658 65 4YZ 0.00031 -0.00046 0.00107 -0.00003 0.00032 66 8 B 1S 0.00613 -0.00904 -0.00719 0.02372 0.00426 67 2S -0.00904 0.01633 0.01256 -0.04729 -0.00862 68 2PX -0.00700 0.01217 0.01061 -0.02277 -0.00706 69 2PY -0.02357 0.04703 0.02455 -0.08770 -0.02468 70 2PZ -0.00529 0.01042 0.00251 -0.02822 0.03794 71 3S 0.00322 0.01431 0.02139 -0.02086 -0.00262 72 3PX -0.00662 0.01066 0.02636 -0.03933 -0.00711 73 3PY -0.00201 0.01527 0.01096 -0.01573 -0.00543 74 3PZ -0.00090 0.00388 0.00305 -0.00919 0.01356 75 4XX 0.00168 -0.00289 0.00049 0.00317 0.00062 76 4YY -0.00321 0.00556 0.00021 -0.00427 -0.00320 77 4ZZ 0.00026 -0.00075 0.00120 -0.00173 0.00214 78 4XY 0.00026 -0.00045 0.00302 0.00139 -0.00008 79 4XZ 0.00016 -0.00026 0.00051 0.00057 0.00047 80 4YZ -0.00082 0.00150 -0.00054 -0.00198 0.00599 81 9 B 1S -0.00346 0.00996 -0.00718 -0.00701 -0.00195 82 2S 0.00996 -0.02109 0.01170 0.01142 0.00318 83 2PX 0.00718 -0.01170 -0.00905 0.02288 0.00638 84 2PY 0.00701 -0.01142 0.02288 -0.01014 0.00623 85 2PZ 0.00195 -0.00318 0.00638 0.00623 -0.03074 86 3S -0.00087 -0.01145 0.02467 0.02409 0.00673 87 3PX -0.00915 0.00853 -0.02749 0.00473 0.00132 88 3PY -0.00894 0.00833 0.00472 -0.02772 0.00129 89 3PZ -0.00249 0.00232 0.00132 0.00129 -0.03197 90 4XX 0.00002 0.00003 0.00060 -0.00105 -0.00029 91 4YY 0.00006 -0.00007 -0.00094 0.00072 -0.00026 92 4ZZ 0.00079 -0.00191 0.00168 0.00164 0.00092 93 4XY -0.00095 0.00236 -0.00242 -0.00232 -0.00092 94 4XZ -0.00026 0.00066 -0.00067 -0.00092 0.00071 95 4YZ -0.00026 0.00064 -0.00092 -0.00063 0.00070 96 10 B 1S 0.00613 -0.00904 0.00683 0.00388 0.02389 97 2S -0.00904 0.01633 -0.01461 -0.00886 -0.04665 98 2PX -0.01463 0.02820 0.00651 -0.03013 -0.05708 99 2PY -0.01277 0.02435 -0.03442 0.01432 -0.04460 100 2PZ -0.01597 0.03287 -0.02316 -0.01032 -0.05997 101 3S 0.00322 0.01431 0.00235 0.00608 -0.02928 102 3PX -0.00459 0.01288 0.00501 -0.00569 -0.03634 103 3PY -0.00488 0.01213 -0.01025 0.00939 -0.03605 104 3PZ 0.00194 0.00699 -0.00031 0.00037 0.00978 105 4XX 0.00015 -0.00041 0.00402 -0.00150 -0.00154 106 4YY 0.00055 -0.00110 -0.00089 0.00371 -0.00031 107 4ZZ -0.00197 0.00343 -0.00337 -0.00202 -0.00157 108 4XY -0.00003 0.00024 0.00094 0.00144 0.00100 109 4XZ -0.00199 0.00347 0.00142 -0.00325 -0.00289 110 4YZ -0.00167 0.00286 -0.00351 0.00249 -0.00225 111 11 H 1S 0.00252 -0.00760 0.00105 -0.00058 0.01297 112 2S 0.00621 -0.01353 0.00121 -0.00494 0.04869 113 3PX -0.00032 0.00041 0.00004 -0.00045 -0.00138 114 3PY -0.00032 0.00044 -0.00064 0.00017 -0.00128 115 3PZ -0.00002 -0.00026 0.00012 0.00023 -0.00019 116 12 H 1S 0.00252 -0.00760 0.00291 0.00445 -0.01189 117 2S 0.00621 -0.01353 0.00830 0.01423 -0.04610 118 3PX -0.00031 0.00035 -0.00011 -0.00091 0.00108 119 3PY -0.00030 0.00029 -0.00072 -0.00022 0.00113 120 3PZ -0.00015 0.00047 -0.00042 -0.00038 0.00034 41 42 43 44 45 41 3S 0.03510 42 3PX 0.00727 0.02963 43 3PY 0.00710 -0.00588 0.02990 44 3PZ 0.00199 -0.00164 -0.00161 0.03520 45 4XX 0.00130 -0.00189 0.00248 0.00069 0.00061 46 4YY 0.00133 0.00241 -0.00197 0.00066 -0.00030 47 4ZZ 0.00194 -0.00002 -0.00002 -0.00121 0.00000 48 4XY -0.00078 0.00062 0.00049 0.00085 0.00006 49 4XZ -0.00022 0.00017 0.00085 -0.00232 0.00000 50 4YZ -0.00021 0.00085 0.00013 -0.00227 -0.00009 51 7 B 1S 0.00322 0.00215 -0.00653 -0.00116 -0.00333 52 2S 0.01431 -0.01569 0.01071 0.00099 0.00578 53 2PX 0.02091 -0.01725 0.03964 0.00559 0.00484 54 2PY 0.02072 -0.01065 0.02556 0.00130 -0.00018 55 2PZ 0.00575 -0.00458 0.00506 0.01587 0.00121 56 3S 0.00756 -0.00373 0.00912 0.00156 0.00287 57 3PX 0.00366 -0.00477 0.01632 0.00250 -0.00030 58 3PY 0.00905 -0.01623 0.02075 0.00179 0.00295 59 3PZ 0.00210 -0.00408 0.00422 0.00646 0.00102 60 4XX 0.00288 0.00027 0.00310 0.00020 0.00031 61 4YY -0.00211 -0.00007 -0.00187 -0.00075 -0.00002 62 4ZZ -0.00015 -0.00060 -0.00013 0.00074 0.00007 63 4XY -0.00070 0.00046 0.00077 -0.00059 -0.00002 64 4XZ 0.00011 -0.00009 -0.00028 0.00336 0.00007 65 4YZ -0.00053 0.00008 -0.00061 0.00083 -0.00006 66 8 B 1S 0.00322 -0.00663 0.00215 -0.00006 0.00169 67 2S 0.01431 0.01079 -0.01550 -0.00232 -0.00290 68 2PX 0.02122 0.02612 -0.01093 -0.00139 0.00056 69 2PY 0.02041 0.03936 -0.01633 -0.00343 -0.00318 70 2PZ 0.00571 0.00877 -0.00719 0.01439 -0.00066 71 3S 0.00756 0.00926 -0.00373 -0.00006 -0.00220 72 3PX 0.00923 0.02127 -0.01639 -0.00216 -0.00202 73 3PY 0.00353 0.01616 -0.00441 -0.00088 0.00012 74 3PZ 0.00141 0.00442 -0.00331 0.00557 -0.00027 75 4XX -0.00219 -0.00203 -0.00003 -0.00030 0.00000 76 4YY 0.00279 0.00305 0.00041 -0.00088 -0.00005 77 4ZZ 0.00002 0.00010 -0.00078 0.00118 -0.00019 78 4XY -0.00066 0.00070 0.00049 -0.00032 -0.00015 79 4XZ -0.00032 -0.00012 -0.00007 0.00100 -0.00002 80 4YZ 0.00062 0.00049 -0.00042 0.00319 0.00006 81 9 B 1S -0.00087 0.00915 0.00894 0.00249 0.00002 82 2S -0.01145 -0.00853 -0.00833 -0.00232 0.00003 83 2PX -0.02467 -0.02749 0.00472 0.00132 -0.00060 84 2PY -0.02409 0.00473 -0.02772 0.00129 0.00105 85 2PZ -0.00672 0.00132 0.00129 -0.03197 0.00029 86 3S -0.01306 -0.00629 -0.00614 -0.00171 0.00005 87 3PX 0.00629 -0.01116 0.01237 0.00345 0.00044 88 3PY 0.00614 0.01237 -0.01175 0.00337 0.00008 89 3PZ 0.00171 0.00345 0.00337 -0.02289 0.00002 90 4XX 0.00005 -0.00044 -0.00008 -0.00002 -0.00022 91 4YY -0.00002 -0.00011 -0.00045 -0.00003 0.00028 92 4ZZ -0.00132 -0.00065 -0.00063 -0.00027 -0.00005 93 4XY 0.00166 0.00049 0.00047 0.00019 0.00005 94 4XZ 0.00046 0.00014 0.00019 -0.00015 0.00000 95 4YZ 0.00045 0.00019 0.00013 -0.00015 0.00013 96 10 B 1S 0.00322 -0.00270 -0.00342 0.00545 -0.00007 97 2S 0.01431 -0.00109 0.00130 -0.01895 -0.00003 98 2PX 0.02107 0.01919 0.00789 -0.03036 -0.00215 99 2PY 0.02060 0.00333 0.02192 -0.02663 0.00254 100 2PZ 0.00552 0.00567 0.00980 -0.01692 0.00154 101 3S 0.00756 0.00344 0.00451 -0.00822 0.00016 102 3PX 0.00673 0.00843 0.00512 -0.02032 -0.00076 103 3PY 0.00706 0.00217 0.01066 -0.02021 0.00080 104 3PZ -0.00209 0.00301 0.00336 0.00335 0.00061 105 4XX -0.00042 0.00200 -0.00167 -0.00047 -0.00014 106 4YY -0.00081 -0.00175 0.00147 0.00018 0.00003 107 4ZZ 0.00184 0.00018 0.00076 -0.00066 0.00016 108 4XY -0.00064 0.00013 0.00032 0.00046 0.00001 109 4XZ 0.00187 0.00231 0.00046 -0.00111 -0.00025 110 4YZ 0.00161 -0.00001 0.00259 -0.00082 0.00034 111 11 H 1S 0.00851 -0.00339 -0.00319 -0.00185 -0.00073 112 2S 0.00831 -0.00516 -0.00619 0.00769 -0.00079 113 3PX 0.00032 0.00029 0.00017 -0.00073 -0.00003 114 3PY 0.00027 0.00009 0.00038 -0.00066 0.00004 115 3PZ 0.00044 -0.00007 0.00001 -0.00040 -0.00003 116 12 H 1S 0.00851 -0.00352 -0.00355 -0.00003 -0.00080 117 2S 0.00831 -0.00382 -0.00258 -0.01013 -0.00145 118 3PX 0.00037 0.00016 -0.00015 0.00080 -0.00004 119 3PY 0.00041 -0.00007 0.00004 0.00082 0.00005 120 3PZ -0.00025 0.00013 0.00015 0.00008 0.00004 46 47 48 49 50 46 4YY 0.00062 47 4ZZ -0.00001 0.00035 48 4XY 0.00006 -0.00016 0.00036 49 4XZ -0.00006 0.00005 -0.00002 0.00048 50 4YZ -0.00002 0.00010 0.00002 0.00011 0.00046 51 7 B 1S 0.00164 0.00042 -0.00022 -0.00037 0.00028 52 2S -0.00284 -0.00102 0.00037 0.00066 -0.00040 53 2PX -0.00309 0.00111 0.00126 0.00108 -0.00094 54 2PY 0.00066 0.00133 -0.00317 0.00061 -0.00049 55 2PZ -0.00028 -0.00035 0.00080 -0.00660 0.00042 56 3S -0.00214 -0.00012 0.00064 0.00038 -0.00043 57 3PX 0.00012 0.00057 0.00039 0.00026 -0.00016 58 3PY -0.00184 -0.00001 -0.00080 0.00079 -0.00073 59 3PZ -0.00075 -0.00002 0.00049 -0.00328 0.00096 60 4XX -0.00004 0.00009 0.00000 0.00008 0.00000 61 4YY -0.00001 -0.00020 0.00016 -0.00004 0.00004 62 4ZZ -0.00018 0.00010 -0.00002 0.00002 -0.00009 63 4XY -0.00016 0.00005 -0.00005 0.00006 0.00000 64 4XZ 0.00006 -0.00013 0.00010 -0.00043 -0.00021 65 4YZ 0.00002 -0.00003 -0.00001 0.00024 0.00005 66 8 B 1S -0.00320 0.00025 -0.00026 0.00006 -0.00086 67 2S 0.00555 -0.00073 0.00044 -0.00008 0.00156 68 2PX -0.00006 0.00137 -0.00299 -0.00071 -0.00005 69 2PY 0.00422 0.00175 0.00133 -0.00020 0.00218 70 2PZ 0.00320 -0.00184 0.00045 0.00048 -0.00602 71 3S 0.00276 0.00005 0.00068 -0.00005 0.00071 72 3PX 0.00290 0.00023 -0.00065 -0.00040 0.00087 73 3PY -0.00049 0.00074 0.00043 -0.00018 0.00048 74 3PZ 0.00131 -0.00088 0.00007 0.00109 -0.00313 75 4XX -0.00003 -0.00021 0.00015 0.00004 0.00002 76 4YY 0.00025 0.00015 -0.00001 0.00007 0.00019 77 4ZZ 0.00013 0.00008 0.00000 -0.00011 -0.00012 78 4XY -0.00001 0.00003 -0.00003 -0.00001 -0.00003 79 4XZ -0.00009 0.00006 -0.00002 0.00003 0.00023 80 4YZ 0.00019 -0.00018 0.00008 -0.00021 -0.00037 81 9 B 1S 0.00006 0.00079 -0.00095 -0.00026 -0.00026 82 2S -0.00007 -0.00191 0.00236 0.00066 0.00064 83 2PX 0.00094 -0.00168 0.00242 0.00067 0.00092 84 2PY -0.00072 -0.00164 0.00232 0.00092 0.00063 85 2PZ 0.00026 -0.00092 0.00092 -0.00071 -0.00070 86 3S -0.00002 -0.00132 0.00166 0.00046 0.00045 87 3PX 0.00011 0.00065 -0.00049 -0.00014 -0.00019 88 3PY 0.00045 0.00063 -0.00047 -0.00019 -0.00013 89 3PZ 0.00003 0.00027 -0.00019 0.00015 0.00015 90 4XX 0.00028 -0.00005 0.00005 0.00000 0.00013 91 4YY -0.00021 -0.00007 0.00002 0.00016 -0.00003 92 4ZZ -0.00007 -0.00001 0.00009 -0.00011 -0.00006 93 4XY 0.00002 0.00009 0.00009 0.00004 0.00007 94 4XZ 0.00016 -0.00011 0.00004 0.00001 -0.00030 95 4YZ -0.00003 -0.00006 0.00007 -0.00030 0.00001 96 10 B 1S 0.00035 -0.00155 -0.00027 -0.00210 -0.00184 97 2S -0.00076 0.00271 0.00067 0.00366 0.00316 98 2PX 0.00183 0.00263 -0.00094 -0.00174 0.00401 99 2PY -0.00179 0.00143 -0.00173 0.00339 -0.00251 100 2PZ 0.00028 -0.00049 0.00070 0.00370 0.00310 101 3S -0.00030 0.00074 0.00000 0.00215 0.00206 102 3PX 0.00028 0.00127 -0.00019 -0.00068 0.00268 103 3PY -0.00069 0.00072 -0.00064 0.00282 -0.00070 104 3PZ 0.00067 -0.00158 0.00020 -0.00092 -0.00107 105 4XX 0.00008 -0.00001 -0.00007 0.00010 0.00012 106 4YY -0.00011 -0.00003 -0.00004 0.00006 0.00012 107 4ZZ 0.00002 0.00011 0.00013 0.00011 0.00002 108 4XY -0.00006 -0.00005 0.00012 0.00002 -0.00003 109 4XZ 0.00030 0.00016 -0.00006 -0.00008 0.00022 110 4YZ -0.00025 0.00009 -0.00013 0.00018 -0.00011 111 11 H 1S -0.00056 0.00202 -0.00013 -0.00058 -0.00097 112 2S -0.00010 0.00148 0.00017 -0.00296 -0.00329 113 3PX 0.00002 0.00005 -0.00002 -0.00003 0.00010 114 3PY -0.00001 0.00000 -0.00003 0.00009 -0.00003 115 3PZ -0.00004 0.00011 -0.00003 0.00002 -0.00001 116 12 H 1S -0.00075 0.00228 -0.00029 -0.00003 -0.00044 117 2S -0.00185 0.00389 -0.00124 0.00205 0.00141 118 3PX 0.00008 0.00000 -0.00001 0.00001 -0.00009 119 3PY -0.00004 0.00003 0.00000 -0.00010 0.00000 120 3PZ 0.00002 -0.00008 0.00001 0.00001 0.00004 51 52 53 54 55 51 7 B 1S 1.02091 52 2S 0.00299 0.11012 53 2PX -0.00015 0.00764 0.12510 54 2PY 0.00015 -0.00756 -0.00564 0.12498 55 2PZ 0.00002 -0.00096 -0.00071 0.00071 0.11949 56 3S -0.07081 0.03074 0.02776 -0.02747 -0.00348 57 3PX -0.00010 -0.03212 0.03630 0.02613 0.00330 58 3PY 0.00010 0.03178 0.02613 0.03686 -0.00327 59 3PZ 0.00001 0.00402 0.00331 -0.00327 0.06230 60 4XX -0.00910 0.00186 0.00538 0.00399 0.00051 61 4YY -0.00908 0.00180 -0.00391 -0.00545 0.00049 62 4ZZ -0.00817 -0.00073 0.00191 -0.00189 -0.00142 63 4XY 0.00108 -0.00300 0.00152 -0.00139 -0.00086 64 4XZ 0.00014 -0.00038 0.00019 -0.00086 0.00532 65 4YZ -0.00013 0.00038 -0.00086 0.00017 -0.00527 66 8 B 1S -0.00346 0.00996 0.00724 -0.00716 -0.00091 67 2S 0.00996 -0.02109 -0.01180 0.01167 0.00148 68 2PX -0.00724 0.01180 -0.00866 -0.02356 -0.00298 69 2PY 0.00716 -0.01167 -0.02356 -0.00917 0.00295 70 2PZ 0.00091 -0.00148 -0.00298 0.00295 -0.03211 71 3S -0.00087 -0.01145 -0.02488 0.02461 0.00311 72 3PX 0.00923 -0.00860 -0.02741 -0.00487 -0.00061 73 3PY -0.00913 0.00851 -0.00487 -0.02752 0.00061 74 3PZ -0.00116 0.00108 -0.00062 0.00061 -0.03226 75 4XX 0.00000 0.00006 -0.00055 -0.00113 -0.00014 76 4YY 0.00002 0.00001 0.00107 0.00061 -0.00013 77 4ZZ 0.00084 -0.00204 -0.00187 0.00185 0.00045 78 4XY 0.00098 -0.00243 -0.00253 0.00248 0.00044 79 4XZ 0.00012 -0.00031 -0.00032 0.00044 -0.00092 80 4YZ -0.00012 0.00030 0.00044 -0.00031 0.00091 81 9 B 1S 0.00613 -0.00904 0.00700 0.02357 0.00529 82 2S -0.00904 0.01633 -0.01217 -0.04703 -0.01042 83 2PX 0.00719 -0.01256 0.01061 0.02455 0.00251 84 2PY -0.02372 0.04729 -0.02277 -0.08770 -0.02822 85 2PZ -0.00426 0.00862 -0.00706 -0.02468 0.03794 86 3S 0.00322 0.01431 -0.02122 -0.02041 -0.00571 87 3PX 0.00663 -0.01079 0.02612 0.03936 0.00878 88 3PY -0.00215 0.01549 -0.01092 -0.01633 -0.00719 89 3PZ 0.00006 0.00233 -0.00139 -0.00343 0.01439 90 4XX 0.00169 -0.00290 -0.00056 0.00318 0.00066 91 4YY -0.00320 0.00555 0.00006 -0.00422 -0.00320 92 4ZZ 0.00025 -0.00073 -0.00137 -0.00175 0.00184 93 4XY -0.00026 0.00044 0.00299 -0.00133 -0.00045 94 4XZ 0.00006 -0.00008 0.00071 0.00020 -0.00048 95 4YZ -0.00086 0.00156 0.00005 -0.00218 0.00602 96 10 B 1S 0.00613 -0.00904 -0.01013 0.00406 0.02265 97 2S -0.00904 0.01633 0.02101 -0.00924 -0.04406 98 2PX 0.01652 -0.03214 -0.00485 0.03160 0.06412 99 2PY -0.01310 0.02498 0.04086 0.01288 -0.04041 100 2PZ -0.01371 0.02848 0.03093 -0.00641 -0.04717 101 3S 0.00322 0.01431 0.00204 0.00608 -0.02930 102 3PX 0.00416 -0.01350 0.00031 0.00571 0.03418 103 3PY -0.00497 0.01241 0.01555 0.00900 -0.03492 104 3PZ 0.00257 0.00507 -0.00109 0.00121 0.01488 105 4XX -0.00037 0.00051 -0.00388 -0.00230 -0.00286 106 4YY 0.00055 -0.00108 0.00098 0.00375 -0.00015 107 4ZZ -0.00144 0.00250 0.00364 -0.00128 -0.00034 108 4XY 0.00029 -0.00069 0.00060 -0.00166 -0.00054 109 4XZ 0.00222 -0.00390 -0.00011 0.00324 0.00273 110 4YZ -0.00169 0.00287 0.00396 0.00211 -0.00188 111 11 H 1S 0.00252 -0.00760 -0.00293 -0.00053 0.01268 112 2S 0.00621 -0.01353 -0.00834 -0.00484 0.04800 113 3PX 0.00031 -0.00035 -0.00012 0.00041 0.00136 114 3PY -0.00033 0.00045 0.00082 0.00015 -0.00121 115 3PZ 0.00003 -0.00032 -0.00011 0.00029 -0.00001 116 12 H 1S 0.00252 -0.00760 -0.00107 0.00449 -0.01218 117 2S 0.00621 -0.01353 -0.00125 0.01433 -0.04679 118 3PX 0.00033 -0.00041 0.00003 0.00095 -0.00110 119 3PY -0.00030 0.00030 0.00054 -0.00025 0.00125 120 3PZ -0.00011 0.00042 0.00036 -0.00025 0.00024 56 57 58 59 60 56 3S 0.03510 57 3PX -0.00734 0.02952 58 3PY 0.00725 0.00606 0.02965 59 3PZ 0.00091 0.00077 -0.00076 0.03555 60 4XX 0.00129 0.00186 0.00258 0.00033 0.00061 61 4YY 0.00131 -0.00255 -0.00190 0.00032 -0.00031 62 4ZZ 0.00198 0.00018 -0.00018 -0.00058 0.00000 63 4XY 0.00080 0.00069 -0.00062 -0.00041 -0.00005 64 4XZ 0.00010 0.00009 -0.00041 0.00253 -0.00002 65 4YZ -0.00010 -0.00041 0.00008 -0.00250 -0.00006 66 8 B 1S -0.00087 -0.00923 0.00913 0.00116 0.00000 67 2S -0.01145 0.00860 -0.00851 -0.00108 0.00006 68 2PX 0.02488 -0.02741 -0.00487 -0.00062 0.00055 69 2PY -0.02461 -0.00487 -0.02752 0.00061 0.00113 70 2PZ -0.00311 -0.00061 0.00061 -0.03226 0.00014 71 3S -0.01306 0.00634 -0.00627 -0.00080 0.00007 72 3PX -0.00634 -0.01094 -0.01274 -0.00161 -0.00043 73 3PY 0.00627 -0.01274 -0.01122 0.00159 0.00007 74 3PZ 0.00080 -0.00161 0.00159 -0.02363 0.00001 75 4XX 0.00007 0.00043 -0.00007 -0.00001 -0.00022 76 4YY 0.00004 0.00008 -0.00044 -0.00001 0.00031 77 4ZZ -0.00140 0.00069 -0.00068 -0.00013 -0.00008 78 4XY -0.00171 0.00051 -0.00050 -0.00009 -0.00005 79 4XZ -0.00022 0.00006 -0.00009 0.00020 -0.00002 80 4YZ 0.00021 -0.00009 0.00006 -0.00019 0.00004 81 9 B 1S 0.00322 0.00662 0.00201 0.00090 0.00168 82 2S 0.01431 -0.01066 -0.01527 -0.00389 -0.00289 83 2PX -0.02139 0.02636 0.01096 0.00305 -0.00049 84 2PY 0.02086 -0.03933 -0.01573 -0.00919 -0.00317 85 2PZ 0.00262 -0.00712 -0.00543 0.01356 -0.00062 86 3S 0.00756 -0.00923 -0.00353 -0.00140 -0.00219 87 3PX -0.00926 0.02127 0.01616 0.00442 0.00203 88 3PY 0.00373 -0.01639 -0.00441 -0.00331 0.00003 89 3PZ 0.00006 -0.00216 -0.00088 0.00557 0.00030 90 4XX -0.00220 0.00202 -0.00012 0.00027 0.00000 91 4YY 0.00276 -0.00290 0.00049 -0.00131 -0.00003 92 4ZZ 0.00005 -0.00023 -0.00074 0.00088 -0.00021 93 4XY 0.00068 0.00065 -0.00043 -0.00007 0.00015 94 4XZ -0.00005 0.00040 0.00018 -0.00109 0.00004 95 4YZ 0.00071 -0.00087 -0.00048 0.00313 0.00002 96 10 B 1S 0.00322 0.00181 -0.00346 0.00578 -0.00060 97 2S 0.01431 0.00384 0.00125 -0.01859 0.00090 98 2PX -0.02122 0.01472 -0.00912 0.03443 0.00217 99 2PY 0.02106 0.00072 0.02212 -0.02750 0.00338 100 2PZ 0.00245 -0.00084 0.00862 -0.01266 0.00270 101 3S 0.00756 -0.00211 0.00457 -0.00862 0.00070 102 3PX -0.00621 0.00575 -0.00548 0.02025 0.00087 103 3PY 0.00721 0.00089 0.01078 -0.02074 0.00151 104 3PZ -0.00303 -0.00258 0.00265 0.00591 0.00047 105 4XX 0.00011 -0.00242 -0.00148 -0.00113 -0.00016 106 4YY -0.00083 0.00173 0.00145 0.00045 0.00005 107 4ZZ 0.00133 0.00041 0.00060 -0.00033 0.00024 108 4XY 0.00038 0.00026 -0.00062 -0.00028 -0.00006 109 4XZ -0.00213 0.00172 -0.00083 0.00134 0.00021 110 4YZ 0.00173 0.00017 0.00253 -0.00089 0.00037 111 11 H 1S 0.00851 0.00355 -0.00326 -0.00135 -0.00080 112 2S 0.00831 0.00386 -0.00628 0.00834 -0.00146 113 3PX -0.00037 0.00016 -0.00017 0.00080 0.00004 114 3PY 0.00027 0.00001 0.00039 -0.00068 0.00007 115 3PZ 0.00039 0.00015 -0.00002 -0.00027 -0.00002 116 12 H 1S 0.00851 0.00341 -0.00363 0.00047 -0.00073 117 2S 0.00831 0.00519 -0.00268 -0.00948 -0.00079 118 3PX -0.00032 0.00029 0.00013 -0.00075 0.00003 119 3PY 0.00041 -0.00005 0.00003 0.00084 0.00003 120 3PZ -0.00030 -0.00010 0.00017 -0.00005 0.00005 61 62 63 64 65 61 4YY 0.00062 62 4ZZ 0.00000 0.00034 63 4XY -0.00005 0.00014 0.00036 64 4XZ 0.00001 0.00002 -0.00003 0.00047 65 4YZ -0.00003 0.00009 -0.00003 -0.00015 0.00046 66 8 B 1S 0.00002 0.00084 0.00098 0.00012 -0.00012 67 2S 0.00001 -0.00204 -0.00243 -0.00031 0.00030 68 2PX -0.00107 0.00187 0.00253 0.00032 -0.00044 69 2PY -0.00061 -0.00185 -0.00248 -0.00044 0.00031 70 2PZ 0.00013 -0.00045 -0.00044 0.00092 -0.00091 71 3S 0.00004 -0.00140 -0.00171 -0.00022 0.00021 72 3PX -0.00008 -0.00069 -0.00051 -0.00006 0.00009 73 3PY 0.00044 0.00068 0.00050 0.00009 -0.00006 74 3PZ 0.00001 0.00013 0.00009 -0.00019 0.00019 75 4XX 0.00031 -0.00008 -0.00005 -0.00002 0.00004 76 4YY -0.00021 -0.00010 -0.00004 -0.00010 -0.00003 77 4ZZ -0.00010 0.00004 -0.00008 0.00010 0.00001 78 4XY -0.00004 -0.00008 0.00011 0.00000 -0.00006 79 4XZ -0.00010 0.00010 0.00000 -0.00001 0.00033 80 4YZ -0.00003 0.00001 -0.00006 0.00033 -0.00002 81 9 B 1S -0.00321 0.00026 0.00026 0.00016 -0.00082 82 2S 0.00556 -0.00075 -0.00045 -0.00026 0.00150 83 2PX -0.00021 -0.00120 -0.00302 -0.00051 0.00054 84 2PY 0.00427 0.00173 -0.00139 -0.00057 0.00198 85 2PZ 0.00320 -0.00214 0.00008 -0.00047 -0.00599 86 3S 0.00279 0.00002 -0.00066 -0.00032 0.00062 87 3PX -0.00305 -0.00010 -0.00070 0.00012 -0.00049 88 3PY -0.00041 0.00078 -0.00049 0.00007 0.00042 89 3PZ 0.00088 -0.00118 0.00032 -0.00100 -0.00319 90 4XX -0.00005 -0.00019 -0.00015 -0.00002 0.00006 91 4YY 0.00025 0.00013 -0.00001 -0.00009 0.00019 92 4ZZ 0.00015 0.00008 0.00003 0.00006 -0.00018 93 4XY -0.00001 0.00000 -0.00003 -0.00002 0.00008 94 4XZ 0.00007 -0.00011 -0.00001 0.00003 -0.00021 95 4YZ 0.00019 -0.00012 -0.00003 0.00023 -0.00037 96 10 B 1S 0.00034 -0.00100 0.00056 0.00222 -0.00182 97 2S -0.00072 0.00175 -0.00115 -0.00390 0.00311 98 2PX -0.00187 -0.00274 -0.00023 -0.00057 -0.00452 99 2PY -0.00182 0.00067 0.00196 -0.00309 -0.00208 100 2PZ 0.00004 -0.00177 -0.00124 -0.00326 0.00241 101 3S -0.00029 0.00020 -0.00032 -0.00211 0.00208 102 3PX -0.00039 -0.00120 0.00019 -0.00060 -0.00249 103 3PY -0.00071 0.00005 0.00068 -0.00269 -0.00049 104 3PZ 0.00063 -0.00150 -0.00001 0.00114 -0.00149 105 4XX 0.00016 0.00001 0.00006 -0.00011 0.00019 106 4YY -0.00011 -0.00005 0.00001 -0.00004 0.00012 107 4ZZ -0.00005 0.00003 -0.00014 -0.00010 -0.00005 108 4XY 0.00008 0.00004 0.00009 0.00003 0.00006 109 4XZ -0.00028 -0.00019 0.00000 -0.00002 -0.00019 110 4YZ -0.00024 0.00006 0.00015 -0.00013 -0.00008 111 11 H 1S -0.00057 0.00210 0.00028 0.00009 -0.00094 112 2S -0.00011 0.00216 0.00034 0.00239 -0.00334 113 3PX -0.00001 -0.00007 -0.00001 -0.00002 -0.00009 114 3PY -0.00001 -0.00002 0.00003 -0.00008 -0.00003 115 3PZ -0.00004 0.00009 0.00003 -0.00004 -0.00002 116 12 H 1S -0.00077 0.00223 0.00035 -0.00049 -0.00039 117 2S -0.00189 0.00327 0.00100 -0.00281 0.00163 118 3PX -0.00008 0.00002 -0.00003 0.00002 0.00008 119 3PY -0.00004 0.00006 0.00000 0.00010 0.00000 120 3PZ 0.00001 -0.00008 -0.00002 0.00001 0.00005 66 67 68 69 70 66 8 B 1S 1.02091 67 2S 0.00299 0.11012 68 2PX 0.00015 -0.00764 0.12510 69 2PY -0.00015 0.00756 -0.00564 0.12498 70 2PZ -0.00002 0.00096 -0.00071 0.00071 0.11949 71 3S -0.07081 0.03074 -0.02776 0.02747 0.00348 72 3PX 0.00010 0.03212 0.03630 0.02613 0.00331 73 3PY -0.00010 -0.03178 0.02613 0.03686 -0.00327 74 3PZ -0.00001 -0.00402 0.00331 -0.00327 0.06230 75 4XX -0.00910 0.00186 -0.00538 -0.00399 -0.00051 76 4YY -0.00908 0.00180 0.00391 0.00545 -0.00049 77 4ZZ -0.00817 -0.00073 -0.00191 0.00189 0.00142 78 4XY 0.00108 -0.00300 -0.00152 0.00139 0.00086 79 4XZ 0.00014 -0.00038 -0.00019 0.00086 -0.00532 80 4YZ -0.00013 0.00038 0.00086 -0.00017 0.00527 81 9 B 1S 0.00613 -0.00904 0.02402 0.00672 0.00316 82 2S -0.00904 0.01633 -0.04793 -0.01164 -0.00594 83 2PX -0.02408 0.04803 -0.09231 -0.02210 -0.01462 84 2PY 0.00723 -0.01265 0.02522 0.01171 -0.00453 85 2PZ -0.00034 0.00103 -0.00506 -0.00807 0.04145 86 3S 0.00322 0.01431 -0.02091 -0.02072 -0.00575 87 3PX -0.00215 0.01569 -0.01725 -0.01065 -0.00458 88 3PY 0.00653 -0.01071 0.03964 0.02556 0.00506 89 3PZ 0.00116 -0.00099 0.00559 0.00130 0.01587 90 4XX -0.00333 0.00578 -0.00484 0.00018 -0.00121 91 4YY 0.00164 -0.00284 0.00309 -0.00066 0.00028 92 4ZZ 0.00042 -0.00102 -0.00111 -0.00133 0.00035 93 4XY -0.00022 0.00037 -0.00126 0.00317 -0.00080 94 4XZ -0.00037 0.00066 -0.00108 -0.00061 0.00660 95 4YZ 0.00028 -0.00040 0.00094 0.00049 -0.00042 96 10 B 1S 0.00613 -0.00904 0.00690 -0.01279 0.02052 97 2S -0.00904 0.01633 -0.01476 0.02615 -0.03958 98 2PX -0.01476 0.02845 0.00587 0.05004 -0.04136 99 2PY 0.01785 -0.03496 0.04078 -0.01577 0.06263 100 2PZ -0.00979 0.02090 -0.00817 0.02863 -0.02924 101 3S 0.00322 0.01431 0.00235 0.00578 -0.02934 102 3PX -0.00462 0.01299 0.00482 0.01941 -0.03156 103 3PY 0.00371 -0.01379 0.00958 -0.00308 0.03031 104 3PZ 0.00367 0.00176 0.00371 -0.00582 0.02243 105 4XX 0.00015 -0.00040 0.00403 0.00200 -0.00083 106 4YY -0.00085 0.00134 -0.00343 -0.00334 -0.00345 107 4ZZ -0.00056 0.00099 -0.00084 0.00249 0.00105 108 4XY 0.00080 -0.00158 -0.00136 0.00003 0.00022 109 4XZ -0.00184 0.00314 0.00089 0.00448 -0.00145 110 4YZ 0.00219 -0.00385 0.00349 -0.00133 0.00168 111 11 H 1S 0.00252 -0.00760 0.00107 -0.00449 0.01218 112 2S 0.00621 -0.01353 0.00125 -0.01433 0.04679 113 3PX -0.00033 0.00041 0.00003 0.00095 -0.00110 114 3PY 0.00030 -0.00030 0.00054 -0.00025 0.00125 115 3PZ 0.00011 -0.00042 0.00036 -0.00025 0.00024 116 12 H 1S 0.00252 -0.00760 0.00293 0.00053 -0.01268 117 2S 0.00621 -0.01353 0.00834 0.00484 -0.04800 118 3PX -0.00031 0.00035 -0.00012 0.00041 0.00136 119 3PY 0.00033 -0.00045 0.00082 0.00015 -0.00121 120 3PZ -0.00003 0.00032 -0.00011 0.00029 -0.00001 71 72 73 74 75 71 3S 0.03510 72 3PX 0.00734 0.02952 73 3PY -0.00725 0.00606 0.02965 74 3PZ -0.00092 0.00077 -0.00076 0.03555 75 4XX 0.00129 -0.00186 -0.00258 -0.00033 0.00061 76 4YY 0.00131 0.00255 0.00190 -0.00032 -0.00031 77 4ZZ 0.00198 -0.00018 0.00018 0.00058 0.00000 78 4XY 0.00080 -0.00069 0.00062 0.00041 -0.00005 79 4XZ 0.00010 -0.00009 0.00041 -0.00253 -0.00002 80 4YZ -0.00010 0.00041 -0.00008 0.00250 -0.00006 81 9 B 1S 0.00322 0.00209 0.00649 0.00147 -0.00333 82 2S 0.01431 -0.01561 -0.01038 -0.00327 0.00579 83 2PX 0.02108 -0.01701 -0.03905 -0.01030 0.00486 84 2PY -0.02116 0.01123 0.02616 0.00306 -0.00023 85 2PZ -0.00270 -0.00014 -0.00070 0.01504 0.00120 86 3S 0.00756 -0.00366 -0.00905 -0.00210 0.00288 87 3PX 0.00373 -0.00477 -0.01623 -0.00408 -0.00027 88 3PY -0.00912 0.01632 0.02074 0.00422 -0.00310 89 3PZ -0.00156 0.00250 0.00179 0.00646 -0.00020 90 4XX 0.00287 0.00030 -0.00295 -0.00102 0.00031 91 4YY -0.00214 -0.00012 0.00184 0.00075 -0.00004 92 4ZZ -0.00012 -0.00057 0.00001 0.00002 0.00009 93 4XY 0.00064 -0.00039 0.00080 -0.00049 0.00000 94 4XZ 0.00038 -0.00026 -0.00079 0.00328 0.00008 95 4YZ -0.00043 0.00016 0.00073 -0.00096 0.00000 96 10 B 1S 0.00322 -0.00271 0.00101 0.00634 -0.00008 97 2S 0.01431 -0.00111 0.00614 -0.01797 -0.00001 98 2PX 0.02125 0.01923 0.00458 -0.03131 -0.00215 99 2PY -0.02096 -0.00525 0.01005 0.03772 -0.00294 100 2PZ -0.00287 0.00396 0.00160 -0.00510 0.00045 101 3S 0.00756 0.00346 -0.00094 -0.00932 0.00017 102 3PX 0.00678 0.00846 0.00321 -0.02088 -0.00076 103 3PY -0.00565 -0.00315 0.00353 0.02012 -0.00098 104 3PZ -0.00466 0.00195 -0.00326 0.01044 0.00025 105 4XX -0.00042 0.00200 0.00173 0.00022 -0.00014 106 4YY 0.00059 -0.00146 -0.00257 -0.00156 0.00026 107 4ZZ 0.00045 -0.00010 0.00069 0.00026 -0.00007 108 4XY -0.00014 -0.00099 0.00046 0.00020 0.00008 109 4XZ 0.00199 0.00209 0.00020 -0.00124 -0.00023 110 4YZ -0.00220 -0.00079 0.00104 0.00143 -0.00029 111 11 H 1S 0.00851 -0.00341 0.00363 -0.00047 -0.00073 112 2S 0.00831 -0.00519 0.00268 0.00948 -0.00079 113 3PX 0.00032 0.00029 0.00013 -0.00075 -0.00003 114 3PY -0.00041 -0.00005 0.00003 0.00084 -0.00003 115 3PZ 0.00030 -0.00010 0.00017 -0.00005 -0.00005 116 12 H 1S 0.00851 -0.00355 0.00326 0.00135 -0.00080 117 2S 0.00831 -0.00386 0.00628 -0.00834 -0.00146 118 3PX 0.00037 0.00016 -0.00017 0.00080 -0.00004 119 3PY -0.00027 0.00001 0.00039 -0.00068 -0.00007 120 3PZ -0.00039 0.00015 -0.00002 -0.00027 0.00002 76 77 78 79 80 76 4YY 0.00062 77 4ZZ 0.00000 0.00034 78 4XY -0.00005 0.00014 0.00036 79 4XZ 0.00001 0.00002 -0.00003 0.00047 80 4YZ -0.00003 0.00009 -0.00003 -0.00015 0.00046 81 9 B 1S 0.00163 0.00043 0.00030 -0.00026 0.00031 82 2S -0.00282 -0.00104 -0.00052 0.00048 -0.00046 83 2PX -0.00306 0.00107 -0.00148 0.00053 -0.00107 84 2PY -0.00048 -0.00117 -0.00319 0.00083 0.00003 85 2PZ -0.00020 -0.00117 0.00065 -0.00658 -0.00032 86 3S -0.00211 -0.00015 -0.00070 0.00011 -0.00053 87 3PX 0.00007 0.00060 -0.00046 0.00009 -0.00008 88 3PY 0.00187 0.00013 -0.00077 0.00028 0.00061 89 3PZ 0.00075 -0.00074 0.00059 -0.00336 -0.00083 90 4XX -0.00002 0.00007 -0.00002 0.00007 -0.00006 91 4YY -0.00001 -0.00018 -0.00016 0.00006 0.00002 92 4ZZ -0.00020 0.00010 0.00005 -0.00013 -0.00003 93 4XY 0.00016 -0.00002 -0.00005 0.00010 -0.00001 94 4XZ -0.00004 0.00002 0.00006 -0.00043 0.00024 95 4YZ 0.00004 -0.00009 0.00000 -0.00021 0.00005 96 10 B 1S -0.00106 -0.00013 0.00107 -0.00185 0.00206 97 2S 0.00169 0.00024 -0.00204 0.00314 -0.00362 98 2PX 0.00444 0.00004 0.00148 -0.00119 -0.00314 99 2PY 0.00188 -0.00143 0.00052 -0.00473 0.00026 100 2PZ 0.00301 -0.00308 -0.00205 0.00144 -0.00187 101 3S 0.00112 -0.00068 -0.00084 0.00200 -0.00185 102 3PX 0.00209 -0.00054 0.00042 -0.00052 -0.00228 103 3PY 0.00099 -0.00065 0.00038 -0.00227 -0.00060 104 3PZ 0.00006 -0.00090 0.00035 -0.00197 0.00156 105 4XX 0.00015 -0.00007 0.00002 0.00012 -0.00005 106 4YY -0.00018 -0.00002 0.00002 0.00020 -0.00014 107 4ZZ 0.00020 -0.00001 -0.00017 -0.00008 -0.00002 108 4XY -0.00009 0.00001 0.00008 0.00004 0.00002 109 4XZ 0.00041 0.00006 0.00012 -0.00003 -0.00010 110 4YZ 0.00016 -0.00015 0.00004 -0.00014 0.00002 111 11 H 1S -0.00077 0.00223 0.00035 -0.00049 -0.00039 112 2S -0.00189 0.00327 0.00100 -0.00281 0.00163 113 3PX 0.00008 -0.00002 0.00003 -0.00002 -0.00008 114 3PY 0.00004 -0.00006 0.00000 -0.00010 0.00000 115 3PZ -0.00001 0.00008 0.00002 -0.00001 -0.00005 116 12 H 1S -0.00057 0.00210 0.00028 0.00009 -0.00094 117 2S -0.00011 0.00216 0.00034 0.00239 -0.00334 118 3PX 0.00001 0.00007 0.00001 0.00002 0.00009 119 3PY 0.00001 0.00002 -0.00003 0.00008 0.00003 120 3PZ 0.00004 -0.00009 -0.00003 0.00004 0.00002 81 82 83 84 85 81 9 B 1S 1.02091 82 2S 0.00299 0.11012 83 2PX -0.00015 0.00758 0.12501 84 2PY -0.00014 0.00740 0.00547 0.12475 85 2PZ -0.00004 0.00206 0.00153 0.00149 0.11982 86 3S -0.07081 0.03074 0.02755 0.02689 0.00749 87 3PX -0.00010 -0.03186 0.03673 -0.02537 -0.00708 88 3PY -0.00009 -0.03110 -0.02537 0.03794 -0.00691 89 3PZ -0.00003 -0.00867 -0.00707 -0.00691 0.06078 90 4XX -0.00909 0.00181 0.00543 -0.00381 -0.00106 91 4YY -0.00904 0.00169 -0.00363 0.00557 -0.00099 92 4ZZ -0.00823 -0.00058 0.00155 0.00151 0.00296 93 4XY -0.00105 0.00291 -0.00138 -0.00109 -0.00181 94 4XZ -0.00029 0.00081 -0.00038 -0.00181 0.00489 95 4YZ -0.00028 0.00079 -0.00181 -0.00030 0.00477 96 10 B 1S 0.00613 -0.00904 -0.01006 -0.01261 0.01929 97 2S -0.00904 0.01633 0.02087 0.02578 -0.03700 98 2PX 0.01639 -0.03190 -0.00412 -0.05397 0.04643 99 2PY 0.01752 -0.03433 -0.04968 -0.01372 0.05513 100 2PZ -0.00753 0.01651 0.01252 0.02085 -0.02130 101 3S 0.00322 0.01431 0.00204 0.00577 -0.02935 102 3PX 0.00412 -0.01339 0.00053 -0.01849 0.02902 103 3PY 0.00362 -0.01351 -0.01393 -0.00243 0.02795 104 3PZ 0.00431 -0.00016 -0.00702 -0.00847 0.02609 105 4XX -0.00036 0.00049 -0.00389 0.00321 -0.00175 106 4YY -0.00081 0.00127 0.00385 -0.00341 -0.00291 107 4ZZ -0.00009 0.00017 0.00077 0.00135 0.00150 108 4XY -0.00113 0.00215 -0.00057 0.00003 -0.00061 109 4XZ 0.00192 -0.00330 -0.00028 -0.00439 0.00109 110 4YZ 0.00201 -0.00351 -0.00386 -0.00116 0.00106 111 11 H 1S 0.00252 -0.00760 -0.00291 -0.00445 0.01189 112 2S 0.00621 -0.01353 -0.00830 -0.01423 0.04610 113 3PX 0.00031 -0.00035 -0.00011 -0.00091 0.00108 114 3PY 0.00030 -0.00029 -0.00072 -0.00022 0.00113 115 3PZ 0.00015 -0.00047 -0.00042 -0.00038 0.00034 116 12 H 1S 0.00252 -0.00760 -0.00105 0.00058 -0.01297 117 2S 0.00621 -0.01353 -0.00121 0.00494 -0.04869 118 3PX 0.00032 -0.00041 0.00004 -0.00045 -0.00138 119 3PY 0.00032 -0.00044 -0.00064 0.00017 -0.00128 120 3PZ 0.00002 0.00026 0.00012 0.00023 -0.00019 86 87 88 89 90 86 3S 0.03510 87 3PX -0.00727 0.02963 88 3PY -0.00710 -0.00588 0.02990 89 3PZ -0.00199 -0.00164 -0.00161 0.03520 90 4XX 0.00130 0.00189 -0.00248 -0.00069 0.00061 91 4YY 0.00133 -0.00241 0.00197 -0.00066 -0.00030 92 4ZZ 0.00194 0.00002 0.00002 0.00121 0.00000 93 4XY -0.00078 -0.00062 -0.00049 -0.00085 0.00006 94 4XZ -0.00022 -0.00017 -0.00085 0.00232 0.00000 95 4YZ -0.00021 -0.00085 -0.00013 0.00227 -0.00009 96 10 B 1S 0.00322 0.00179 0.00097 0.00667 -0.00059 97 2S 0.01431 0.00382 0.00609 -0.01761 0.00087 98 2PX -0.02105 0.01470 -0.00492 0.03500 0.00220 99 2PY -0.02053 -0.00036 0.01009 0.03738 -0.00415 100 2PZ -0.00595 -0.00104 0.00095 -0.00062 0.00116 101 3S 0.00755 -0.00209 -0.00088 -0.00971 0.00069 102 3PX -0.00616 0.00574 -0.00279 0.02061 0.00088 103 3PY -0.00552 0.00017 0.00356 0.01992 -0.00157 104 3PZ -0.00560 -0.00271 -0.00365 0.01314 -0.00015 105 4XX 0.00011 -0.00243 0.00179 -0.00046 -0.00016 106 4YY 0.00057 0.00165 -0.00258 -0.00132 0.00031 107 4ZZ -0.00007 0.00050 0.00065 0.00065 -0.00003 108 4XY 0.00047 -0.00094 -0.00069 -0.00059 -0.00003 109 4XZ -0.00209 0.00147 -0.00003 0.00143 0.00022 110 4YZ -0.00211 0.00042 0.00095 0.00143 -0.00034 111 11 H 1S 0.00851 0.00352 0.00355 0.00003 -0.00080 112 2S 0.00831 0.00382 0.00258 0.01013 -0.00145 113 3PX -0.00037 0.00016 -0.00015 0.00080 0.00004 114 3PY -0.00041 -0.00007 0.00004 0.00082 -0.00005 115 3PZ 0.00025 0.00013 0.00015 0.00008 -0.00004 116 12 H 1S 0.00851 0.00338 0.00319 0.00185 -0.00073 117 2S 0.00831 0.00515 0.00618 -0.00769 -0.00079 118 3PX -0.00032 0.00029 0.00017 -0.00073 0.00003 119 3PY -0.00027 0.00009 0.00038 -0.00066 -0.00004 120 3PZ -0.00044 -0.00007 0.00001 -0.00040 0.00003 91 92 93 94 95 91 4YY 0.00062 92 4ZZ -0.00001 0.00035 93 4XY 0.00006 -0.00016 0.00036 94 4XZ -0.00006 0.00005 -0.00002 0.00048 95 4YZ -0.00002 0.00010 0.00002 0.00011 0.00046 96 10 B 1S -0.00101 0.00033 -0.00137 0.00181 0.00184 97 2S 0.00161 -0.00055 0.00257 -0.00312 -0.00322 98 2PX -0.00481 0.00020 0.00049 -0.00049 0.00352 99 2PY 0.00199 -0.00029 -0.00042 0.00430 0.00003 100 2PZ 0.00225 -0.00337 0.00245 -0.00091 -0.00103 101 3S 0.00109 -0.00116 0.00111 -0.00181 -0.00167 102 3PX -0.00206 0.00047 0.00009 -0.00067 0.00207 103 3PY 0.00104 -0.00011 -0.00023 0.00212 -0.00074 104 3PZ -0.00023 -0.00032 -0.00056 0.00203 0.00177 105 4XX 0.00025 -0.00009 -0.00002 -0.00013 -0.00007 106 4YY -0.00018 -0.00007 -0.00002 -0.00015 -0.00014 107 4ZZ 0.00009 -0.00001 0.00020 0.00007 0.00003 108 4XY 0.00005 0.00002 0.00009 0.00001 -0.00002 109 4XZ -0.00040 -0.00008 0.00005 -0.00001 0.00010 110 4YZ 0.00018 -0.00012 -0.00001 0.00012 0.00000 111 11 H 1S -0.00075 0.00228 -0.00029 -0.00003 -0.00044 112 2S -0.00185 0.00389 -0.00124 0.00205 0.00141 113 3PX -0.00008 0.00000 0.00001 -0.00001 0.00009 114 3PY 0.00004 -0.00003 0.00000 0.00010 0.00000 115 3PZ -0.00002 0.00008 -0.00001 -0.00001 -0.00004 116 12 H 1S -0.00056 0.00202 -0.00013 -0.00058 -0.00097 117 2S -0.00010 0.00148 0.00017 -0.00296 -0.00329 118 3PX -0.00002 -0.00005 0.00002 0.00003 -0.00010 119 3PY 0.00001 0.00000 0.00003 -0.00009 0.00003 120 3PZ 0.00004 -0.00011 0.00003 -0.00002 0.00001 96 97 98 99 100 96 10 B 1S 1.02091 97 2S 0.00299 0.11012 98 2PX 0.00002 -0.00079 0.11946 99 2PY 0.00004 -0.00213 0.00017 0.11985 100 2PZ -0.00020 0.01055 -0.00081 -0.00220 0.13026 101 3S -0.07081 0.03074 -0.00286 -0.00775 0.03833 102 3PX 0.00001 0.00332 0.06243 -0.00076 0.00377 103 3PY 0.00003 0.00896 -0.00076 0.06065 0.01018 104 3PZ -0.00013 -0.04434 0.00377 0.01018 0.01237 105 4XX -0.00817 -0.00074 -0.00117 -0.00054 0.00267 106 4YY -0.00823 -0.00056 -0.00016 -0.00305 0.00211 107 4ZZ -0.00996 0.00424 0.00098 0.00265 -0.00012 108 4XY -0.00003 0.00009 -0.00150 -0.00050 -0.00028 109 4XZ 0.00016 -0.00043 0.00740 -0.00028 0.00081 110 4YZ 0.00042 -0.00117 -0.00028 0.00675 0.00219 111 11 H 1S -0.03122 0.04922 0.00696 0.01880 -0.09301 112 2S -0.02713 0.03107 0.01175 0.03176 -0.15708 113 3PX 0.00014 -0.00017 0.00240 -0.00009 0.00044 114 3PY 0.00037 -0.00045 -0.00009 0.00220 0.00118 115 3PZ -0.00181 0.00223 0.00044 0.00118 -0.00340 116 12 H 1S -0.00629 0.00850 -0.00081 -0.00220 0.01087 117 2S -0.02118 0.03077 -0.00373 -0.01008 0.04986 118 3PX -0.00001 -0.00001 -0.00112 0.00002 -0.00009 119 3PY -0.00004 -0.00003 0.00002 -0.00108 -0.00025 120 3PZ 0.00019 0.00016 -0.00009 -0.00025 0.00011 101 102 103 104 105 101 3S 0.03510 102 3PX 0.00076 0.03558 103 3PY 0.00205 -0.00018 0.03517 104 3PZ -0.01013 0.00088 0.00236 0.02397 105 4XX 0.00198 -0.00048 -0.00005 0.00027 0.00050 106 4YY 0.00194 0.00000 -0.00125 0.00001 -0.00004 107 4ZZ 0.00066 0.00054 0.00145 -0.00098 -0.00012 108 4XY -0.00002 -0.00071 -0.00024 -0.00013 0.00001 109 4XZ 0.00012 0.00352 -0.00013 0.00038 -0.00003 110 4YZ 0.00031 -0.00013 0.00321 0.00102 0.00002 111 11 H 1S -0.01384 0.00220 0.00594 -0.02940 -0.00258 112 2S -0.04387 0.00185 0.00499 -0.02470 -0.00470 113 3PX 0.00002 0.00131 -0.00004 0.00020 -0.00001 114 3PY 0.00005 -0.00004 0.00122 0.00053 0.00002 115 3PZ -0.00023 0.00019 0.00053 -0.00128 -0.00008 116 12 H 1S 0.02490 0.00090 0.00243 -0.01204 0.00104 117 2S 0.05389 0.00188 0.00507 -0.02506 0.00301 118 3PX 0.00005 -0.00090 0.00002 -0.00009 0.00000 119 3PY 0.00015 0.00002 -0.00086 -0.00024 0.00001 120 3PZ -0.00073 -0.00009 -0.00024 0.00027 -0.00003 106 107 108 109 110 106 4YY 0.00052 107 4ZZ -0.00014 0.00054 108 4XY 0.00001 -0.00002 0.00013 109 4XZ 0.00001 0.00002 -0.00010 0.00059 110 4YZ -0.00007 0.00006 -0.00003 -0.00001 0.00059 111 11 H 1S -0.00236 0.00353 0.00011 -0.00053 -0.00143 112 2S -0.00437 0.00456 0.00016 -0.00080 -0.00217 113 3PX 0.00001 0.00001 -0.00003 0.00014 0.00000 114 3PY -0.00003 0.00002 -0.00001 0.00000 0.00014 115 3PZ -0.00008 0.00014 0.00000 -0.00001 -0.00002 116 12 H 1S 0.00096 -0.00107 -0.00004 0.00018 0.00049 117 2S 0.00282 -0.00231 -0.00009 0.00046 0.00125 118 3PX 0.00000 0.00000 0.00000 -0.00001 0.00000 119 3PY 0.00001 -0.00001 0.00000 0.00000 0.00000 120 3PZ -0.00003 0.00005 0.00000 -0.00001 -0.00002 111 112 113 114 115 111 11 H 1S 0.10115 112 2S 0.14483 0.23139 113 3PX -0.00030 -0.00040 0.00005 114 3PY -0.00080 -0.00109 0.00000 0.00006 115 3PZ 0.00397 0.00540 -0.00001 -0.00002 0.00016 116 12 H 1S -0.00645 -0.02939 0.00000 0.00001 -0.00004 117 2S -0.02939 -0.08916 0.00004 0.00012 -0.00057 118 3PX 0.00000 -0.00004 -0.00003 0.00000 0.00000 119 3PY -0.00001 -0.00012 0.00000 -0.00003 -0.00001 120 3PZ 0.00004 0.00057 0.00000 -0.00001 -0.00001 116 117 118 119 120 116 12 H 1S 0.10115 117 2S 0.14483 0.23139 118 3PX 0.00030 0.00040 0.00005 119 3PY 0.00080 0.00109 0.00000 0.00006 120 3PZ -0.00397 -0.00540 -0.00001 -0.00002 0.00016 Beta Density Matrix: 1 2 3 4 5 1 1 H 1S 0.10115 2 2S 0.14483 0.23139 3 3PX 0.00285 0.00388 0.00011 4 3PY 0.00278 0.00379 0.00006 0.00011 5 3PZ 0.00078 0.00106 0.00002 0.00002 0.00006 6 2 H 1S -0.00327 -0.00437 -0.00024 0.00023 0.00003 7 2S -0.00437 -0.00507 -0.00067 0.00065 0.00008 8 3PX 0.00024 0.00066 -0.00002 0.00002 0.00000 9 3PY 0.00022 0.00064 -0.00002 0.00003 0.00000 10 3PZ 0.00006 0.00018 -0.00001 0.00001 0.00001 11 3 H 1S -0.00645 -0.02940 -0.00003 -0.00003 -0.00001 12 2S -0.02940 -0.08916 -0.00041 -0.00040 -0.00011 13 3PX 0.00003 0.00041 -0.00002 0.00001 0.00000 14 3PY 0.00003 0.00040 0.00001 -0.00002 0.00000 15 3PZ 0.00001 0.00011 0.00000 0.00000 -0.00003 16 4 H 1S -0.00327 -0.00437 0.00023 -0.00024 -0.00003 17 2S -0.00437 -0.00507 0.00066 -0.00066 -0.00008 18 3PX 0.00023 0.00065 0.00003 -0.00002 0.00000 19 3PY 0.00024 0.00065 0.00002 -0.00002 0.00000 20 3PZ 0.00006 0.00018 0.00001 -0.00001 0.00001 21 5 B 1S 0.00252 0.00621 0.00008 0.00014 -0.00043 22 2S -0.00760 -0.01353 -0.00030 -0.00036 0.00045 23 2PX 0.00873 0.03356 0.00045 -0.00006 -0.00120 24 2PY 0.00816 0.03191 -0.00025 0.00053 -0.00101 25 2PZ 0.00519 0.01589 0.00029 0.00050 -0.00096 26 3S 0.00851 0.00831 0.00021 0.00014 0.00055 27 3PX -0.00029 0.00687 0.00008 -0.00003 -0.00082 28 3PY 0.00033 0.00751 -0.00011 0.00020 -0.00080 29 3PZ -0.00498 -0.00450 -0.00016 -0.00013 -0.00001 30 4XX 0.00089 0.00144 -0.00005 0.00009 0.00004 31 4YY 0.00087 0.00186 0.00008 -0.00004 0.00001 32 4ZZ -0.00102 -0.00271 -0.00002 -0.00004 0.00001 33 4XY 0.00165 0.00262 0.00005 0.00004 0.00000 34 4XZ 0.00020 -0.00187 -0.00002 0.00005 0.00006 35 4YZ 0.00027 -0.00159 0.00007 -0.00003 0.00006 36 6 B 1S -0.00629 -0.02118 -0.00013 -0.00013 -0.00004 37 2S 0.00850 0.03077 -0.00011 -0.00011 -0.00003 38 2PX -0.00781 -0.03582 -0.00049 0.00062 0.00017 39 2PY -0.00762 -0.03497 0.00062 -0.00052 0.00017 40 2PZ -0.00213 -0.00975 0.00017 0.00017 -0.00108 41 3S 0.02490 0.05389 0.00052 0.00051 0.00014 42 3PX 0.00865 0.01801 -0.00030 0.00059 0.00017 43 3PY 0.00845 0.01758 0.00059 -0.00033 0.00016 44 3PZ 0.00236 0.00491 0.00016 0.00016 -0.00086 45 4XX -0.00004 0.00028 0.00000 -0.00001 0.00000 46 4YY 0.00001 0.00041 -0.00001 0.00000 0.00000 47 4ZZ 0.00097 0.00284 0.00002 0.00002 0.00001 48 4XY -0.00123 -0.00312 -0.00004 -0.00003 -0.00001 49 4XZ -0.00034 -0.00087 -0.00001 -0.00001 0.00000 50 4YZ -0.00034 -0.00085 -0.00001 -0.00001 0.00000 51 7 B 1S 0.00252 0.00621 0.00037 -0.00027 -0.00003 52 2S -0.00760 -0.01353 -0.00065 0.00012 -0.00002 53 2PX 0.00693 0.02926 0.00039 -0.00063 -0.00015 54 2PY 0.01070 0.03799 0.00146 -0.00098 -0.00022 55 2PZ 0.00268 0.00987 0.00028 -0.00038 0.00060 56 3S 0.00851 0.00831 -0.00010 0.00058 0.00011 57 3PX 0.00283 0.01093 0.00067 -0.00067 -0.00010 58 3PY -0.00408 0.00177 0.00025 -0.00058 -0.00014 59 3PZ -0.00061 0.00118 0.00009 -0.00021 0.00018 60 4XX 0.00098 0.00378 0.00004 -0.00004 0.00000 61 4YY 0.00022 -0.00259 -0.00003 0.00007 0.00006 62 4ZZ -0.00046 -0.00060 -0.00003 0.00003 -0.00005 63 4XY 0.00184 0.00253 0.00004 0.00007 0.00003 64 4XZ 0.00050 0.00089 0.00002 0.00002 -0.00003 65 4YZ 0.00032 -0.00027 0.00001 0.00005 -0.00011 66 8 B 1S 0.00252 0.00621 -0.00027 0.00036 0.00005 67 2S -0.00760 -0.01353 0.00012 -0.00064 -0.00012 68 2PX 0.01093 0.03885 -0.00103 0.00147 0.00017 69 2PY 0.00674 0.02850 -0.00062 0.00040 -0.00010 70 2PZ 0.00218 0.00867 -0.00025 0.00006 0.00065 71 3S 0.00851 0.00831 0.00059 -0.00010 0.00002 72 3PX -0.00413 0.00187 -0.00061 0.00026 -0.00001 73 3PY 0.00281 0.01073 -0.00066 0.00066 0.00004 74 3PZ 0.00026 0.00231 -0.00020 0.00011 0.00022 75 4XX 0.00027 -0.00263 0.00008 -0.00003 0.00002 76 4YY 0.00090 0.00360 -0.00004 0.00003 0.00002 77 4ZZ -0.00044 -0.00038 0.00001 -0.00002 -0.00003 78 4XY 0.00185 0.00258 0.00007 0.00004 0.00004 79 4XZ 0.00044 0.00035 0.00003 0.00003 -0.00012 80 4YZ 0.00048 0.00118 0.00000 0.00003 -0.00003 81 9 B 1S -0.03122 -0.02713 -0.00130 -0.00127 -0.00035 82 2S 0.04922 0.03107 0.00160 0.00157 0.00044 83 2PX -0.06683 -0.11286 -0.00057 -0.00294 -0.00082 84 2PY -0.06524 -0.11019 -0.00294 -0.00043 -0.00080 85 2PZ -0.01819 -0.03072 -0.00082 -0.00080 0.00221 86 3S -0.01384 -0.04388 -0.00017 -0.00016 -0.00005 87 3PX -0.02112 -0.01774 -0.00002 -0.00131 -0.00037 88 3PY -0.02062 -0.01732 -0.00131 0.00005 -0.00036 89 3PZ -0.00575 -0.00483 -0.00037 -0.00036 0.00123 90 4XX 0.00056 0.00005 0.00011 -0.00006 -0.00002 91 4YY 0.00041 -0.00017 -0.00006 0.00010 -0.00002 92 4ZZ -0.00238 -0.00440 -0.00006 -0.00005 0.00003 93 4XY 0.00357 0.00542 0.00009 0.00009 0.00000 94 4XZ 0.00100 0.00151 0.00002 0.00000 0.00010 95 4YZ 0.00097 0.00148 0.00000 0.00002 0.00009 96 10 B 1S 0.00252 0.00621 0.00002 -0.00004 0.00046 97 2S -0.00760 -0.01353 -0.00022 -0.00015 -0.00060 98 2PX 0.00914 0.03454 0.00030 -0.00052 0.00125 99 2PY 0.00928 0.03458 -0.00033 0.00015 0.00140 100 2PZ -0.00033 0.00265 -0.00024 -0.00011 -0.00043 101 3S 0.00851 0.00831 0.00028 0.00034 -0.00041 102 3PX -0.00101 0.00593 -0.00005 -0.00035 0.00071 103 3PY -0.00161 0.00499 -0.00027 -0.00015 0.00068 104 3PZ 0.00463 0.00799 0.00005 0.00001 0.00047 105 4XX 0.00081 0.00078 -0.00005 0.00011 -0.00002 106 4YY 0.00067 0.00012 0.00012 -0.00004 -0.00005 107 4ZZ -0.00075 -0.00030 -0.00005 -0.00004 0.00002 108 4XY 0.00150 0.00122 0.00004 0.00005 0.00000 109 4XZ 0.00076 0.00313 0.00002 -0.00003 0.00004 110 4YZ 0.00079 0.00312 -0.00001 0.00001 0.00004 111 11 H 1S -0.00327 -0.00437 -0.00003 -0.00007 0.00033 112 2S -0.00437 -0.00507 -0.00007 -0.00019 0.00091 113 3PX 0.00024 0.00066 0.00001 -0.00001 0.00003 114 3PY 0.00023 0.00064 0.00000 0.00000 0.00003 115 3PZ 0.00006 0.00017 0.00000 0.00000 0.00002 116 12 H 1S -0.00327 -0.00437 0.00002 0.00006 -0.00033 117 2S -0.00437 -0.00507 0.00006 0.00018 -0.00092 118 3PX 0.00023 0.00066 0.00001 0.00000 -0.00003 119 3PY 0.00023 0.00064 0.00000 0.00002 -0.00003 120 3PZ 0.00007 0.00019 0.00000 0.00000 0.00000 6 7 8 9 10 6 2 H 1S 0.10115 7 2S 0.14483 0.23139 8 3PX -0.00287 -0.00391 0.00011 9 3PY 0.00284 0.00387 -0.00006 0.00011 10 3PZ 0.00036 0.00049 -0.00001 0.00001 0.00005 11 3 H 1S -0.00327 -0.00437 -0.00023 -0.00024 -0.00006 12 2S -0.00437 -0.00507 -0.00065 -0.00065 -0.00018 13 3PX -0.00023 -0.00066 0.00003 0.00002 0.00001 14 3PY 0.00024 0.00066 -0.00002 -0.00002 -0.00001 15 3PZ 0.00003 0.00008 0.00000 0.00000 0.00001 16 4 H 1S -0.00645 -0.02940 0.00003 -0.00003 0.00000 17 2S -0.02940 -0.08916 0.00041 -0.00041 -0.00005 18 3PX -0.00003 -0.00041 -0.00002 -0.00001 0.00000 19 3PY 0.00003 0.00041 -0.00001 -0.00002 0.00000 20 3PZ 0.00000 0.00005 0.00000 0.00000 -0.00003 21 5 B 1S 0.00252 0.00621 -0.00002 0.00014 -0.00044 22 2S -0.00760 -0.01353 0.00023 -0.00037 0.00049 23 2PX -0.00921 -0.03483 0.00029 -0.00001 0.00137 24 2PY 0.00835 0.03262 0.00040 0.00052 -0.00099 25 2PZ 0.00389 0.01092 -0.00010 0.00051 -0.00080 26 3S 0.00851 0.00831 -0.00029 0.00015 0.00051 27 3PX 0.00102 -0.00599 -0.00005 0.00005 0.00080 28 3PY 0.00032 0.00765 0.00023 0.00020 -0.00079 29 3PZ -0.00489 -0.00544 0.00015 -0.00013 0.00013 30 4XX 0.00084 0.00080 0.00004 0.00010 0.00006 31 4YY 0.00093 0.00195 -0.00008 -0.00004 0.00000 32 4ZZ -0.00103 -0.00216 0.00002 -0.00005 0.00000 33 4XY -0.00167 -0.00235 0.00005 -0.00004 0.00000 34 4XZ 0.00012 0.00244 0.00000 -0.00003 -0.00006 35 4YZ 0.00003 -0.00199 -0.00007 -0.00003 0.00005 36 6 B 1S 0.00252 0.00621 -0.00037 -0.00026 -0.00008 37 2S -0.00760 -0.01353 0.00064 0.00011 0.00007 38 2PX -0.00702 -0.02957 0.00040 0.00064 0.00011 39 2PY 0.01085 0.03861 -0.00144 -0.00096 -0.00043 40 2PZ 0.00167 0.00559 -0.00031 -0.00028 0.00057 41 3S 0.00851 0.00831 0.00009 0.00058 0.00012 42 3PX -0.00279 -0.01094 0.00067 0.00067 0.00017 43 3PY -0.00402 0.00200 -0.00026 -0.00058 -0.00018 44 3PZ -0.00102 -0.00041 -0.00002 -0.00011 0.00019 45 4XX 0.00100 0.00382 -0.00004 -0.00004 -0.00001 46 4YY 0.00028 -0.00250 0.00002 0.00007 0.00006 47 4ZZ -0.00056 -0.00073 0.00004 0.00002 -0.00003 48 4XY -0.00189 -0.00262 0.00004 -0.00008 -0.00001 49 4XZ -0.00025 -0.00015 0.00000 -0.00003 0.00004 50 4YZ 0.00005 -0.00064 0.00001 0.00004 -0.00012 51 7 B 1S -0.00629 -0.02118 0.00014 -0.00013 -0.00002 52 2S 0.00850 0.03077 0.00011 -0.00011 -0.00001 53 2PX 0.00787 0.03611 -0.00048 -0.00064 -0.00008 54 2PY -0.00779 -0.03573 -0.00064 -0.00049 0.00008 55 2PZ -0.00099 -0.00452 -0.00008 0.00008 -0.00112 56 3S 0.02490 0.05389 -0.00053 0.00052 0.00007 57 3PX -0.00872 -0.01816 -0.00029 -0.00061 -0.00008 58 3PY 0.00863 0.01796 -0.00061 -0.00030 0.00008 59 3PZ 0.00109 0.00227 -0.00008 0.00008 -0.00089 60 4XX -0.00006 0.00023 0.00000 -0.00001 0.00000 61 4YY -0.00004 0.00029 0.00001 0.00000 0.00000 62 4ZZ 0.00103 0.00300 -0.00002 0.00002 0.00000 63 4XY 0.00127 0.00321 -0.00004 0.00004 0.00001 64 4XZ 0.00016 0.00041 0.00000 0.00001 -0.00001 65 4YZ -0.00016 -0.00040 0.00001 0.00000 0.00001 66 8 B 1S -0.03122 -0.02713 0.00131 -0.00130 -0.00016 67 2S 0.04922 0.03107 -0.00162 0.00160 0.00020 68 2PX 0.06737 0.11378 -0.00062 0.00303 0.00038 69 2PY -0.06666 -0.11257 0.00303 -0.00056 -0.00038 70 2PZ -0.00844 -0.01425 0.00038 -0.00038 0.00239 71 3S -0.01384 -0.04387 0.00017 -0.00017 -0.00002 72 3PX 0.02129 0.01789 -0.00004 0.00135 0.00017 73 3PY -0.02107 -0.01770 0.00135 -0.00001 -0.00017 74 3PZ -0.00267 -0.00224 0.00017 -0.00017 0.00131 75 4XX 0.00061 0.00013 -0.00011 -0.00006 -0.00001 76 4YY 0.00054 0.00003 0.00006 0.00011 -0.00001 77 4ZZ -0.00256 -0.00468 0.00006 -0.00006 0.00001 78 4XY -0.00368 -0.00558 0.00009 -0.00009 0.00000 79 4XZ -0.00047 -0.00071 0.00001 0.00000 -0.00010 80 4YZ 0.00046 0.00070 0.00000 0.00001 0.00010 81 9 B 1S 0.00252 0.00621 0.00027 0.00036 0.00009 82 2S -0.00760 -0.01353 -0.00011 -0.00063 -0.00014 83 2PX -0.01099 -0.03909 -0.00102 -0.00144 -0.00042 84 2PY 0.00697 0.02932 0.00065 0.00041 0.00000 85 2PZ 0.00059 0.00300 0.00001 -0.00016 0.00062 86 3S 0.00851 0.00831 -0.00059 -0.00009 -0.00006 87 3PX 0.00411 -0.00197 -0.00061 -0.00025 -0.00011 88 3PY 0.00272 0.01077 0.00068 0.00065 0.00014 89 3PZ 0.00086 0.00203 0.00008 0.00007 0.00023 90 4XX 0.00029 -0.00259 -0.00008 -0.00002 -0.00003 91 4YY 0.00097 0.00370 0.00003 0.00003 0.00002 92 4ZZ -0.00053 -0.00051 -0.00001 -0.00003 0.00000 93 4XY -0.00188 -0.00257 0.00008 -0.00004 -0.00003 94 4XZ -0.00031 -0.00069 0.00000 -0.00003 0.00012 95 4YZ 0.00021 0.00081 0.00002 0.00002 -0.00003 96 10 B 1S 0.00252 0.00621 -0.00008 -0.00004 0.00045 97 2S -0.00760 -0.01353 0.00031 -0.00016 -0.00056 98 2PX -0.00880 -0.03383 0.00044 0.00052 -0.00110 99 2PY 0.00947 0.03530 0.00011 0.00013 0.00146 100 2PZ -0.00163 -0.00232 0.00037 -0.00004 -0.00056 101 3S 0.00851 0.00831 -0.00021 0.00034 -0.00045 102 3PX 0.00030 -0.00692 0.00008 0.00034 -0.00075 103 3PY -0.00162 0.00512 0.00016 -0.00016 0.00073 104 3PZ 0.00472 0.00706 -0.00010 0.00007 0.00035 105 4XX 0.00091 0.00147 0.00004 0.00010 0.00000 106 4YY 0.00073 0.00017 -0.00011 -0.00004 -0.00007 107 4ZZ -0.00091 -0.00105 0.00005 -0.00003 0.00002 108 4XY -0.00160 -0.00168 0.00004 -0.00006 0.00000 109 4XZ -0.00046 -0.00276 0.00003 0.00006 -0.00004 110 4YZ 0.00058 0.00297 0.00001 0.00000 0.00004 111 11 H 1S -0.00327 -0.00437 -0.00002 -0.00007 0.00033 112 2S -0.00437 -0.00507 -0.00006 -0.00019 0.00092 113 3PX -0.00024 -0.00066 0.00001 0.00001 -0.00003 114 3PY 0.00024 0.00066 0.00000 0.00000 0.00003 115 3PZ 0.00002 0.00007 0.00000 0.00000 0.00001 116 12 H 1S -0.00327 -0.00437 0.00003 0.00006 -0.00033 117 2S -0.00437 -0.00507 0.00007 0.00018 -0.00092 118 3PX -0.00024 -0.00066 0.00001 0.00000 0.00003 119 3PY 0.00023 0.00065 0.00000 0.00002 -0.00003 120 3PZ 0.00004 0.00009 0.00000 0.00000 0.00000 11 12 13 14 15 11 3 H 1S 0.10115 12 2S 0.14483 0.23139 13 3PX -0.00285 -0.00388 0.00011 14 3PY -0.00278 -0.00379 0.00006 0.00011 15 3PZ -0.00078 -0.00106 0.00002 0.00002 0.00006 16 4 H 1S -0.00327 -0.00437 0.00024 -0.00023 -0.00003 17 2S -0.00437 -0.00507 0.00067 -0.00065 -0.00008 18 3PX -0.00024 -0.00066 -0.00002 0.00002 0.00000 19 3PY -0.00022 -0.00064 -0.00002 0.00003 0.00000 20 3PZ -0.00006 -0.00018 -0.00001 0.00001 0.00001 21 5 B 1S 0.00252 0.00621 -0.00002 0.00004 -0.00046 22 2S -0.00760 -0.01353 0.00022 0.00015 0.00060 23 2PX -0.00914 -0.03454 0.00030 -0.00052 0.00125 24 2PY -0.00928 -0.03458 -0.00033 0.00015 0.00140 25 2PZ 0.00033 -0.00265 -0.00024 -0.00011 -0.00043 26 3S 0.00851 0.00831 -0.00028 -0.00034 0.00041 27 3PX 0.00101 -0.00593 -0.00005 -0.00035 0.00071 28 3PY 0.00161 -0.00498 -0.00027 -0.00015 0.00068 29 3PZ -0.00463 -0.00799 0.00005 0.00001 0.00047 30 4XX 0.00081 0.00078 0.00005 -0.00011 0.00002 31 4YY 0.00067 0.00012 -0.00012 0.00004 0.00005 32 4ZZ -0.00075 -0.00030 0.00005 0.00004 -0.00002 33 4XY 0.00150 0.00122 -0.00004 -0.00005 0.00000 34 4XZ 0.00076 0.00313 -0.00002 0.00003 -0.00004 35 4YZ 0.00079 0.00312 0.00001 -0.00001 -0.00004 36 6 B 1S -0.03122 -0.02713 0.00130 0.00127 0.00035 37 2S 0.04922 0.03107 -0.00160 -0.00157 -0.00044 38 2PX 0.06683 0.11286 -0.00057 -0.00294 -0.00082 39 2PY 0.06524 0.11019 -0.00294 -0.00043 -0.00080 40 2PZ 0.01819 0.03072 -0.00082 -0.00080 0.00221 41 3S -0.01384 -0.04388 0.00017 0.00016 0.00005 42 3PX 0.02112 0.01774 -0.00002 -0.00131 -0.00037 43 3PY 0.02062 0.01732 -0.00131 0.00005 -0.00036 44 3PZ 0.00575 0.00483 -0.00037 -0.00036 0.00123 45 4XX 0.00056 0.00005 -0.00011 0.00006 0.00002 46 4YY 0.00041 -0.00017 0.00006 -0.00010 0.00002 47 4ZZ -0.00238 -0.00440 0.00006 0.00005 -0.00003 48 4XY 0.00357 0.00542 -0.00009 -0.00009 0.00000 49 4XZ 0.00100 0.00151 -0.00002 0.00000 -0.00010 50 4YZ 0.00097 0.00148 0.00000 -0.00002 -0.00009 51 7 B 1S 0.00252 0.00621 0.00027 -0.00036 -0.00005 52 2S -0.00760 -0.01353 -0.00012 0.00064 0.00012 53 2PX -0.01093 -0.03885 -0.00103 0.00147 0.00017 54 2PY -0.00674 -0.02850 -0.00062 0.00040 -0.00010 55 2PZ -0.00218 -0.00867 -0.00025 0.00006 0.00065 56 3S 0.00851 0.00831 -0.00059 0.00010 -0.00002 57 3PX 0.00414 -0.00187 -0.00061 0.00026 -0.00001 58 3PY -0.00281 -0.01073 -0.00066 0.00066 0.00004 59 3PZ -0.00026 -0.00231 -0.00020 0.00011 0.00022 60 4XX 0.00027 -0.00263 -0.00008 0.00003 -0.00002 61 4YY 0.00090 0.00360 0.00004 -0.00003 -0.00002 62 4ZZ -0.00044 -0.00038 -0.00001 0.00002 0.00003 63 4XY 0.00185 0.00258 -0.00007 -0.00004 -0.00004 64 4XZ 0.00044 0.00035 -0.00003 -0.00003 0.00012 65 4YZ 0.00048 0.00118 0.00000 -0.00003 0.00003 66 8 B 1S 0.00252 0.00621 -0.00037 0.00027 0.00003 67 2S -0.00760 -0.01353 0.00065 -0.00012 0.00002 68 2PX -0.00693 -0.02926 0.00039 -0.00063 -0.00015 69 2PY -0.01070 -0.03799 0.00146 -0.00098 -0.00022 70 2PZ -0.00268 -0.00987 0.00028 -0.00038 0.00060 71 3S 0.00851 0.00831 0.00010 -0.00058 -0.00011 72 3PX -0.00283 -0.01093 0.00067 -0.00067 -0.00010 73 3PY 0.00408 -0.00177 0.00025 -0.00058 -0.00014 74 3PZ 0.00061 -0.00118 0.00009 -0.00021 0.00018 75 4XX 0.00098 0.00378 -0.00004 0.00004 0.00000 76 4YY 0.00022 -0.00259 0.00003 -0.00007 -0.00006 77 4ZZ -0.00046 -0.00060 0.00003 -0.00003 0.00005 78 4XY 0.00184 0.00253 -0.00004 -0.00007 -0.00003 79 4XZ 0.00050 0.00089 -0.00002 -0.00002 0.00003 80 4YZ 0.00032 -0.00027 -0.00001 -0.00005 0.00011 81 9 B 1S -0.00629 -0.02118 0.00013 0.00013 0.00004 82 2S 0.00850 0.03077 0.00011 0.00011 0.00003 83 2PX 0.00781 0.03582 -0.00049 0.00062 0.00017 84 2PY 0.00762 0.03497 0.00062 -0.00052 0.00017 85 2PZ 0.00213 0.00975 0.00017 0.00017 -0.00108 86 3S 0.02490 0.05389 -0.00052 -0.00051 -0.00014 87 3PX -0.00865 -0.01801 -0.00030 0.00059 0.00017 88 3PY -0.00845 -0.01758 0.00059 -0.00033 0.00016 89 3PZ -0.00235 -0.00490 0.00016 0.00016 -0.00086 90 4XX -0.00004 0.00028 0.00000 0.00001 0.00000 91 4YY 0.00001 0.00041 0.00001 0.00000 0.00000 92 4ZZ 0.00097 0.00284 -0.00002 -0.00002 -0.00001 93 4XY -0.00123 -0.00312 0.00004 0.00003 0.00001 94 4XZ -0.00034 -0.00087 0.00001 0.00001 0.00000 95 4YZ -0.00034 -0.00085 0.00001 0.00001 0.00000 96 10 B 1S 0.00252 0.00621 -0.00008 -0.00014 0.00043 97 2S -0.00760 -0.01352 0.00030 0.00036 -0.00045 98 2PX -0.00873 -0.03356 0.00045 -0.00006 -0.00120 99 2PY -0.00816 -0.03191 -0.00025 0.00053 -0.00101 100 2PZ -0.00519 -0.01589 0.00029 0.00050 -0.00096 101 3S 0.00851 0.00831 -0.00021 -0.00014 -0.00055 102 3PX 0.00029 -0.00687 0.00008 -0.00003 -0.00082 103 3PY -0.00033 -0.00752 -0.00011 0.00020 -0.00080 104 3PZ 0.00498 0.00450 -0.00016 -0.00013 -0.00001 105 4XX 0.00089 0.00144 0.00005 -0.00009 -0.00004 106 4YY 0.00087 0.00186 -0.00008 0.00004 -0.00001 107 4ZZ -0.00102 -0.00271 0.00002 0.00004 -0.00001 108 4XY 0.00165 0.00262 -0.00005 -0.00004 0.00000 109 4XZ 0.00020 -0.00187 0.00002 -0.00005 -0.00006 110 4YZ 0.00027 -0.00159 -0.00007 0.00003 -0.00006 111 11 H 1S -0.00327 -0.00437 -0.00002 -0.00006 0.00033 112 2S -0.00437 -0.00507 -0.00006 -0.00018 0.00092 113 3PX -0.00023 -0.00066 0.00001 0.00000 -0.00003 114 3PY -0.00023 -0.00064 0.00000 0.00002 -0.00003 115 3PZ -0.00007 -0.00019 0.00000 0.00000 0.00000 116 12 H 1S -0.00327 -0.00437 0.00003 0.00007 -0.00033 117 2S -0.00437 -0.00507 0.00007 0.00019 -0.00091 118 3PX -0.00024 -0.00066 0.00001 -0.00001 0.00003 119 3PY -0.00023 -0.00064 0.00000 0.00000 0.00003 120 3PZ -0.00006 -0.00017 0.00000 0.00000 0.00002 16 17 18 19 20 16 4 H 1S 0.10115 17 2S 0.14483 0.23139 18 3PX 0.00287 0.00391 0.00011 19 3PY -0.00284 -0.00387 -0.00006 0.00011 20 3PZ -0.00036 -0.00049 -0.00001 0.00001 0.00005 21 5 B 1S 0.00252 0.00621 0.00008 0.00004 -0.00045 22 2S -0.00760 -0.01353 -0.00031 0.00016 0.00056 23 2PX 0.00880 0.03384 0.00044 0.00052 -0.00110 24 2PY -0.00947 -0.03530 0.00011 0.00013 0.00146 25 2PZ 0.00163 0.00232 0.00037 -0.00004 -0.00056 26 3S 0.00851 0.00831 0.00021 -0.00034 0.00045 27 3PX -0.00030 0.00692 0.00008 0.00034 -0.00075 28 3PY 0.00162 -0.00512 0.00016 -0.00016 0.00073 29 3PZ -0.00472 -0.00706 -0.00010 0.00007 0.00035 30 4XX 0.00091 0.00147 -0.00004 -0.00010 0.00000 31 4YY 0.00073 0.00017 0.00011 0.00004 0.00007 32 4ZZ -0.00091 -0.00105 -0.00005 0.00003 -0.00002 33 4XY -0.00160 -0.00168 -0.00004 0.00006 0.00000 34 4XZ -0.00046 -0.00276 -0.00003 -0.00006 0.00004 35 4YZ 0.00058 0.00297 -0.00001 0.00000 -0.00004 36 6 B 1S 0.00252 0.00621 -0.00027 -0.00036 -0.00009 37 2S -0.00760 -0.01353 0.00011 0.00063 0.00014 38 2PX 0.01099 0.03909 -0.00102 -0.00144 -0.00042 39 2PY -0.00697 -0.02932 0.00065 0.00041 0.00000 40 2PZ -0.00059 -0.00301 0.00001 -0.00016 0.00062 41 3S 0.00851 0.00831 0.00059 0.00009 0.00006 42 3PX -0.00411 0.00197 -0.00061 -0.00025 -0.00011 43 3PY -0.00272 -0.01077 0.00068 0.00065 0.00014 44 3PZ -0.00086 -0.00203 0.00008 0.00007 0.00023 45 4XX 0.00029 -0.00259 0.00008 0.00002 0.00003 46 4YY 0.00097 0.00370 -0.00003 -0.00003 -0.00002 47 4ZZ -0.00053 -0.00051 0.00001 0.00003 0.00000 48 4XY -0.00188 -0.00257 -0.00008 0.00004 0.00003 49 4XZ -0.00031 -0.00069 0.00000 0.00003 -0.00012 50 4YZ 0.00021 0.00081 -0.00002 -0.00002 0.00003 51 7 B 1S -0.03122 -0.02713 -0.00131 0.00130 0.00016 52 2S 0.04922 0.03107 0.00162 -0.00160 -0.00020 53 2PX -0.06737 -0.11378 -0.00062 0.00303 0.00038 54 2PY 0.06666 0.11257 0.00303 -0.00056 -0.00038 55 2PZ 0.00844 0.01425 0.00038 -0.00038 0.00239 56 3S -0.01384 -0.04387 -0.00017 0.00017 0.00002 57 3PX -0.02129 -0.01789 -0.00004 0.00135 0.00017 58 3PY 0.02107 0.01770 0.00135 -0.00001 -0.00017 59 3PZ 0.00267 0.00224 0.00017 -0.00017 0.00131 60 4XX 0.00061 0.00013 0.00011 0.00006 0.00001 61 4YY 0.00054 0.00003 -0.00006 -0.00011 0.00001 62 4ZZ -0.00256 -0.00468 -0.00006 0.00006 -0.00001 63 4XY -0.00368 -0.00558 -0.00009 0.00009 0.00000 64 4XZ -0.00047 -0.00071 -0.00001 0.00000 0.00010 65 4YZ 0.00046 0.00070 0.00000 -0.00001 -0.00010 66 8 B 1S -0.00629 -0.02118 -0.00014 0.00013 0.00002 67 2S 0.00850 0.03077 -0.00011 0.00011 0.00001 68 2PX -0.00787 -0.03611 -0.00048 -0.00064 -0.00008 69 2PY 0.00779 0.03573 -0.00064 -0.00049 0.00008 70 2PZ 0.00099 0.00452 -0.00008 0.00008 -0.00112 71 3S 0.02490 0.05389 0.00053 -0.00052 -0.00007 72 3PX 0.00872 0.01816 -0.00029 -0.00061 -0.00008 73 3PY -0.00863 -0.01796 -0.00061 -0.00030 0.00008 74 3PZ -0.00109 -0.00227 -0.00008 0.00008 -0.00089 75 4XX -0.00006 0.00023 0.00000 0.00001 0.00000 76 4YY -0.00004 0.00029 -0.00001 0.00000 0.00000 77 4ZZ 0.00103 0.00300 0.00002 -0.00002 0.00000 78 4XY 0.00127 0.00321 0.00004 -0.00004 -0.00001 79 4XZ 0.00016 0.00041 0.00000 -0.00001 0.00001 80 4YZ -0.00016 -0.00040 -0.00001 0.00000 -0.00001 81 9 B 1S 0.00252 0.00621 0.00037 0.00026 0.00008 82 2S -0.00760 -0.01353 -0.00064 -0.00011 -0.00007 83 2PX 0.00702 0.02957 0.00040 0.00064 0.00011 84 2PY -0.01085 -0.03861 -0.00144 -0.00096 -0.00043 85 2PZ -0.00167 -0.00559 -0.00031 -0.00028 0.00057 86 3S 0.00851 0.00831 -0.00009 -0.00058 -0.00012 87 3PX 0.00279 0.01094 0.00067 0.00067 0.00017 88 3PY 0.00402 -0.00200 -0.00026 -0.00058 -0.00018 89 3PZ 0.00102 0.00041 -0.00002 -0.00011 0.00019 90 4XX 0.00100 0.00382 0.00004 0.00004 0.00001 91 4YY 0.00028 -0.00250 -0.00002 -0.00007 -0.00006 92 4ZZ -0.00056 -0.00073 -0.00004 -0.00002 0.00003 93 4XY -0.00189 -0.00262 -0.00004 0.00008 0.00001 94 4XZ -0.00025 -0.00015 0.00000 0.00003 -0.00004 95 4YZ 0.00005 -0.00064 -0.00001 -0.00004 0.00012 96 10 B 1S 0.00252 0.00621 0.00002 -0.00014 0.00044 97 2S -0.00760 -0.01353 -0.00023 0.00037 -0.00049 98 2PX 0.00921 0.03482 0.00029 -0.00001 0.00137 99 2PY -0.00835 -0.03262 0.00040 0.00052 -0.00099 100 2PZ -0.00389 -0.01092 -0.00010 0.00051 -0.00080 101 3S 0.00851 0.00831 0.00029 -0.00015 -0.00051 102 3PX -0.00102 0.00599 -0.00005 0.00005 0.00080 103 3PY -0.00032 -0.00765 0.00023 0.00020 -0.00079 104 3PZ 0.00489 0.00544 0.00015 -0.00013 0.00013 105 4XX 0.00084 0.00080 -0.00004 -0.00010 -0.00006 106 4YY 0.00093 0.00195 0.00008 0.00004 0.00000 107 4ZZ -0.00103 -0.00216 -0.00002 0.00005 0.00000 108 4XY -0.00167 -0.00235 -0.00005 0.00004 0.00000 109 4XZ 0.00012 0.00244 0.00000 0.00003 0.00006 110 4YZ 0.00003 -0.00199 0.00007 0.00003 -0.00005 111 11 H 1S -0.00327 -0.00437 -0.00003 -0.00006 0.00033 112 2S -0.00437 -0.00507 -0.00007 -0.00018 0.00092 113 3PX 0.00024 0.00066 0.00001 0.00000 0.00003 114 3PY -0.00023 -0.00065 0.00000 0.00002 -0.00003 115 3PZ -0.00004 -0.00009 0.00000 0.00000 0.00000 116 12 H 1S -0.00327 -0.00437 0.00002 0.00007 -0.00033 117 2S -0.00437 -0.00507 0.00006 0.00019 -0.00092 118 3PX 0.00024 0.00066 0.00001 0.00001 -0.00003 119 3PY -0.00024 -0.00066 0.00000 0.00000 0.00003 120 3PZ -0.00002 -0.00007 0.00000 0.00000 0.00001 21 22 23 24 25 21 5 B 1S 1.02091 22 2S 0.00299 0.11012 23 2PX -0.00002 0.00079 0.11946 24 2PY -0.00004 0.00213 0.00016 0.11985 25 2PZ 0.00020 -0.01055 -0.00081 -0.00220 0.13026 26 3S -0.07081 0.03074 0.00286 0.00775 -0.03833 27 3PX -0.00001 -0.00332 0.06243 -0.00076 0.00377 28 3PY -0.00003 -0.00896 -0.00076 0.06065 0.01018 29 3PZ 0.00013 0.04434 0.00377 0.01018 0.01237 30 4XX -0.00817 -0.00074 0.00117 0.00054 -0.00267 31 4YY -0.00823 -0.00056 0.00016 0.00305 -0.00211 32 4ZZ -0.00996 0.00424 -0.00098 -0.00265 0.00012 33 4XY -0.00003 0.00009 0.00150 0.00050 0.00028 34 4XZ 0.00016 -0.00043 -0.00740 0.00028 -0.00081 35 4YZ 0.00042 -0.00117 0.00028 -0.00675 -0.00219 36 6 B 1S 0.00613 -0.00904 -0.01639 -0.01752 0.00753 37 2S -0.00904 0.01633 0.03189 0.03433 -0.01651 38 2PX 0.01006 -0.02087 -0.00412 -0.04968 0.01252 39 2PY 0.01261 -0.02577 -0.05397 -0.01373 0.02085 40 2PZ -0.01929 0.03700 0.04643 0.05513 -0.02130 41 3S 0.00322 0.01431 0.02105 0.02053 0.00595 42 3PX -0.00179 -0.00382 0.01470 -0.00036 -0.00104 43 3PY -0.00096 -0.00609 -0.00492 0.01009 0.00095 44 3PZ -0.00667 0.01761 0.03500 0.03738 -0.00062 45 4XX -0.00059 0.00087 -0.00220 0.00415 -0.00116 46 4YY -0.00101 0.00161 0.00481 -0.00199 -0.00225 47 4ZZ 0.00033 -0.00055 -0.00020 0.00029 0.00337 48 4XY -0.00137 0.00257 -0.00049 0.00042 -0.00245 49 4XZ 0.00181 -0.00312 0.00049 -0.00430 0.00091 50 4YZ 0.00184 -0.00322 -0.00352 -0.00003 0.00103 51 7 B 1S 0.00613 -0.00904 0.01476 -0.01785 0.00979 52 2S -0.00904 0.01633 -0.02845 0.03496 -0.02090 53 2PX -0.00690 0.01476 0.00587 0.04078 -0.00817 54 2PY 0.01279 -0.02615 0.05004 -0.01577 0.02863 55 2PZ -0.02052 0.03958 -0.04136 0.06264 -0.02924 56 3S 0.00322 0.01431 -0.02125 0.02096 0.00288 57 3PX 0.00272 0.00111 0.01924 -0.00525 0.00397 58 3PY -0.00101 -0.00614 0.00458 0.01005 0.00159 59 3PZ -0.00634 0.01797 -0.03131 0.03772 -0.00510 60 4XX -0.00008 -0.00001 0.00215 0.00294 -0.00045 61 4YY -0.00106 0.00169 -0.00444 -0.00188 -0.00301 62 4ZZ -0.00013 0.00024 -0.00004 0.00143 0.00308 63 4XY 0.00107 -0.00204 -0.00148 -0.00052 0.00205 64 4XZ -0.00185 0.00314 0.00119 0.00473 -0.00144 65 4YZ 0.00206 -0.00362 0.00314 -0.00026 0.00187 66 8 B 1S 0.00613 -0.00904 -0.01652 0.01310 0.01371 67 2S -0.00904 0.01633 0.03214 -0.02498 -0.02848 68 2PX 0.01013 -0.02101 -0.00485 0.04086 0.03093 69 2PY -0.00406 0.00924 0.03161 0.01288 -0.00641 70 2PZ -0.02266 0.04406 0.06412 -0.04041 -0.04717 71 3S 0.00322 0.01431 0.02122 -0.02106 -0.00244 72 3PX -0.00181 -0.00384 0.01472 0.00072 -0.00084 73 3PY 0.00346 -0.00125 -0.00912 0.02212 0.00863 74 3PZ -0.00578 0.01859 0.03443 -0.02750 -0.01266 75 4XX -0.00060 0.00090 -0.00217 -0.00338 -0.00270 76 4YY 0.00034 -0.00072 0.00187 0.00182 -0.00004 77 4ZZ -0.00100 0.00175 0.00274 -0.00067 0.00177 78 4XY 0.00056 -0.00115 0.00023 -0.00196 0.00124 79 4XZ 0.00222 -0.00390 0.00057 0.00309 0.00326 80 4YZ -0.00182 0.00311 0.00452 0.00208 -0.00241 81 9 B 1S 0.00613 -0.00904 0.01463 0.01277 0.01597 82 2S -0.00904 0.01633 -0.02820 -0.02435 -0.03287 83 2PX -0.00683 0.01461 0.00651 -0.03442 -0.02316 84 2PY -0.00388 0.00886 -0.03013 0.01432 -0.01032 85 2PZ -0.02389 0.04665 -0.05708 -0.04460 -0.05997 86 3S 0.00322 0.01431 -0.02107 -0.02060 -0.00552 87 3PX 0.00270 0.00109 0.01919 0.00333 0.00567 88 3PY 0.00342 -0.00130 0.00789 0.02192 0.00980 89 3PZ -0.00545 0.01895 -0.03036 -0.02663 -0.01692 90 4XX -0.00007 -0.00003 0.00215 -0.00254 -0.00153 91 4YY 0.00035 -0.00076 -0.00183 0.00179 -0.00027 92 4ZZ -0.00155 0.00271 -0.00263 -0.00143 0.00049 93 4XY -0.00027 0.00067 0.00094 0.00173 -0.00070 94 4XZ -0.00210 0.00366 0.00174 -0.00339 -0.00370 95 4YZ -0.00184 0.00316 -0.00401 0.00251 -0.00310 96 10 B 1S -0.00346 0.00996 0.00075 0.00202 -0.00999 97 2S 0.00996 -0.02109 -0.00122 -0.00329 0.01629 98 2PX -0.00075 0.00122 -0.03223 0.00069 -0.00340 99 2PY -0.00202 0.00329 0.00069 -0.03062 -0.00918 100 2PZ 0.00999 -0.01629 -0.00340 -0.00918 0.01291 101 3S -0.00087 -0.01145 -0.00257 -0.00694 0.03434 102 3PX 0.00095 -0.00089 -0.03228 0.00014 -0.00070 103 3PY 0.00258 -0.00240 0.00014 -0.03195 -0.00190 104 3PZ -0.01274 0.01187 -0.00071 -0.00190 -0.02295 105 4XX 0.00085 -0.00205 -0.00037 -0.00053 0.00261 106 4YY 0.00079 -0.00190 -0.00017 -0.00094 0.00232 107 4ZZ -0.00077 0.00199 0.00040 0.00109 -0.00306 108 4XY -0.00003 0.00007 -0.00026 -0.00007 -0.00014 109 4XZ 0.00014 -0.00035 0.00130 -0.00014 0.00059 110 4YZ 0.00038 -0.00095 -0.00014 0.00097 0.00161 111 11 H 1S -0.00629 0.00850 0.00081 0.00220 -0.01087 112 2S -0.02118 0.03077 0.00373 0.01008 -0.04986 113 3PX 0.00001 0.00001 -0.00112 0.00002 -0.00009 114 3PY 0.00004 0.00003 0.00002 -0.00108 -0.00025 115 3PZ -0.00019 -0.00016 -0.00009 -0.00025 0.00011 116 12 H 1S -0.03122 0.04922 -0.00696 -0.01880 0.09301 117 2S -0.02713 0.03107 -0.01175 -0.03176 0.15708 118 3PX -0.00014 0.00017 0.00240 -0.00009 0.00044 119 3PY -0.00037 0.00045 -0.00009 0.00220 0.00118 120 3PZ 0.00181 -0.00223 0.00044 0.00118 -0.00340 26 27 28 29 30 26 3S 0.03510 27 3PX -0.00076 0.03558 28 3PY -0.00205 -0.00018 0.03517 29 3PZ 0.01013 0.00088 0.00236 0.02397 30 4XX 0.00198 0.00048 0.00005 -0.00027 0.00050 31 4YY 0.00194 0.00000 0.00125 -0.00001 -0.00004 32 4ZZ 0.00066 -0.00054 -0.00145 0.00098 -0.00012 33 4XY -0.00002 0.00071 0.00024 0.00013 0.00001 34 4XZ 0.00012 -0.00352 0.00013 -0.00038 -0.00003 35 4YZ 0.00031 0.00013 -0.00321 -0.00102 0.00002 36 6 B 1S 0.00322 -0.00412 -0.00362 -0.00431 -0.00036 37 2S 0.01431 0.01339 0.01351 0.00016 0.00049 38 2PX -0.00204 0.00053 -0.01393 -0.00701 0.00389 39 2PY -0.00577 -0.01849 -0.00243 -0.00847 -0.00321 40 2PZ 0.02935 0.02902 0.02795 0.02609 0.00175 41 3S 0.00756 0.00616 0.00551 0.00560 0.00011 42 3PX 0.00209 0.00573 0.00017 -0.00271 0.00243 43 3PY 0.00088 -0.00279 0.00356 -0.00365 -0.00179 44 3PZ 0.00971 0.02061 0.01992 0.01314 0.00046 45 4XX 0.00069 -0.00088 0.00157 0.00015 -0.00016 46 4YY 0.00109 0.00206 -0.00104 0.00023 0.00025 47 4ZZ -0.00116 -0.00047 0.00011 0.00032 -0.00009 48 4XY 0.00111 -0.00009 0.00023 0.00056 -0.00002 49 4XZ -0.00181 0.00067 -0.00212 -0.00203 -0.00013 50 4YZ -0.00167 -0.00207 0.00074 -0.00177 -0.00007 51 7 B 1S 0.00322 0.00462 -0.00371 -0.00367 0.00015 52 2S 0.01431 -0.01299 0.01379 -0.00176 -0.00040 53 2PX -0.00235 0.00482 0.00958 0.00371 -0.00403 54 2PY -0.00578 0.01942 -0.00308 -0.00582 -0.00200 55 2PZ 0.02934 -0.03156 0.03031 0.02243 0.00083 56 3S 0.00756 -0.00678 0.00565 0.00466 -0.00042 57 3PX -0.00346 0.00846 -0.00316 0.00195 -0.00200 58 3PY 0.00094 0.00321 0.00353 -0.00326 -0.00173 59 3PZ 0.00932 -0.02088 0.02012 0.01044 -0.00022 60 4XX 0.00017 0.00076 0.00098 -0.00025 -0.00014 61 4YY 0.00112 -0.00209 -0.00099 -0.00006 0.00015 62 4ZZ -0.00068 0.00054 0.00065 0.00090 -0.00007 63 4XY -0.00084 -0.00042 -0.00038 -0.00035 0.00002 64 4XZ 0.00200 0.00052 0.00227 0.00197 0.00012 65 4YZ -0.00185 0.00228 0.00060 -0.00156 -0.00005 66 8 B 1S 0.00322 -0.00416 0.00498 -0.00257 -0.00037 67 2S 0.01431 0.01350 -0.01241 -0.00507 0.00051 68 2PX -0.00204 0.00031 0.01555 -0.00110 0.00388 69 2PY -0.00608 0.00571 0.00900 0.00121 0.00230 70 2PZ 0.02930 0.03418 -0.03492 0.01488 0.00286 71 3S 0.00756 0.00621 -0.00721 0.00303 0.00011 72 3PX 0.00212 0.00575 0.00089 -0.00258 0.00242 73 3PY -0.00457 -0.00548 0.01078 0.00265 0.00148 74 3PZ 0.00862 0.02025 -0.02074 0.00591 0.00113 75 4XX 0.00070 -0.00087 -0.00151 -0.00047 -0.00016 76 4YY -0.00029 0.00039 0.00071 -0.00063 0.00016 77 4ZZ 0.00020 0.00120 -0.00005 0.00150 0.00001 78 4XY -0.00032 -0.00019 -0.00068 0.00001 0.00006 79 4XZ -0.00211 0.00060 0.00269 -0.00114 -0.00011 80 4YZ 0.00208 0.00249 0.00049 0.00149 0.00019 81 9 B 1S 0.00322 0.00459 0.00488 -0.00194 0.00015 82 2S 0.01431 -0.01288 -0.01213 -0.00699 -0.00041 83 2PX -0.00235 0.00501 -0.01025 -0.00031 -0.00402 84 2PY -0.00608 -0.00569 0.00939 0.00037 0.00150 85 2PZ 0.02928 -0.03634 -0.03605 0.00978 0.00154 86 3S 0.00756 -0.00673 -0.00706 0.00209 -0.00042 87 3PX -0.00344 0.00843 0.00217 0.00301 -0.00200 88 3PY -0.00451 0.00512 0.01066 0.00336 0.00167 89 3PZ 0.00822 -0.02032 -0.02021 0.00335 0.00047 90 4XX 0.00016 0.00076 -0.00080 -0.00061 -0.00014 91 4YY -0.00030 -0.00028 0.00069 -0.00067 0.00008 92 4ZZ 0.00074 -0.00127 -0.00072 0.00158 -0.00001 93 4XY 0.00000 0.00019 0.00064 -0.00020 -0.00007 94 4XZ 0.00215 0.00068 -0.00282 0.00092 0.00010 95 4YZ 0.00206 -0.00268 0.00070 0.00107 0.00012 96 10 B 1S -0.00087 -0.00095 -0.00258 0.01274 0.00085 97 2S -0.01145 0.00089 0.00240 -0.01187 -0.00205 98 2PX 0.00257 -0.03228 0.00014 -0.00071 0.00037 99 2PY 0.00695 0.00014 -0.03195 -0.00190 0.00053 100 2PZ -0.03434 -0.00070 -0.00190 -0.02295 -0.00261 101 3S -0.01306 0.00065 0.00177 -0.00875 -0.00141 102 3PX -0.00065 -0.02369 0.00037 -0.00184 -0.00011 103 3PY -0.00177 0.00037 -0.02282 -0.00496 -0.00019 104 3PZ 0.00875 -0.00184 -0.00496 0.00072 0.00096 105 4XX -0.00141 0.00011 0.00019 -0.00096 0.00020 106 4YY -0.00131 0.00007 0.00028 -0.00090 -0.00030 107 4ZZ 0.00142 -0.00005 -0.00014 0.00019 -0.00004 108 4XY 0.00005 0.00006 0.00002 0.00003 -0.00001 109 4XZ -0.00025 -0.00027 0.00003 -0.00012 0.00006 110 4YZ -0.00067 0.00003 -0.00021 -0.00033 -0.00006 111 11 H 1S 0.02490 -0.00090 -0.00243 0.01204 0.00104 112 2S 0.05389 -0.00188 -0.00507 0.02506 0.00301 113 3PX -0.00005 -0.00090 0.00002 -0.00009 0.00000 114 3PY -0.00015 0.00002 -0.00086 -0.00024 -0.00001 115 3PZ 0.00073 -0.00009 -0.00024 0.00027 0.00003 116 12 H 1S -0.01384 -0.00220 -0.00594 0.02940 -0.00258 117 2S -0.04387 -0.00185 -0.00499 0.02470 -0.00470 118 3PX -0.00002 0.00131 -0.00004 0.00020 0.00001 119 3PY -0.00005 -0.00004 0.00122 0.00053 -0.00002 120 3PZ 0.00023 0.00019 0.00053 -0.00128 0.00008 31 32 33 34 35 31 4YY 0.00052 32 4ZZ -0.00014 0.00054 33 4XY 0.00001 -0.00002 0.00013 34 4XZ 0.00001 0.00002 -0.00010 0.00059 35 4YZ -0.00007 0.00006 -0.00003 -0.00001 0.00059 36 6 B 1S -0.00081 -0.00009 -0.00113 0.00192 0.00201 37 2S 0.00127 0.00017 0.00215 -0.00330 -0.00351 38 2PX -0.00385 -0.00077 0.00057 0.00028 0.00386 39 2PY 0.00341 -0.00135 -0.00003 0.00439 0.00116 40 2PZ 0.00291 -0.00150 0.00061 -0.00109 -0.00106 41 3S 0.00057 -0.00007 0.00047 -0.00209 -0.00211 42 3PX -0.00165 -0.00050 0.00094 -0.00147 -0.00042 43 3PY 0.00258 -0.00065 0.00069 0.00003 -0.00095 44 3PZ 0.00132 -0.00065 0.00059 -0.00143 -0.00143 45 4XX 0.00031 -0.00003 -0.00003 0.00022 -0.00034 46 4YY -0.00018 0.00009 0.00005 -0.00040 0.00018 47 4ZZ -0.00007 -0.00001 0.00002 -0.00008 -0.00012 48 4XY -0.00002 0.00020 0.00009 0.00005 -0.00001 49 4XZ -0.00015 0.00007 0.00001 -0.00001 0.00012 50 4YZ -0.00014 0.00003 -0.00002 0.00010 0.00000 51 7 B 1S -0.00085 -0.00056 0.00080 -0.00184 0.00219 52 2S 0.00134 0.00099 -0.00158 0.00314 -0.00385 53 2PX 0.00343 0.00084 0.00136 -0.00089 -0.00349 54 2PY 0.00334 -0.00249 -0.00003 -0.00448 0.00133 55 2PZ 0.00345 -0.00105 -0.00022 0.00145 -0.00168 56 3S 0.00059 0.00045 -0.00014 0.00199 -0.00220 57 3PX 0.00146 0.00010 0.00099 -0.00209 0.00079 58 3PY 0.00257 -0.00069 -0.00046 -0.00020 -0.00104 59 3PZ 0.00156 -0.00026 -0.00020 0.00124 -0.00143 60 4XX 0.00026 -0.00007 0.00008 -0.00023 -0.00029 61 4YY -0.00018 0.00020 -0.00009 0.00041 0.00016 62 4ZZ -0.00002 -0.00001 0.00001 0.00006 -0.00015 63 4XY 0.00002 -0.00017 0.00008 0.00012 0.00004 64 4XZ 0.00020 -0.00008 0.00004 -0.00003 -0.00014 65 4YZ -0.00014 -0.00002 0.00002 -0.00010 0.00002 66 8 B 1S 0.00055 -0.00144 0.00029 0.00222 -0.00169 67 2S -0.00108 0.00250 -0.00069 -0.00390 0.00287 68 2PX -0.00098 -0.00364 -0.00060 0.00011 -0.00396 69 2PY -0.00375 0.00128 0.00166 -0.00324 -0.00211 70 2PZ 0.00015 0.00034 0.00054 -0.00273 0.00188 71 3S -0.00083 0.00133 0.00038 -0.00213 0.00173 72 3PX -0.00173 -0.00041 -0.00026 -0.00172 -0.00017 73 3PY -0.00145 -0.00060 0.00062 0.00083 -0.00253 74 3PZ -0.00045 0.00033 0.00028 -0.00134 0.00089 75 4XX 0.00005 0.00024 -0.00006 0.00021 0.00037 76 4YY -0.00011 -0.00005 0.00008 -0.00028 -0.00024 77 4ZZ -0.00005 0.00003 0.00004 -0.00019 0.00006 78 4XY 0.00001 -0.00014 0.00009 0.00000 0.00015 79 4XZ -0.00004 -0.00010 0.00003 -0.00002 -0.00013 80 4YZ 0.00012 -0.00005 0.00006 -0.00019 -0.00008 81 9 B 1S 0.00055 -0.00197 -0.00003 -0.00199 -0.00167 82 2S -0.00110 0.00343 0.00024 0.00347 0.00286 83 2PX 0.00089 0.00337 -0.00094 -0.00142 0.00351 84 2PY -0.00371 0.00202 -0.00144 0.00325 -0.00249 85 2PZ 0.00031 0.00157 -0.00100 0.00289 0.00225 86 3S -0.00081 0.00184 -0.00064 0.00187 0.00161 87 3PX 0.00175 -0.00018 -0.00013 -0.00231 0.00001 88 3PY -0.00147 -0.00076 -0.00032 -0.00046 -0.00259 89 3PZ -0.00018 0.00066 -0.00046 0.00111 0.00082 90 4XX 0.00003 0.00016 0.00001 -0.00025 0.00034 91 4YY -0.00011 0.00002 -0.00006 0.00030 -0.00025 92 4ZZ -0.00003 0.00011 -0.00005 0.00016 0.00009 93 4XY -0.00004 0.00013 0.00012 -0.00006 -0.00013 94 4XZ 0.00006 0.00011 0.00002 -0.00008 0.00018 95 4YZ 0.00012 0.00002 -0.00003 0.00022 -0.00011 96 10 B 1S 0.00079 -0.00077 -0.00003 0.00014 0.00038 97 2S -0.00190 0.00199 0.00007 -0.00035 -0.00095 98 2PX 0.00017 -0.00040 0.00026 -0.00130 0.00014 99 2PY 0.00094 -0.00109 0.00007 0.00014 -0.00097 100 2PZ -0.00232 0.00306 0.00014 -0.00059 -0.00161 101 3S -0.00131 0.00142 0.00005 -0.00025 -0.00067 102 3PX -0.00007 0.00005 -0.00006 0.00027 -0.00003 103 3PY -0.00028 0.00014 -0.00002 -0.00003 0.00021 104 3PZ 0.00090 -0.00019 -0.00003 0.00012 0.00033 105 4XX -0.00030 -0.00004 -0.00001 0.00006 -0.00006 106 4YY 0.00015 0.00002 -0.00001 -0.00003 0.00016 107 4ZZ 0.00002 0.00015 0.00002 -0.00006 -0.00016 108 4XY -0.00001 0.00002 0.00009 0.00009 0.00003 109 4XZ -0.00003 -0.00006 0.00009 -0.00033 0.00002 110 4YZ 0.00016 -0.00016 0.00003 0.00002 -0.00028 111 11 H 1S 0.00096 -0.00107 -0.00004 0.00018 0.00049 112 2S 0.00282 -0.00231 -0.00009 0.00046 0.00125 113 3PX 0.00000 0.00000 0.00000 0.00001 0.00000 114 3PY -0.00001 0.00001 0.00000 0.00000 0.00000 115 3PZ 0.00003 -0.00005 0.00000 0.00001 0.00002 116 12 H 1S -0.00236 0.00353 0.00011 -0.00053 -0.00143 117 2S -0.00437 0.00456 0.00016 -0.00080 -0.00217 118 3PX -0.00001 -0.00001 0.00003 -0.00014 0.00000 119 3PY 0.00003 -0.00002 0.00001 0.00000 -0.00014 120 3PZ 0.00008 -0.00014 0.00000 0.00001 0.00002 36 37 38 39 40 36 6 B 1S 1.02091 37 2S 0.00299 0.11012 38 2PX 0.00015 -0.00758 0.12501 39 2PY 0.00014 -0.00740 0.00547 0.12475 40 2PZ 0.00004 -0.00206 0.00153 0.00149 0.11982 41 3S -0.07081 0.03074 -0.02755 -0.02689 -0.00749 42 3PX 0.00010 0.03186 0.03673 -0.02537 -0.00708 43 3PY 0.00009 0.03110 -0.02537 0.03794 -0.00691 44 3PZ 0.00003 0.00867 -0.00707 -0.00691 0.06078 45 4XX -0.00909 0.00181 -0.00543 0.00381 0.00106 46 4YY -0.00904 0.00169 0.00363 -0.00557 0.00099 47 4ZZ -0.00823 -0.00058 -0.00155 -0.00151 -0.00296 48 4XY -0.00105 0.00291 0.00138 0.00109 0.00181 49 4XZ -0.00029 0.00081 0.00038 0.00181 -0.00489 50 4YZ -0.00028 0.00079 0.00181 0.00030 -0.00477 51 7 B 1S 0.00613 -0.00904 0.02408 -0.00723 0.00034 52 2S -0.00904 0.01633 -0.04803 0.01265 -0.00103 53 2PX -0.02402 0.04793 -0.09231 0.02522 -0.00506 54 2PY -0.00672 0.01164 -0.02210 0.01171 -0.00807 55 2PZ -0.00316 0.00594 -0.01462 -0.00453 0.04145 56 3S 0.00322 0.01431 -0.02108 0.02116 0.00270 57 3PX -0.00209 0.01561 -0.01701 0.01123 -0.00014 58 3PY -0.00649 0.01038 -0.03905 0.02616 -0.00070 59 3PZ -0.00147 0.00326 -0.01030 0.00306 0.01504 60 4XX -0.00333 0.00579 -0.00486 0.00023 -0.00120 61 4YY 0.00163 -0.00282 0.00306 0.00048 0.00020 62 4ZZ 0.00043 -0.00104 -0.00107 0.00117 0.00117 63 4XY 0.00030 -0.00052 0.00148 0.00319 -0.00065 64 4XZ -0.00026 0.00048 -0.00053 -0.00083 0.00658 65 4YZ 0.00031 -0.00046 0.00107 -0.00003 0.00032 66 8 B 1S 0.00613 -0.00904 -0.00719 0.02372 0.00426 67 2S -0.00904 0.01633 0.01256 -0.04729 -0.00862 68 2PX -0.00700 0.01217 0.01061 -0.02277 -0.00706 69 2PY -0.02357 0.04703 0.02455 -0.08770 -0.02468 70 2PZ -0.00529 0.01042 0.00251 -0.02822 0.03794 71 3S 0.00322 0.01431 0.02139 -0.02086 -0.00262 72 3PX -0.00662 0.01066 0.02636 -0.03933 -0.00711 73 3PY -0.00201 0.01527 0.01096 -0.01573 -0.00543 74 3PZ -0.00090 0.00388 0.00305 -0.00919 0.01356 75 4XX 0.00168 -0.00289 0.00049 0.00317 0.00062 76 4YY -0.00321 0.00556 0.00021 -0.00427 -0.00320 77 4ZZ 0.00026 -0.00075 0.00120 -0.00173 0.00214 78 4XY 0.00026 -0.00045 0.00302 0.00139 -0.00008 79 4XZ 0.00016 -0.00026 0.00051 0.00057 0.00047 80 4YZ -0.00082 0.00150 -0.00054 -0.00198 0.00599 81 9 B 1S -0.00346 0.00996 -0.00718 -0.00701 -0.00195 82 2S 0.00996 -0.02109 0.01170 0.01142 0.00318 83 2PX 0.00718 -0.01170 -0.00905 0.02288 0.00638 84 2PY 0.00701 -0.01142 0.02288 -0.01014 0.00623 85 2PZ 0.00195 -0.00318 0.00638 0.00623 -0.03074 86 3S -0.00087 -0.01145 0.02467 0.02409 0.00673 87 3PX -0.00915 0.00853 -0.02749 0.00473 0.00132 88 3PY -0.00894 0.00833 0.00472 -0.02772 0.00129 89 3PZ -0.00249 0.00232 0.00132 0.00129 -0.03197 90 4XX 0.00002 0.00003 0.00060 -0.00105 -0.00029 91 4YY 0.00006 -0.00007 -0.00094 0.00072 -0.00026 92 4ZZ 0.00079 -0.00191 0.00168 0.00164 0.00092 93 4XY -0.00095 0.00236 -0.00242 -0.00232 -0.00092 94 4XZ -0.00026 0.00066 -0.00067 -0.00092 0.00071 95 4YZ -0.00026 0.00064 -0.00092 -0.00063 0.00070 96 10 B 1S 0.00613 -0.00904 0.00683 0.00388 0.02389 97 2S -0.00904 0.01633 -0.01461 -0.00886 -0.04665 98 2PX -0.01463 0.02820 0.00651 -0.03013 -0.05708 99 2PY -0.01277 0.02435 -0.03442 0.01432 -0.04460 100 2PZ -0.01597 0.03287 -0.02316 -0.01032 -0.05997 101 3S 0.00322 0.01431 0.00235 0.00608 -0.02928 102 3PX -0.00459 0.01288 0.00501 -0.00569 -0.03634 103 3PY -0.00488 0.01213 -0.01025 0.00939 -0.03605 104 3PZ 0.00194 0.00699 -0.00031 0.00037 0.00978 105 4XX 0.00015 -0.00041 0.00402 -0.00150 -0.00154 106 4YY 0.00055 -0.00110 -0.00089 0.00371 -0.00031 107 4ZZ -0.00197 0.00343 -0.00337 -0.00202 -0.00157 108 4XY -0.00003 0.00024 0.00094 0.00144 0.00100 109 4XZ -0.00199 0.00347 0.00142 -0.00325 -0.00289 110 4YZ -0.00167 0.00286 -0.00351 0.00249 -0.00225 111 11 H 1S 0.00252 -0.00760 0.00105 -0.00058 0.01297 112 2S 0.00621 -0.01353 0.00121 -0.00494 0.04869 113 3PX -0.00032 0.00041 0.00004 -0.00045 -0.00138 114 3PY -0.00032 0.00044 -0.00064 0.00017 -0.00128 115 3PZ -0.00002 -0.00026 0.00012 0.00023 -0.00019 116 12 H 1S 0.00252 -0.00760 0.00291 0.00445 -0.01189 117 2S 0.00621 -0.01353 0.00830 0.01423 -0.04610 118 3PX -0.00031 0.00035 -0.00011 -0.00091 0.00108 119 3PY -0.00030 0.00029 -0.00072 -0.00022 0.00113 120 3PZ -0.00015 0.00047 -0.00042 -0.00038 0.00034 41 42 43 44 45 41 3S 0.03510 42 3PX 0.00727 0.02963 43 3PY 0.00710 -0.00588 0.02990 44 3PZ 0.00199 -0.00164 -0.00161 0.03520 45 4XX 0.00130 -0.00189 0.00248 0.00069 0.00061 46 4YY 0.00133 0.00241 -0.00197 0.00066 -0.00030 47 4ZZ 0.00194 -0.00002 -0.00002 -0.00121 0.00000 48 4XY -0.00078 0.00062 0.00049 0.00085 0.00006 49 4XZ -0.00022 0.00017 0.00085 -0.00232 0.00000 50 4YZ -0.00021 0.00085 0.00013 -0.00227 -0.00009 51 7 B 1S 0.00322 0.00215 -0.00653 -0.00116 -0.00333 52 2S 0.01431 -0.01569 0.01071 0.00099 0.00578 53 2PX 0.02091 -0.01725 0.03964 0.00559 0.00484 54 2PY 0.02072 -0.01065 0.02556 0.00130 -0.00018 55 2PZ 0.00575 -0.00458 0.00506 0.01587 0.00121 56 3S 0.00756 -0.00373 0.00912 0.00156 0.00287 57 3PX 0.00366 -0.00477 0.01632 0.00250 -0.00030 58 3PY 0.00905 -0.01623 0.02075 0.00179 0.00295 59 3PZ 0.00210 -0.00408 0.00422 0.00646 0.00102 60 4XX 0.00288 0.00027 0.00310 0.00020 0.00031 61 4YY -0.00211 -0.00007 -0.00187 -0.00075 -0.00002 62 4ZZ -0.00015 -0.00060 -0.00013 0.00074 0.00007 63 4XY -0.00070 0.00046 0.00077 -0.00059 -0.00002 64 4XZ 0.00011 -0.00009 -0.00028 0.00336 0.00007 65 4YZ -0.00053 0.00008 -0.00061 0.00083 -0.00006 66 8 B 1S 0.00322 -0.00663 0.00215 -0.00006 0.00169 67 2S 0.01431 0.01079 -0.01550 -0.00232 -0.00290 68 2PX 0.02122 0.02612 -0.01093 -0.00139 0.00056 69 2PY 0.02041 0.03936 -0.01633 -0.00343 -0.00318 70 2PZ 0.00571 0.00877 -0.00719 0.01439 -0.00066 71 3S 0.00756 0.00926 -0.00373 -0.00006 -0.00220 72 3PX 0.00923 0.02127 -0.01639 -0.00216 -0.00202 73 3PY 0.00353 0.01616 -0.00441 -0.00088 0.00012 74 3PZ 0.00141 0.00442 -0.00331 0.00557 -0.00027 75 4XX -0.00219 -0.00203 -0.00003 -0.00030 0.00000 76 4YY 0.00279 0.00305 0.00041 -0.00088 -0.00005 77 4ZZ 0.00002 0.00010 -0.00078 0.00118 -0.00019 78 4XY -0.00066 0.00070 0.00049 -0.00032 -0.00015 79 4XZ -0.00032 -0.00012 -0.00007 0.00100 -0.00002 80 4YZ 0.00062 0.00049 -0.00042 0.00319 0.00006 81 9 B 1S -0.00087 0.00915 0.00894 0.00249 0.00002 82 2S -0.01145 -0.00853 -0.00833 -0.00232 0.00003 83 2PX -0.02467 -0.02749 0.00472 0.00132 -0.00060 84 2PY -0.02409 0.00473 -0.02772 0.00129 0.00105 85 2PZ -0.00672 0.00132 0.00129 -0.03197 0.00029 86 3S -0.01306 -0.00629 -0.00614 -0.00171 0.00005 87 3PX 0.00629 -0.01116 0.01237 0.00345 0.00044 88 3PY 0.00614 0.01237 -0.01175 0.00337 0.00008 89 3PZ 0.00171 0.00345 0.00337 -0.02289 0.00002 90 4XX 0.00005 -0.00044 -0.00008 -0.00002 -0.00022 91 4YY -0.00002 -0.00011 -0.00045 -0.00003 0.00028 92 4ZZ -0.00132 -0.00065 -0.00063 -0.00027 -0.00005 93 4XY 0.00166 0.00049 0.00047 0.00019 0.00005 94 4XZ 0.00046 0.00014 0.00019 -0.00015 0.00000 95 4YZ 0.00045 0.00019 0.00013 -0.00015 0.00013 96 10 B 1S 0.00322 -0.00270 -0.00342 0.00545 -0.00007 97 2S 0.01431 -0.00109 0.00130 -0.01895 -0.00003 98 2PX 0.02107 0.01919 0.00789 -0.03036 -0.00215 99 2PY 0.02060 0.00333 0.02192 -0.02663 0.00254 100 2PZ 0.00552 0.00567 0.00980 -0.01692 0.00154 101 3S 0.00756 0.00344 0.00451 -0.00822 0.00016 102 3PX 0.00673 0.00843 0.00512 -0.02032 -0.00076 103 3PY 0.00706 0.00217 0.01066 -0.02021 0.00080 104 3PZ -0.00209 0.00301 0.00336 0.00335 0.00061 105 4XX -0.00042 0.00200 -0.00167 -0.00047 -0.00014 106 4YY -0.00081 -0.00175 0.00147 0.00018 0.00003 107 4ZZ 0.00184 0.00018 0.00076 -0.00066 0.00016 108 4XY -0.00064 0.00013 0.00032 0.00046 0.00001 109 4XZ 0.00187 0.00231 0.00046 -0.00111 -0.00025 110 4YZ 0.00161 -0.00001 0.00259 -0.00082 0.00034 111 11 H 1S 0.00851 -0.00339 -0.00319 -0.00185 -0.00073 112 2S 0.00831 -0.00516 -0.00619 0.00769 -0.00079 113 3PX 0.00032 0.00029 0.00017 -0.00073 -0.00003 114 3PY 0.00027 0.00009 0.00038 -0.00066 0.00004 115 3PZ 0.00044 -0.00007 0.00001 -0.00040 -0.00003 116 12 H 1S 0.00851 -0.00352 -0.00355 -0.00003 -0.00080 117 2S 0.00831 -0.00382 -0.00258 -0.01013 -0.00145 118 3PX 0.00037 0.00016 -0.00015 0.00080 -0.00004 119 3PY 0.00041 -0.00007 0.00004 0.00082 0.00005 120 3PZ -0.00025 0.00013 0.00015 0.00008 0.00004 46 47 48 49 50 46 4YY 0.00062 47 4ZZ -0.00001 0.00035 48 4XY 0.00006 -0.00016 0.00036 49 4XZ -0.00006 0.00005 -0.00002 0.00048 50 4YZ -0.00002 0.00010 0.00002 0.00011 0.00046 51 7 B 1S 0.00164 0.00042 -0.00022 -0.00037 0.00028 52 2S -0.00284 -0.00102 0.00037 0.00066 -0.00040 53 2PX -0.00309 0.00111 0.00126 0.00108 -0.00094 54 2PY 0.00066 0.00133 -0.00317 0.00061 -0.00049 55 2PZ -0.00028 -0.00035 0.00080 -0.00660 0.00042 56 3S -0.00214 -0.00012 0.00064 0.00038 -0.00043 57 3PX 0.00012 0.00057 0.00039 0.00026 -0.00016 58 3PY -0.00184 -0.00001 -0.00080 0.00079 -0.00073 59 3PZ -0.00075 -0.00002 0.00049 -0.00328 0.00096 60 4XX -0.00004 0.00009 0.00000 0.00008 0.00000 61 4YY -0.00001 -0.00020 0.00016 -0.00004 0.00004 62 4ZZ -0.00018 0.00010 -0.00002 0.00002 -0.00009 63 4XY -0.00016 0.00005 -0.00005 0.00006 0.00000 64 4XZ 0.00006 -0.00013 0.00010 -0.00043 -0.00021 65 4YZ 0.00002 -0.00003 -0.00001 0.00024 0.00005 66 8 B 1S -0.00320 0.00025 -0.00026 0.00006 -0.00086 67 2S 0.00555 -0.00073 0.00044 -0.00008 0.00156 68 2PX -0.00006 0.00137 -0.00299 -0.00071 -0.00005 69 2PY 0.00422 0.00175 0.00133 -0.00020 0.00218 70 2PZ 0.00320 -0.00184 0.00045 0.00048 -0.00602 71 3S 0.00276 0.00005 0.00068 -0.00005 0.00071 72 3PX 0.00290 0.00023 -0.00065 -0.00040 0.00087 73 3PY -0.00049 0.00074 0.00043 -0.00018 0.00048 74 3PZ 0.00131 -0.00088 0.00007 0.00109 -0.00313 75 4XX -0.00003 -0.00021 0.00015 0.00004 0.00002 76 4YY 0.00025 0.00015 -0.00001 0.00007 0.00019 77 4ZZ 0.00013 0.00008 0.00000 -0.00011 -0.00012 78 4XY -0.00001 0.00003 -0.00003 -0.00001 -0.00003 79 4XZ -0.00009 0.00006 -0.00002 0.00003 0.00023 80 4YZ 0.00019 -0.00018 0.00008 -0.00021 -0.00037 81 9 B 1S 0.00006 0.00079 -0.00095 -0.00026 -0.00026 82 2S -0.00007 -0.00191 0.00236 0.00066 0.00064 83 2PX 0.00094 -0.00168 0.00242 0.00067 0.00092 84 2PY -0.00072 -0.00164 0.00232 0.00092 0.00063 85 2PZ 0.00026 -0.00092 0.00092 -0.00071 -0.00070 86 3S -0.00002 -0.00132 0.00166 0.00046 0.00045 87 3PX 0.00011 0.00065 -0.00049 -0.00014 -0.00019 88 3PY 0.00045 0.00063 -0.00047 -0.00019 -0.00013 89 3PZ 0.00003 0.00027 -0.00019 0.00015 0.00015 90 4XX 0.00028 -0.00005 0.00005 0.00000 0.00013 91 4YY -0.00021 -0.00007 0.00002 0.00016 -0.00003 92 4ZZ -0.00007 -0.00001 0.00009 -0.00011 -0.00006 93 4XY 0.00002 0.00009 0.00009 0.00004 0.00007 94 4XZ 0.00016 -0.00011 0.00004 0.00001 -0.00030 95 4YZ -0.00003 -0.00006 0.00007 -0.00030 0.00001 96 10 B 1S 0.00035 -0.00155 -0.00027 -0.00210 -0.00184 97 2S -0.00076 0.00271 0.00067 0.00366 0.00316 98 2PX 0.00183 0.00263 -0.00094 -0.00174 0.00401 99 2PY -0.00179 0.00143 -0.00173 0.00339 -0.00251 100 2PZ 0.00028 -0.00049 0.00070 0.00370 0.00310 101 3S -0.00030 0.00074 0.00000 0.00215 0.00206 102 3PX 0.00028 0.00127 -0.00019 -0.00068 0.00268 103 3PY -0.00069 0.00072 -0.00064 0.00282 -0.00070 104 3PZ 0.00067 -0.00158 0.00020 -0.00092 -0.00107 105 4XX 0.00008 -0.00001 -0.00007 0.00010 0.00012 106 4YY -0.00011 -0.00003 -0.00004 0.00006 0.00012 107 4ZZ 0.00002 0.00011 0.00013 0.00011 0.00002 108 4XY -0.00006 -0.00005 0.00012 0.00002 -0.00003 109 4XZ 0.00030 0.00016 -0.00006 -0.00008 0.00022 110 4YZ -0.00025 0.00009 -0.00013 0.00018 -0.00011 111 11 H 1S -0.00056 0.00202 -0.00013 -0.00058 -0.00097 112 2S -0.00010 0.00148 0.00017 -0.00296 -0.00329 113 3PX 0.00002 0.00005 -0.00002 -0.00003 0.00010 114 3PY -0.00001 0.00000 -0.00003 0.00009 -0.00003 115 3PZ -0.00004 0.00011 -0.00003 0.00002 -0.00001 116 12 H 1S -0.00075 0.00228 -0.00029 -0.00003 -0.00044 117 2S -0.00185 0.00389 -0.00124 0.00205 0.00141 118 3PX 0.00008 0.00000 -0.00001 0.00001 -0.00009 119 3PY -0.00004 0.00003 0.00000 -0.00010 0.00000 120 3PZ 0.00002 -0.00008 0.00001 0.00001 0.00004 51 52 53 54 55 51 7 B 1S 1.02091 52 2S 0.00299 0.11012 53 2PX -0.00015 0.00764 0.12510 54 2PY 0.00015 -0.00756 -0.00564 0.12498 55 2PZ 0.00002 -0.00096 -0.00071 0.00071 0.11949 56 3S -0.07081 0.03074 0.02776 -0.02747 -0.00348 57 3PX -0.00010 -0.03212 0.03630 0.02613 0.00330 58 3PY 0.00010 0.03178 0.02613 0.03686 -0.00327 59 3PZ 0.00001 0.00402 0.00331 -0.00327 0.06230 60 4XX -0.00910 0.00186 0.00538 0.00399 0.00051 61 4YY -0.00908 0.00180 -0.00391 -0.00545 0.00049 62 4ZZ -0.00817 -0.00073 0.00191 -0.00189 -0.00142 63 4XY 0.00108 -0.00300 0.00152 -0.00139 -0.00086 64 4XZ 0.00014 -0.00038 0.00019 -0.00086 0.00532 65 4YZ -0.00013 0.00038 -0.00086 0.00017 -0.00527 66 8 B 1S -0.00346 0.00996 0.00724 -0.00716 -0.00091 67 2S 0.00996 -0.02109 -0.01180 0.01167 0.00148 68 2PX -0.00724 0.01180 -0.00866 -0.02356 -0.00298 69 2PY 0.00716 -0.01167 -0.02356 -0.00917 0.00295 70 2PZ 0.00091 -0.00148 -0.00298 0.00295 -0.03211 71 3S -0.00087 -0.01145 -0.02488 0.02461 0.00311 72 3PX 0.00923 -0.00860 -0.02741 -0.00487 -0.00061 73 3PY -0.00913 0.00851 -0.00487 -0.02752 0.00061 74 3PZ -0.00116 0.00108 -0.00062 0.00061 -0.03226 75 4XX 0.00000 0.00006 -0.00055 -0.00113 -0.00014 76 4YY 0.00002 0.00001 0.00107 0.00061 -0.00013 77 4ZZ 0.00084 -0.00204 -0.00187 0.00185 0.00045 78 4XY 0.00098 -0.00243 -0.00253 0.00248 0.00044 79 4XZ 0.00012 -0.00031 -0.00032 0.00044 -0.00092 80 4YZ -0.00012 0.00030 0.00044 -0.00031 0.00091 81 9 B 1S 0.00613 -0.00904 0.00700 0.02357 0.00529 82 2S -0.00904 0.01633 -0.01217 -0.04703 -0.01042 83 2PX 0.00719 -0.01256 0.01061 0.02455 0.00251 84 2PY -0.02372 0.04729 -0.02277 -0.08770 -0.02822 85 2PZ -0.00426 0.00862 -0.00706 -0.02468 0.03794 86 3S 0.00322 0.01431 -0.02122 -0.02041 -0.00571 87 3PX 0.00663 -0.01079 0.02612 0.03936 0.00878 88 3PY -0.00215 0.01549 -0.01092 -0.01633 -0.00719 89 3PZ 0.00006 0.00233 -0.00139 -0.00343 0.01439 90 4XX 0.00169 -0.00290 -0.00056 0.00318 0.00066 91 4YY -0.00320 0.00555 0.00006 -0.00422 -0.00320 92 4ZZ 0.00025 -0.00073 -0.00137 -0.00175 0.00184 93 4XY -0.00026 0.00044 0.00299 -0.00133 -0.00045 94 4XZ 0.00006 -0.00008 0.00071 0.00020 -0.00048 95 4YZ -0.00086 0.00156 0.00005 -0.00218 0.00602 96 10 B 1S 0.00613 -0.00904 -0.01013 0.00406 0.02265 97 2S -0.00904 0.01633 0.02101 -0.00924 -0.04406 98 2PX 0.01652 -0.03214 -0.00485 0.03160 0.06412 99 2PY -0.01310 0.02498 0.04086 0.01288 -0.04041 100 2PZ -0.01371 0.02848 0.03093 -0.00641 -0.04717 101 3S 0.00322 0.01431 0.00204 0.00608 -0.02930 102 3PX 0.00416 -0.01350 0.00031 0.00571 0.03418 103 3PY -0.00497 0.01241 0.01555 0.00900 -0.03492 104 3PZ 0.00257 0.00507 -0.00109 0.00121 0.01488 105 4XX -0.00037 0.00051 -0.00388 -0.00230 -0.00286 106 4YY 0.00055 -0.00108 0.00098 0.00375 -0.00015 107 4ZZ -0.00144 0.00250 0.00364 -0.00128 -0.00034 108 4XY 0.00029 -0.00069 0.00060 -0.00166 -0.00054 109 4XZ 0.00222 -0.00390 -0.00011 0.00324 0.00273 110 4YZ -0.00169 0.00287 0.00396 0.00211 -0.00188 111 11 H 1S 0.00252 -0.00760 -0.00293 -0.00053 0.01268 112 2S 0.00621 -0.01353 -0.00834 -0.00484 0.04800 113 3PX 0.00031 -0.00035 -0.00012 0.00041 0.00136 114 3PY -0.00033 0.00045 0.00082 0.00015 -0.00121 115 3PZ 0.00003 -0.00032 -0.00011 0.00029 -0.00001 116 12 H 1S 0.00252 -0.00760 -0.00107 0.00449 -0.01218 117 2S 0.00621 -0.01353 -0.00125 0.01433 -0.04679 118 3PX 0.00033 -0.00041 0.00003 0.00095 -0.00110 119 3PY -0.00030 0.00030 0.00054 -0.00025 0.00125 120 3PZ -0.00011 0.00042 0.00036 -0.00025 0.00024 56 57 58 59 60 56 3S 0.03510 57 3PX -0.00734 0.02952 58 3PY 0.00725 0.00606 0.02965 59 3PZ 0.00091 0.00077 -0.00076 0.03555 60 4XX 0.00129 0.00186 0.00258 0.00033 0.00061 61 4YY 0.00131 -0.00255 -0.00190 0.00032 -0.00031 62 4ZZ 0.00198 0.00018 -0.00018 -0.00058 0.00000 63 4XY 0.00080 0.00069 -0.00062 -0.00041 -0.00005 64 4XZ 0.00010 0.00009 -0.00041 0.00253 -0.00002 65 4YZ -0.00010 -0.00041 0.00008 -0.00250 -0.00006 66 8 B 1S -0.00087 -0.00923 0.00913 0.00116 0.00000 67 2S -0.01145 0.00860 -0.00851 -0.00108 0.00006 68 2PX 0.02488 -0.02741 -0.00487 -0.00062 0.00055 69 2PY -0.02461 -0.00487 -0.02752 0.00061 0.00113 70 2PZ -0.00311 -0.00061 0.00061 -0.03226 0.00014 71 3S -0.01306 0.00634 -0.00627 -0.00080 0.00007 72 3PX -0.00634 -0.01094 -0.01274 -0.00161 -0.00043 73 3PY 0.00627 -0.01274 -0.01122 0.00159 0.00007 74 3PZ 0.00080 -0.00161 0.00159 -0.02363 0.00001 75 4XX 0.00007 0.00043 -0.00007 -0.00001 -0.00022 76 4YY 0.00004 0.00008 -0.00044 -0.00001 0.00031 77 4ZZ -0.00140 0.00069 -0.00068 -0.00013 -0.00008 78 4XY -0.00171 0.00051 -0.00050 -0.00009 -0.00005 79 4XZ -0.00022 0.00006 -0.00009 0.00020 -0.00002 80 4YZ 0.00021 -0.00009 0.00006 -0.00019 0.00004 81 9 B 1S 0.00322 0.00662 0.00201 0.00090 0.00168 82 2S 0.01431 -0.01066 -0.01527 -0.00389 -0.00289 83 2PX -0.02139 0.02636 0.01096 0.00305 -0.00049 84 2PY 0.02086 -0.03933 -0.01573 -0.00919 -0.00317 85 2PZ 0.00262 -0.00712 -0.00543 0.01356 -0.00062 86 3S 0.00756 -0.00923 -0.00353 -0.00140 -0.00219 87 3PX -0.00926 0.02127 0.01616 0.00442 0.00203 88 3PY 0.00373 -0.01639 -0.00441 -0.00331 0.00003 89 3PZ 0.00006 -0.00216 -0.00088 0.00557 0.00030 90 4XX -0.00220 0.00202 -0.00012 0.00027 0.00000 91 4YY 0.00276 -0.00290 0.00049 -0.00131 -0.00003 92 4ZZ 0.00005 -0.00023 -0.00074 0.00088 -0.00021 93 4XY 0.00068 0.00065 -0.00043 -0.00007 0.00015 94 4XZ -0.00005 0.00040 0.00018 -0.00109 0.00004 95 4YZ 0.00071 -0.00087 -0.00048 0.00313 0.00002 96 10 B 1S 0.00322 0.00181 -0.00346 0.00578 -0.00060 97 2S 0.01431 0.00384 0.00125 -0.01859 0.00090 98 2PX -0.02122 0.01472 -0.00912 0.03443 0.00217 99 2PY 0.02106 0.00072 0.02212 -0.02750 0.00338 100 2PZ 0.00245 -0.00084 0.00862 -0.01266 0.00270 101 3S 0.00756 -0.00211 0.00457 -0.00862 0.00070 102 3PX -0.00621 0.00575 -0.00548 0.02025 0.00087 103 3PY 0.00721 0.00089 0.01078 -0.02074 0.00151 104 3PZ -0.00303 -0.00258 0.00265 0.00591 0.00047 105 4XX 0.00011 -0.00242 -0.00148 -0.00113 -0.00016 106 4YY -0.00083 0.00173 0.00145 0.00045 0.00005 107 4ZZ 0.00133 0.00041 0.00060 -0.00033 0.00024 108 4XY 0.00038 0.00026 -0.00062 -0.00028 -0.00006 109 4XZ -0.00213 0.00172 -0.00083 0.00134 0.00021 110 4YZ 0.00173 0.00017 0.00253 -0.00089 0.00037 111 11 H 1S 0.00851 0.00355 -0.00326 -0.00135 -0.00080 112 2S 0.00831 0.00386 -0.00628 0.00834 -0.00146 113 3PX -0.00037 0.00016 -0.00017 0.00080 0.00004 114 3PY 0.00027 0.00001 0.00039 -0.00068 0.00007 115 3PZ 0.00039 0.00015 -0.00002 -0.00027 -0.00002 116 12 H 1S 0.00851 0.00341 -0.00363 0.00047 -0.00073 117 2S 0.00831 0.00519 -0.00268 -0.00948 -0.00079 118 3PX -0.00032 0.00029 0.00013 -0.00075 0.00003 119 3PY 0.00041 -0.00005 0.00003 0.00084 0.00003 120 3PZ -0.00030 -0.00010 0.00017 -0.00005 0.00005 61 62 63 64 65 61 4YY 0.00062 62 4ZZ 0.00000 0.00034 63 4XY -0.00005 0.00014 0.00036 64 4XZ 0.00001 0.00002 -0.00003 0.00047 65 4YZ -0.00003 0.00009 -0.00003 -0.00015 0.00046 66 8 B 1S 0.00002 0.00084 0.00098 0.00012 -0.00012 67 2S 0.00001 -0.00204 -0.00243 -0.00031 0.00030 68 2PX -0.00107 0.00187 0.00253 0.00032 -0.00044 69 2PY -0.00061 -0.00185 -0.00248 -0.00044 0.00031 70 2PZ 0.00013 -0.00045 -0.00044 0.00092 -0.00091 71 3S 0.00004 -0.00140 -0.00171 -0.00022 0.00021 72 3PX -0.00008 -0.00069 -0.00051 -0.00006 0.00009 73 3PY 0.00044 0.00068 0.00050 0.00009 -0.00006 74 3PZ 0.00001 0.00013 0.00009 -0.00019 0.00019 75 4XX 0.00031 -0.00008 -0.00005 -0.00002 0.00004 76 4YY -0.00021 -0.00010 -0.00004 -0.00010 -0.00003 77 4ZZ -0.00010 0.00004 -0.00008 0.00010 0.00001 78 4XY -0.00004 -0.00008 0.00011 0.00000 -0.00006 79 4XZ -0.00010 0.00010 0.00000 -0.00001 0.00033 80 4YZ -0.00003 0.00001 -0.00006 0.00033 -0.00002 81 9 B 1S -0.00321 0.00026 0.00026 0.00016 -0.00082 82 2S 0.00556 -0.00075 -0.00045 -0.00026 0.00150 83 2PX -0.00021 -0.00120 -0.00302 -0.00051 0.00054 84 2PY 0.00427 0.00173 -0.00139 -0.00057 0.00198 85 2PZ 0.00320 -0.00214 0.00008 -0.00047 -0.00599 86 3S 0.00279 0.00002 -0.00066 -0.00032 0.00062 87 3PX -0.00305 -0.00010 -0.00070 0.00012 -0.00049 88 3PY -0.00041 0.00078 -0.00049 0.00007 0.00042 89 3PZ 0.00088 -0.00118 0.00032 -0.00100 -0.00319 90 4XX -0.00005 -0.00019 -0.00015 -0.00002 0.00006 91 4YY 0.00025 0.00013 -0.00001 -0.00009 0.00019 92 4ZZ 0.00015 0.00008 0.00003 0.00006 -0.00018 93 4XY -0.00001 0.00000 -0.00003 -0.00002 0.00008 94 4XZ 0.00007 -0.00011 -0.00001 0.00003 -0.00021 95 4YZ 0.00019 -0.00012 -0.00003 0.00023 -0.00037 96 10 B 1S 0.00034 -0.00100 0.00056 0.00222 -0.00182 97 2S -0.00072 0.00175 -0.00115 -0.00390 0.00311 98 2PX -0.00187 -0.00274 -0.00023 -0.00057 -0.00452 99 2PY -0.00182 0.00067 0.00196 -0.00309 -0.00208 100 2PZ 0.00004 -0.00177 -0.00124 -0.00326 0.00241 101 3S -0.00029 0.00020 -0.00032 -0.00211 0.00208 102 3PX -0.00039 -0.00120 0.00019 -0.00060 -0.00249 103 3PY -0.00071 0.00005 0.00068 -0.00269 -0.00049 104 3PZ 0.00063 -0.00150 -0.00001 0.00114 -0.00149 105 4XX 0.00016 0.00001 0.00006 -0.00011 0.00019 106 4YY -0.00011 -0.00005 0.00001 -0.00004 0.00012 107 4ZZ -0.00005 0.00003 -0.00014 -0.00010 -0.00005 108 4XY 0.00008 0.00004 0.00009 0.00003 0.00006 109 4XZ -0.00028 -0.00019 0.00000 -0.00002 -0.00019 110 4YZ -0.00024 0.00006 0.00015 -0.00013 -0.00008 111 11 H 1S -0.00057 0.00210 0.00028 0.00009 -0.00094 112 2S -0.00011 0.00216 0.00034 0.00239 -0.00334 113 3PX -0.00001 -0.00007 -0.00001 -0.00002 -0.00009 114 3PY -0.00001 -0.00002 0.00003 -0.00008 -0.00003 115 3PZ -0.00004 0.00009 0.00003 -0.00004 -0.00002 116 12 H 1S -0.00077 0.00223 0.00035 -0.00049 -0.00039 117 2S -0.00189 0.00327 0.00100 -0.00281 0.00163 118 3PX -0.00008 0.00002 -0.00003 0.00002 0.00008 119 3PY -0.00004 0.00006 0.00000 0.00010 0.00000 120 3PZ 0.00001 -0.00008 -0.00002 0.00001 0.00005 66 67 68 69 70 66 8 B 1S 1.02091 67 2S 0.00299 0.11012 68 2PX 0.00015 -0.00764 0.12510 69 2PY -0.00015 0.00756 -0.00564 0.12498 70 2PZ -0.00002 0.00096 -0.00071 0.00071 0.11949 71 3S -0.07081 0.03074 -0.02776 0.02747 0.00348 72 3PX 0.00010 0.03212 0.03630 0.02613 0.00331 73 3PY -0.00010 -0.03178 0.02613 0.03686 -0.00327 74 3PZ -0.00001 -0.00402 0.00331 -0.00327 0.06230 75 4XX -0.00910 0.00186 -0.00538 -0.00399 -0.00051 76 4YY -0.00908 0.00180 0.00391 0.00545 -0.00049 77 4ZZ -0.00817 -0.00073 -0.00191 0.00189 0.00142 78 4XY 0.00108 -0.00300 -0.00152 0.00139 0.00086 79 4XZ 0.00014 -0.00038 -0.00019 0.00086 -0.00532 80 4YZ -0.00013 0.00038 0.00086 -0.00017 0.00527 81 9 B 1S 0.00613 -0.00904 0.02402 0.00672 0.00316 82 2S -0.00904 0.01633 -0.04793 -0.01164 -0.00594 83 2PX -0.02408 0.04803 -0.09231 -0.02210 -0.01462 84 2PY 0.00723 -0.01265 0.02522 0.01171 -0.00453 85 2PZ -0.00034 0.00103 -0.00506 -0.00807 0.04145 86 3S 0.00322 0.01431 -0.02091 -0.02072 -0.00575 87 3PX -0.00215 0.01569 -0.01725 -0.01065 -0.00458 88 3PY 0.00653 -0.01071 0.03964 0.02556 0.00506 89 3PZ 0.00116 -0.00099 0.00559 0.00130 0.01587 90 4XX -0.00333 0.00578 -0.00484 0.00018 -0.00121 91 4YY 0.00164 -0.00284 0.00309 -0.00066 0.00028 92 4ZZ 0.00042 -0.00102 -0.00111 -0.00133 0.00035 93 4XY -0.00022 0.00037 -0.00126 0.00317 -0.00080 94 4XZ -0.00037 0.00066 -0.00108 -0.00061 0.00660 95 4YZ 0.00028 -0.00040 0.00094 0.00049 -0.00042 96 10 B 1S 0.00613 -0.00904 0.00690 -0.01279 0.02052 97 2S -0.00904 0.01633 -0.01476 0.02615 -0.03958 98 2PX -0.01476 0.02845 0.00587 0.05004 -0.04136 99 2PY 0.01785 -0.03496 0.04078 -0.01577 0.06263 100 2PZ -0.00979 0.02090 -0.00817 0.02863 -0.02924 101 3S 0.00322 0.01431 0.00235 0.00578 -0.02934 102 3PX -0.00462 0.01299 0.00482 0.01941 -0.03156 103 3PY 0.00371 -0.01379 0.00958 -0.00308 0.03031 104 3PZ 0.00367 0.00176 0.00371 -0.00582 0.02243 105 4XX 0.00015 -0.00040 0.00403 0.00200 -0.00083 106 4YY -0.00085 0.00134 -0.00343 -0.00334 -0.00345 107 4ZZ -0.00056 0.00099 -0.00084 0.00249 0.00105 108 4XY 0.00080 -0.00158 -0.00136 0.00003 0.00022 109 4XZ -0.00184 0.00314 0.00089 0.00448 -0.00145 110 4YZ 0.00219 -0.00385 0.00349 -0.00133 0.00168 111 11 H 1S 0.00252 -0.00760 0.00107 -0.00449 0.01218 112 2S 0.00621 -0.01353 0.00125 -0.01433 0.04679 113 3PX -0.00033 0.00041 0.00003 0.00095 -0.00110 114 3PY 0.00030 -0.00030 0.00054 -0.00025 0.00125 115 3PZ 0.00011 -0.00042 0.00036 -0.00025 0.00024 116 12 H 1S 0.00252 -0.00760 0.00293 0.00053 -0.01268 117 2S 0.00621 -0.01353 0.00834 0.00484 -0.04800 118 3PX -0.00031 0.00035 -0.00012 0.00041 0.00136 119 3PY 0.00033 -0.00045 0.00082 0.00015 -0.00121 120 3PZ -0.00003 0.00032 -0.00011 0.00029 -0.00001 71 72 73 74 75 71 3S 0.03510 72 3PX 0.00734 0.02952 73 3PY -0.00725 0.00606 0.02965 74 3PZ -0.00092 0.00077 -0.00076 0.03555 75 4XX 0.00129 -0.00186 -0.00258 -0.00033 0.00061 76 4YY 0.00131 0.00255 0.00190 -0.00032 -0.00031 77 4ZZ 0.00198 -0.00018 0.00018 0.00058 0.00000 78 4XY 0.00080 -0.00069 0.00062 0.00041 -0.00005 79 4XZ 0.00010 -0.00009 0.00041 -0.00253 -0.00002 80 4YZ -0.00010 0.00041 -0.00008 0.00250 -0.00006 81 9 B 1S 0.00322 0.00209 0.00649 0.00147 -0.00333 82 2S 0.01431 -0.01561 -0.01038 -0.00327 0.00579 83 2PX 0.02108 -0.01701 -0.03905 -0.01030 0.00486 84 2PY -0.02116 0.01123 0.02616 0.00306 -0.00023 85 2PZ -0.00270 -0.00014 -0.00070 0.01504 0.00120 86 3S 0.00756 -0.00366 -0.00905 -0.00210 0.00288 87 3PX 0.00373 -0.00477 -0.01623 -0.00408 -0.00027 88 3PY -0.00912 0.01632 0.02074 0.00422 -0.00310 89 3PZ -0.00156 0.00250 0.00179 0.00646 -0.00020 90 4XX 0.00287 0.00030 -0.00295 -0.00102 0.00031 91 4YY -0.00214 -0.00012 0.00184 0.00075 -0.00004 92 4ZZ -0.00012 -0.00057 0.00001 0.00002 0.00009 93 4XY 0.00064 -0.00039 0.00080 -0.00049 0.00000 94 4XZ 0.00038 -0.00026 -0.00079 0.00328 0.00008 95 4YZ -0.00043 0.00016 0.00073 -0.00096 0.00000 96 10 B 1S 0.00322 -0.00271 0.00101 0.00634 -0.00008 97 2S 0.01431 -0.00111 0.00614 -0.01797 -0.00001 98 2PX 0.02125 0.01923 0.00458 -0.03131 -0.00215 99 2PY -0.02096 -0.00525 0.01005 0.03772 -0.00294 100 2PZ -0.00287 0.00396 0.00160 -0.00510 0.00045 101 3S 0.00756 0.00346 -0.00094 -0.00932 0.00017 102 3PX 0.00678 0.00846 0.00321 -0.02088 -0.00076 103 3PY -0.00565 -0.00315 0.00353 0.02012 -0.00098 104 3PZ -0.00466 0.00195 -0.00326 0.01044 0.00025 105 4XX -0.00042 0.00200 0.00173 0.00022 -0.00014 106 4YY 0.00059 -0.00146 -0.00257 -0.00156 0.00026 107 4ZZ 0.00045 -0.00010 0.00069 0.00026 -0.00007 108 4XY -0.00014 -0.00099 0.00046 0.00020 0.00008 109 4XZ 0.00199 0.00209 0.00020 -0.00124 -0.00023 110 4YZ -0.00220 -0.00079 0.00104 0.00143 -0.00029 111 11 H 1S 0.00851 -0.00341 0.00363 -0.00047 -0.00073 112 2S 0.00831 -0.00519 0.00268 0.00948 -0.00079 113 3PX 0.00032 0.00029 0.00013 -0.00075 -0.00003 114 3PY -0.00041 -0.00005 0.00003 0.00084 -0.00003 115 3PZ 0.00030 -0.00010 0.00017 -0.00005 -0.00005 116 12 H 1S 0.00851 -0.00355 0.00326 0.00135 -0.00080 117 2S 0.00831 -0.00386 0.00628 -0.00834 -0.00146 118 3PX 0.00037 0.00016 -0.00017 0.00080 -0.00004 119 3PY -0.00027 0.00001 0.00039 -0.00068 -0.00007 120 3PZ -0.00039 0.00015 -0.00002 -0.00027 0.00002 76 77 78 79 80 76 4YY 0.00062 77 4ZZ 0.00000 0.00034 78 4XY -0.00005 0.00014 0.00036 79 4XZ 0.00001 0.00002 -0.00003 0.00047 80 4YZ -0.00003 0.00009 -0.00003 -0.00015 0.00046 81 9 B 1S 0.00163 0.00043 0.00030 -0.00026 0.00031 82 2S -0.00282 -0.00104 -0.00052 0.00048 -0.00046 83 2PX -0.00306 0.00107 -0.00148 0.00053 -0.00107 84 2PY -0.00048 -0.00117 -0.00319 0.00083 0.00003 85 2PZ -0.00020 -0.00117 0.00065 -0.00658 -0.00032 86 3S -0.00211 -0.00015 -0.00070 0.00011 -0.00053 87 3PX 0.00007 0.00060 -0.00046 0.00009 -0.00008 88 3PY 0.00187 0.00013 -0.00077 0.00028 0.00061 89 3PZ 0.00075 -0.00074 0.00059 -0.00336 -0.00083 90 4XX -0.00002 0.00007 -0.00002 0.00007 -0.00006 91 4YY -0.00001 -0.00018 -0.00016 0.00006 0.00002 92 4ZZ -0.00020 0.00010 0.00005 -0.00013 -0.00003 93 4XY 0.00016 -0.00002 -0.00005 0.00010 -0.00001 94 4XZ -0.00004 0.00002 0.00006 -0.00043 0.00024 95 4YZ 0.00004 -0.00009 0.00000 -0.00021 0.00005 96 10 B 1S -0.00106 -0.00013 0.00107 -0.00185 0.00206 97 2S 0.00169 0.00024 -0.00204 0.00314 -0.00362 98 2PX 0.00444 0.00004 0.00148 -0.00119 -0.00314 99 2PY 0.00188 -0.00143 0.00052 -0.00473 0.00026 100 2PZ 0.00301 -0.00308 -0.00205 0.00144 -0.00187 101 3S 0.00112 -0.00068 -0.00084 0.00200 -0.00185 102 3PX 0.00209 -0.00054 0.00042 -0.00052 -0.00228 103 3PY 0.00099 -0.00065 0.00038 -0.00227 -0.00060 104 3PZ 0.00006 -0.00090 0.00035 -0.00197 0.00156 105 4XX 0.00015 -0.00007 0.00002 0.00012 -0.00005 106 4YY -0.00018 -0.00002 0.00002 0.00020 -0.00014 107 4ZZ 0.00020 -0.00001 -0.00017 -0.00008 -0.00002 108 4XY -0.00009 0.00001 0.00008 0.00004 0.00002 109 4XZ 0.00041 0.00006 0.00012 -0.00003 -0.00010 110 4YZ 0.00016 -0.00015 0.00004 -0.00014 0.00002 111 11 H 1S -0.00077 0.00223 0.00035 -0.00049 -0.00039 112 2S -0.00189 0.00327 0.00100 -0.00281 0.00163 113 3PX 0.00008 -0.00002 0.00003 -0.00002 -0.00008 114 3PY 0.00004 -0.00006 0.00000 -0.00010 0.00000 115 3PZ -0.00001 0.00008 0.00002 -0.00001 -0.00005 116 12 H 1S -0.00057 0.00210 0.00028 0.00009 -0.00094 117 2S -0.00011 0.00216 0.00034 0.00239 -0.00334 118 3PX 0.00001 0.00007 0.00001 0.00002 0.00009 119 3PY 0.00001 0.00002 -0.00003 0.00008 0.00003 120 3PZ 0.00004 -0.00009 -0.00003 0.00004 0.00002 81 82 83 84 85 81 9 B 1S 1.02091 82 2S 0.00299 0.11012 83 2PX -0.00015 0.00758 0.12501 84 2PY -0.00014 0.00740 0.00547 0.12475 85 2PZ -0.00004 0.00206 0.00153 0.00149 0.11982 86 3S -0.07081 0.03074 0.02755 0.02689 0.00749 87 3PX -0.00010 -0.03186 0.03673 -0.02537 -0.00708 88 3PY -0.00009 -0.03110 -0.02537 0.03794 -0.00691 89 3PZ -0.00003 -0.00867 -0.00707 -0.00691 0.06078 90 4XX -0.00909 0.00181 0.00543 -0.00381 -0.00106 91 4YY -0.00904 0.00169 -0.00363 0.00557 -0.00099 92 4ZZ -0.00823 -0.00058 0.00155 0.00151 0.00296 93 4XY -0.00105 0.00291 -0.00138 -0.00109 -0.00181 94 4XZ -0.00029 0.00081 -0.00038 -0.00181 0.00489 95 4YZ -0.00028 0.00079 -0.00181 -0.00030 0.00477 96 10 B 1S 0.00613 -0.00904 -0.01006 -0.01261 0.01929 97 2S -0.00904 0.01633 0.02087 0.02578 -0.03700 98 2PX 0.01639 -0.03190 -0.00412 -0.05397 0.04643 99 2PY 0.01752 -0.03433 -0.04968 -0.01372 0.05513 100 2PZ -0.00753 0.01651 0.01252 0.02085 -0.02130 101 3S 0.00322 0.01431 0.00204 0.00577 -0.02935 102 3PX 0.00412 -0.01339 0.00053 -0.01849 0.02902 103 3PY 0.00362 -0.01351 -0.01393 -0.00243 0.02795 104 3PZ 0.00431 -0.00016 -0.00702 -0.00847 0.02609 105 4XX -0.00036 0.00049 -0.00389 0.00321 -0.00175 106 4YY -0.00081 0.00127 0.00385 -0.00341 -0.00291 107 4ZZ -0.00009 0.00017 0.00077 0.00135 0.00150 108 4XY -0.00113 0.00215 -0.00057 0.00003 -0.00061 109 4XZ 0.00192 -0.00330 -0.00028 -0.00439 0.00109 110 4YZ 0.00201 -0.00351 -0.00386 -0.00116 0.00106 111 11 H 1S 0.00252 -0.00760 -0.00291 -0.00445 0.01189 112 2S 0.00621 -0.01353 -0.00830 -0.01423 0.04610 113 3PX 0.00031 -0.00035 -0.00011 -0.00091 0.00108 114 3PY 0.00030 -0.00029 -0.00072 -0.00022 0.00113 115 3PZ 0.00015 -0.00047 -0.00042 -0.00038 0.00034 116 12 H 1S 0.00252 -0.00760 -0.00105 0.00058 -0.01297 117 2S 0.00621 -0.01353 -0.00121 0.00494 -0.04869 118 3PX 0.00032 -0.00041 0.00004 -0.00045 -0.00138 119 3PY 0.00032 -0.00044 -0.00064 0.00017 -0.00128 120 3PZ 0.00002 0.00026 0.00012 0.00023 -0.00019 86 87 88 89 90 86 3S 0.03510 87 3PX -0.00727 0.02963 88 3PY -0.00710 -0.00588 0.02990 89 3PZ -0.00199 -0.00164 -0.00161 0.03520 90 4XX 0.00130 0.00189 -0.00248 -0.00069 0.00061 91 4YY 0.00133 -0.00241 0.00197 -0.00066 -0.00030 92 4ZZ 0.00194 0.00002 0.00002 0.00121 0.00000 93 4XY -0.00078 -0.00062 -0.00049 -0.00085 0.00006 94 4XZ -0.00022 -0.00017 -0.00085 0.00232 0.00000 95 4YZ -0.00021 -0.00085 -0.00013 0.00227 -0.00009 96 10 B 1S 0.00322 0.00179 0.00097 0.00667 -0.00059 97 2S 0.01431 0.00382 0.00609 -0.01761 0.00087 98 2PX -0.02105 0.01470 -0.00492 0.03500 0.00220 99 2PY -0.02053 -0.00036 0.01009 0.03738 -0.00415 100 2PZ -0.00595 -0.00104 0.00095 -0.00062 0.00116 101 3S 0.00755 -0.00209 -0.00088 -0.00971 0.00069 102 3PX -0.00616 0.00574 -0.00279 0.02061 0.00088 103 3PY -0.00552 0.00017 0.00356 0.01992 -0.00157 104 3PZ -0.00560 -0.00271 -0.00365 0.01314 -0.00015 105 4XX 0.00011 -0.00243 0.00179 -0.00046 -0.00016 106 4YY 0.00057 0.00165 -0.00258 -0.00132 0.00031 107 4ZZ -0.00007 0.00050 0.00065 0.00065 -0.00003 108 4XY 0.00047 -0.00094 -0.00069 -0.00059 -0.00003 109 4XZ -0.00209 0.00147 -0.00003 0.00143 0.00022 110 4YZ -0.00211 0.00042 0.00095 0.00143 -0.00034 111 11 H 1S 0.00851 0.00352 0.00355 0.00003 -0.00080 112 2S 0.00831 0.00382 0.00258 0.01013 -0.00145 113 3PX -0.00037 0.00016 -0.00015 0.00080 0.00004 114 3PY -0.00041 -0.00007 0.00004 0.00082 -0.00005 115 3PZ 0.00025 0.00013 0.00015 0.00008 -0.00004 116 12 H 1S 0.00851 0.00338 0.00319 0.00185 -0.00073 117 2S 0.00831 0.00515 0.00618 -0.00769 -0.00079 118 3PX -0.00032 0.00029 0.00017 -0.00073 0.00003 119 3PY -0.00027 0.00009 0.00038 -0.00066 -0.00004 120 3PZ -0.00044 -0.00007 0.00001 -0.00040 0.00003 91 92 93 94 95 91 4YY 0.00062 92 4ZZ -0.00001 0.00035 93 4XY 0.00006 -0.00016 0.00036 94 4XZ -0.00006 0.00005 -0.00002 0.00048 95 4YZ -0.00002 0.00010 0.00002 0.00011 0.00046 96 10 B 1S -0.00101 0.00033 -0.00137 0.00181 0.00184 97 2S 0.00161 -0.00055 0.00257 -0.00312 -0.00322 98 2PX -0.00481 0.00020 0.00049 -0.00049 0.00352 99 2PY 0.00199 -0.00029 -0.00042 0.00430 0.00003 100 2PZ 0.00225 -0.00337 0.00245 -0.00091 -0.00103 101 3S 0.00109 -0.00116 0.00111 -0.00181 -0.00167 102 3PX -0.00206 0.00047 0.00009 -0.00067 0.00207 103 3PY 0.00104 -0.00011 -0.00023 0.00212 -0.00074 104 3PZ -0.00023 -0.00032 -0.00056 0.00203 0.00177 105 4XX 0.00025 -0.00009 -0.00002 -0.00013 -0.00007 106 4YY -0.00018 -0.00007 -0.00002 -0.00015 -0.00014 107 4ZZ 0.00009 -0.00001 0.00020 0.00007 0.00003 108 4XY 0.00005 0.00002 0.00009 0.00001 -0.00002 109 4XZ -0.00040 -0.00008 0.00005 -0.00001 0.00010 110 4YZ 0.00018 -0.00012 -0.00001 0.00012 0.00000 111 11 H 1S -0.00075 0.00228 -0.00029 -0.00003 -0.00044 112 2S -0.00185 0.00389 -0.00124 0.00205 0.00141 113 3PX -0.00008 0.00000 0.00001 -0.00001 0.00009 114 3PY 0.00004 -0.00003 0.00000 0.00010 0.00000 115 3PZ -0.00002 0.00008 -0.00001 -0.00001 -0.00004 116 12 H 1S -0.00056 0.00202 -0.00013 -0.00058 -0.00097 117 2S -0.00010 0.00148 0.00017 -0.00296 -0.00329 118 3PX -0.00002 -0.00005 0.00002 0.00003 -0.00010 119 3PY 0.00001 0.00000 0.00003 -0.00009 0.00003 120 3PZ 0.00004 -0.00011 0.00003 -0.00002 0.00001 96 97 98 99 100 96 10 B 1S 1.02091 97 2S 0.00299 0.11012 98 2PX 0.00002 -0.00079 0.11946 99 2PY 0.00004 -0.00213 0.00017 0.11985 100 2PZ -0.00020 0.01055 -0.00081 -0.00220 0.13026 101 3S -0.07081 0.03074 -0.00286 -0.00775 0.03833 102 3PX 0.00001 0.00332 0.06243 -0.00076 0.00377 103 3PY 0.00003 0.00896 -0.00076 0.06065 0.01018 104 3PZ -0.00013 -0.04434 0.00377 0.01018 0.01237 105 4XX -0.00817 -0.00074 -0.00117 -0.00054 0.00267 106 4YY -0.00823 -0.00056 -0.00016 -0.00305 0.00211 107 4ZZ -0.00996 0.00424 0.00098 0.00265 -0.00012 108 4XY -0.00003 0.00009 -0.00150 -0.00050 -0.00028 109 4XZ 0.00016 -0.00043 0.00740 -0.00028 0.00081 110 4YZ 0.00042 -0.00117 -0.00028 0.00675 0.00219 111 11 H 1S -0.03122 0.04922 0.00696 0.01880 -0.09301 112 2S -0.02713 0.03107 0.01175 0.03176 -0.15708 113 3PX 0.00014 -0.00017 0.00240 -0.00009 0.00044 114 3PY 0.00037 -0.00045 -0.00009 0.00220 0.00118 115 3PZ -0.00181 0.00223 0.00044 0.00118 -0.00340 116 12 H 1S -0.00629 0.00850 -0.00081 -0.00220 0.01087 117 2S -0.02118 0.03077 -0.00373 -0.01008 0.04986 118 3PX -0.00001 -0.00001 -0.00112 0.00002 -0.00009 119 3PY -0.00004 -0.00003 0.00002 -0.00108 -0.00025 120 3PZ 0.00019 0.00016 -0.00009 -0.00025 0.00011 101 102 103 104 105 101 3S 0.03510 102 3PX 0.00076 0.03558 103 3PY 0.00205 -0.00018 0.03517 104 3PZ -0.01013 0.00088 0.00236 0.02397 105 4XX 0.00198 -0.00048 -0.00005 0.00027 0.00050 106 4YY 0.00194 0.00000 -0.00125 0.00001 -0.00004 107 4ZZ 0.00066 0.00054 0.00145 -0.00098 -0.00012 108 4XY -0.00002 -0.00071 -0.00024 -0.00013 0.00001 109 4XZ 0.00012 0.00352 -0.00013 0.00038 -0.00003 110 4YZ 0.00031 -0.00013 0.00321 0.00102 0.00002 111 11 H 1S -0.01384 0.00220 0.00594 -0.02940 -0.00258 112 2S -0.04387 0.00185 0.00499 -0.02470 -0.00470 113 3PX 0.00002 0.00131 -0.00004 0.00020 -0.00001 114 3PY 0.00005 -0.00004 0.00122 0.00053 0.00002 115 3PZ -0.00023 0.00019 0.00053 -0.00128 -0.00008 116 12 H 1S 0.02490 0.00090 0.00243 -0.01204 0.00104 117 2S 0.05389 0.00188 0.00507 -0.02506 0.00301 118 3PX 0.00005 -0.00090 0.00002 -0.00009 0.00000 119 3PY 0.00015 0.00002 -0.00086 -0.00024 0.00001 120 3PZ -0.00073 -0.00009 -0.00024 0.00027 -0.00003 106 107 108 109 110 106 4YY 0.00052 107 4ZZ -0.00014 0.00054 108 4XY 0.00001 -0.00002 0.00013 109 4XZ 0.00001 0.00002 -0.00010 0.00059 110 4YZ -0.00007 0.00006 -0.00003 -0.00001 0.00059 111 11 H 1S -0.00236 0.00353 0.00011 -0.00053 -0.00143 112 2S -0.00437 0.00456 0.00016 -0.00080 -0.00217 113 3PX 0.00001 0.00001 -0.00003 0.00014 0.00000 114 3PY -0.00003 0.00002 -0.00001 0.00000 0.00014 115 3PZ -0.00008 0.00014 0.00000 -0.00001 -0.00002 116 12 H 1S 0.00096 -0.00107 -0.00004 0.00018 0.00049 117 2S 0.00282 -0.00231 -0.00009 0.00046 0.00125 118 3PX 0.00000 0.00000 0.00000 -0.00001 0.00000 119 3PY 0.00001 -0.00001 0.00000 0.00000 0.00000 120 3PZ -0.00003 0.00005 0.00000 -0.00001 -0.00002 111 112 113 114 115 111 11 H 1S 0.10115 112 2S 0.14483 0.23139 113 3PX -0.00030 -0.00040 0.00005 114 3PY -0.00080 -0.00109 0.00000 0.00006 115 3PZ 0.00397 0.00540 -0.00001 -0.00002 0.00016 116 12 H 1S -0.00645 -0.02939 0.00000 0.00001 -0.00004 117 2S -0.02939 -0.08916 0.00004 0.00012 -0.00057 118 3PX 0.00000 -0.00004 -0.00003 0.00000 0.00000 119 3PY -0.00001 -0.00012 0.00000 -0.00003 -0.00001 120 3PZ 0.00004 0.00057 0.00000 -0.00001 -0.00001 116 117 118 119 120 116 12 H 1S 0.10115 117 2S 0.14483 0.23139 118 3PX 0.00030 0.00040 0.00005 119 3PY 0.00080 0.00109 0.00000 0.00006 120 3PZ -0.00397 -0.00540 -0.00001 -0.00002 0.00016 Full Mulliken population analysis: 1 2 3 4 5 1 1 H 1S 0.20230 2 2S 0.19068 0.46278 3 3PX 0.00000 0.00000 0.00022 4 3PY 0.00000 0.00000 0.00000 0.00021 5 3PZ 0.00000 0.00000 0.00000 0.00000 0.00011 6 2 H 1S 0.00000 -0.00002 0.00000 0.00000 0.00000 7 2S -0.00002 -0.00032 0.00000 0.00000 0.00000 8 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 9 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 10 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 11 3 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 12 2S 0.00000 -0.00018 0.00000 0.00000 0.00000 13 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 14 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 15 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 4 H 1S 0.00000 -0.00002 0.00000 0.00000 0.00000 17 2S -0.00002 -0.00032 0.00000 0.00000 0.00000 18 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 19 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 20 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 21 5 B 1S 0.00000 0.00005 0.00000 0.00000 0.00000 22 2S -0.00003 -0.00133 0.00000 0.00000 0.00000 23 2PX -0.00005 -0.00278 0.00000 0.00000 0.00000 24 2PY -0.00004 -0.00233 0.00000 0.00000 0.00000 25 2PZ -0.00003 -0.00135 0.00000 0.00000 0.00000 26 3S 0.00056 0.00246 0.00001 0.00000 0.00002 27 3PX 0.00004 -0.00250 0.00000 0.00000 0.00005 28 3PY -0.00004 -0.00241 0.00001 0.00000 0.00004 29 3PZ 0.00063 0.00168 0.00001 0.00001 0.00000 30 4XX 0.00000 0.00011 0.00000 0.00000 0.00000 31 4YY 0.00000 0.00013 0.00000 0.00000 0.00000 32 4ZZ 0.00000 -0.00020 0.00000 0.00000 0.00000 33 4XY 0.00000 0.00012 0.00000 0.00000 0.00000 34 4XZ 0.00000 -0.00010 0.00000 0.00000 0.00000 35 4YZ 0.00000 -0.00007 0.00000 0.00000 0.00000 36 6 B 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 37 2S 0.00000 0.00028 0.00000 0.00000 0.00000 38 2PX 0.00000 0.00042 0.00000 0.00000 0.00000 39 2PY 0.00000 0.00040 0.00000 0.00000 0.00000 40 2PZ 0.00000 0.00003 0.00000 0.00000 0.00000 41 3S 0.00017 0.00349 0.00000 0.00000 0.00000 42 3PX -0.00017 -0.00227 0.00000 -0.00001 0.00000 43 3PY -0.00016 -0.00216 -0.00001 0.00000 0.00000 44 3PZ -0.00001 -0.00017 0.00000 0.00000 0.00000 45 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 46 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 47 4ZZ 0.00000 0.00001 0.00000 0.00000 0.00000 48 4XY 0.00000 -0.00003 0.00000 0.00000 0.00000 49 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 50 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 51 7 B 1S 0.00000 0.00005 0.00000 0.00000 0.00000 52 2S -0.00003 -0.00133 0.00000 0.00000 0.00000 53 2PX -0.00002 -0.00127 0.00000 0.00000 0.00000 54 2PY -0.00010 -0.00491 0.00000 0.00001 0.00000 55 2PZ -0.00001 -0.00029 0.00000 0.00000 0.00000 56 3S 0.00056 0.00246 0.00000 0.00003 0.00000 57 3PX -0.00018 -0.00207 0.00001 0.00003 0.00000 58 3PY 0.00078 -0.00100 -0.00001 0.00007 0.00000 59 3PZ 0.00003 -0.00015 0.00000 0.00001 0.00000 60 4XX 0.00000 0.00020 0.00000 0.00000 0.00000 61 4YY 0.00000 -0.00030 0.00000 0.00000 0.00000 62 4ZZ 0.00000 -0.00003 0.00000 0.00000 0.00000 63 4XY 0.00000 0.00010 0.00000 0.00000 0.00000 64 4XZ 0.00000 0.00001 0.00000 0.00000 0.00000 65 4YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 66 8 B 1S 0.00000 0.00005 0.00000 0.00000 0.00000 67 2S -0.00003 -0.00133 0.00000 0.00000 0.00000 68 2PX -0.00010 -0.00512 0.00001 0.00000 0.00000 69 2PY -0.00002 -0.00119 0.00000 0.00000 0.00000 70 2PZ 0.00000 -0.00016 0.00000 0.00000 0.00000 71 3S 0.00056 0.00246 0.00003 0.00000 0.00000 72 3PX 0.00081 -0.00108 0.00007 -0.00001 0.00000 73 3PY -0.00017 -0.00196 0.00003 0.00001 0.00000 74 3PZ -0.00001 -0.00019 0.00000 0.00000 0.00001 75 4XX 0.00000 -0.00031 0.00000 0.00000 0.00000 76 4YY 0.00000 0.00019 0.00000 0.00000 0.00000 77 4ZZ 0.00000 -0.00002 0.00000 0.00000 0.00000 78 4XY 0.00000 0.00010 0.00000 0.00000 0.00000 79 4XZ 0.00000 0.00001 0.00000 0.00000 0.00000 80 4YZ 0.00000 0.00001 0.00000 0.00000 0.00000 81 9 B 1S -0.00164 -0.00563 -0.00006 -0.00006 0.00000 82 2S 0.02622 0.03185 0.00053 0.00051 0.00004 83 2PX 0.03634 0.05722 0.00009 0.00125 0.00010 84 2PY 0.03464 0.05454 0.00125 0.00006 0.00009 85 2PZ 0.00269 0.00424 0.00010 0.00009 0.00053 86 3S -0.00914 -0.05955 -0.00003 -0.00003 0.00000 87 3PX 0.01361 0.01554 0.00000 0.00024 0.00002 88 3PY 0.01297 0.01481 0.00024 0.00001 0.00002 89 3PZ 0.00101 0.00115 0.00002 0.00002 0.00037 90 4XX 0.00030 0.00004 0.00001 -0.00003 0.00000 91 4YY 0.00022 -0.00014 -0.00003 0.00001 0.00000 92 4ZZ -0.00049 -0.00305 -0.00001 -0.00001 0.00000 93 4XY 0.00218 0.00112 0.00003 0.00003 0.00000 94 4XZ 0.00017 0.00009 0.00000 0.00000 -0.00003 95 4YZ 0.00016 0.00008 0.00000 0.00000 -0.00003 96 10 B 1S 0.00000 0.00005 0.00000 0.00000 0.00000 97 2S -0.00003 -0.00133 0.00000 0.00000 0.00000 98 2PX -0.00006 -0.00318 0.00000 0.00000 0.00000 99 2PY -0.00006 -0.00338 0.00000 0.00000 0.00000 100 2PZ 0.00000 0.00010 0.00000 0.00000 0.00000 101 3S 0.00056 0.00246 0.00001 0.00001 0.00001 102 3PX 0.00014 -0.00240 0.00000 0.00003 0.00002 103 3PY 0.00023 -0.00214 0.00002 0.00001 0.00002 104 3PZ 0.00026 0.00131 0.00000 0.00000 0.00001 105 4XX 0.00000 0.00006 0.00000 0.00000 0.00000 106 4YY 0.00000 0.00001 0.00000 0.00000 0.00000 107 4ZZ 0.00000 -0.00002 0.00000 0.00000 0.00000 108 4XY 0.00000 0.00008 0.00000 0.00000 0.00000 109 4XZ 0.00000 -0.00008 0.00000 0.00000 0.00000 110 4YZ 0.00000 -0.00008 0.00000 0.00000 0.00000 111 11 H 1S 0.00000 -0.00002 0.00000 0.00000 0.00000 112 2S -0.00002 -0.00032 0.00000 0.00000 0.00000 113 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 114 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 115 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 12 H 1S 0.00000 -0.00002 0.00000 0.00000 0.00000 117 2S -0.00002 -0.00032 0.00000 0.00000 0.00000 118 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 119 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 120 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 7 8 9 10 6 2 H 1S 0.20230 7 2S 0.19068 0.46278 8 3PX 0.00000 0.00000 0.00022 9 3PY 0.00000 0.00000 0.00000 0.00022 10 3PZ 0.00000 0.00000 0.00000 0.00000 0.00011 11 3 H 1S 0.00000 -0.00002 0.00000 0.00000 0.00000 12 2S -0.00002 -0.00032 0.00000 0.00000 0.00000 13 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 14 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 15 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 4 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 17 2S 0.00000 -0.00018 0.00000 0.00000 0.00000 18 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 19 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 20 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 21 5 B 1S 0.00000 0.00005 0.00000 0.00000 0.00000 22 2S -0.00003 -0.00133 0.00000 0.00000 0.00000 23 2PX -0.00006 -0.00323 0.00000 0.00000 0.00000 24 2PY -0.00004 -0.00244 0.00000 0.00000 0.00000 25 2PZ -0.00002 -0.00079 0.00000 0.00000 0.00000 26 3S 0.00056 0.00246 0.00001 0.00000 0.00001 27 3PX 0.00014 -0.00244 0.00000 0.00000 0.00005 28 3PY -0.00004 -0.00251 0.00001 0.00000 0.00004 29 3PZ 0.00052 0.00172 0.00001 0.00001 0.00000 30 4XX 0.00000 0.00007 0.00000 0.00000 0.00000 31 4YY 0.00000 0.00013 0.00000 0.00000 0.00000 32 4ZZ 0.00000 -0.00014 0.00000 0.00000 0.00000 33 4XY 0.00000 0.00012 0.00000 0.00000 0.00000 34 4XZ 0.00000 -0.00012 0.00000 0.00000 0.00000 35 4YZ 0.00000 -0.00008 0.00000 0.00000 0.00000 36 6 B 1S 0.00000 0.00005 0.00000 0.00000 0.00000 37 2S -0.00003 -0.00133 0.00000 0.00000 0.00000 38 2PX -0.00002 -0.00131 0.00000 0.00000 0.00000 39 2PY -0.00010 -0.00502 0.00000 0.00001 0.00000 40 2PZ 0.00000 -0.00013 0.00000 0.00000 0.00000 41 3S 0.00056 0.00246 0.00000 0.00003 0.00000 42 3PX -0.00018 -0.00213 0.00001 0.00003 0.00000 43 3PY 0.00077 -0.00114 -0.00001 0.00007 0.00000 44 3PZ 0.00003 0.00004 0.00000 0.00000 0.00000 45 4XX 0.00000 0.00020 0.00000 0.00000 0.00000 46 4YY 0.00000 -0.00029 0.00000 0.00000 0.00000 47 4ZZ 0.00000 -0.00003 0.00000 0.00000 0.00000 48 4XY 0.00000 0.00011 0.00000 0.00000 0.00000 49 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 50 4YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 51 7 B 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 52 2S 0.00000 0.00028 0.00000 0.00000 0.00000 53 2PX 0.00000 0.00042 0.00000 0.00000 0.00000 54 2PY 0.00000 0.00042 0.00000 0.00000 0.00000 55 2PZ 0.00000 0.00001 0.00000 0.00000 0.00000 56 3S 0.00017 0.00349 0.00000 0.00000 0.00000 57 3PX -0.00017 -0.00230 0.00000 -0.00001 0.00000 58 3PY -0.00017 -0.00225 -0.00001 0.00000 0.00000 59 3PZ 0.00000 -0.00004 0.00000 0.00000 0.00000 60 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 61 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 62 4ZZ 0.00000 0.00001 0.00000 0.00000 0.00000 63 4XY 0.00000 -0.00003 0.00000 0.00000 0.00000 64 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 65 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 8 B 1S -0.00164 -0.00563 -0.00006 -0.00006 0.00000 67 2S 0.02622 0.03186 0.00054 0.00053 0.00001 68 2PX 0.03694 0.05816 0.00011 0.00133 0.00002 69 2PY 0.03616 0.05693 0.00133 0.00009 0.00002 70 2PZ 0.00058 0.00091 0.00002 0.00002 0.00064 71 3S -0.00914 -0.05955 -0.00003 -0.00003 0.00000 72 3PX 0.01383 0.01579 0.00000 0.00026 0.00000 73 3PY 0.01354 0.01546 0.00026 0.00000 0.00000 74 3PZ 0.00022 0.00025 0.00000 0.00000 0.00041 75 4XX 0.00033 0.00011 0.00001 -0.00004 0.00000 76 4YY 0.00029 0.00002 -0.00004 0.00001 0.00000 77 4ZZ -0.00048 -0.00321 -0.00001 -0.00001 0.00000 78 4XY 0.00232 0.00119 0.00003 0.00003 0.00000 79 4XZ 0.00004 0.00002 0.00000 0.00000 -0.00004 80 4YZ 0.00004 0.00002 0.00000 0.00000 -0.00003 81 9 B 1S 0.00000 0.00005 0.00000 0.00000 0.00000 82 2S -0.00003 -0.00133 0.00000 0.00000 0.00000 83 2PX -0.00010 -0.00516 0.00001 0.00000 0.00000 84 2PY -0.00002 -0.00130 0.00000 0.00000 0.00000 85 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 86 3S 0.00056 0.00246 0.00003 0.00000 0.00000 87 3PX 0.00080 -0.00114 0.00008 -0.00001 0.00000 88 3PY -0.00018 -0.00210 0.00003 0.00001 0.00000 89 3PZ 0.00000 0.00001 0.00000 0.00000 0.00001 90 4XX 0.00000 -0.00031 0.00000 0.00000 0.00000 91 4YY 0.00000 0.00020 0.00000 0.00000 0.00000 92 4ZZ 0.00000 -0.00002 0.00000 0.00000 0.00000 93 4XY 0.00000 0.00011 0.00000 0.00000 0.00000 94 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 10 B 1S 0.00000 0.00005 0.00000 0.00000 0.00000 97 2S -0.00003 -0.00133 0.00000 0.00000 0.00000 98 2PX -0.00005 -0.00283 0.00000 0.00000 0.00000 99 2PY -0.00007 -0.00352 0.00000 0.00000 0.00000 100 2PZ -0.00001 -0.00012 0.00000 0.00000 0.00000 101 3S 0.00056 0.00246 0.00001 0.00001 0.00001 102 3PX 0.00004 -0.00254 0.00000 0.00002 0.00003 103 3PY 0.00024 -0.00224 0.00001 0.00001 0.00003 104 3PZ 0.00035 0.00155 0.00000 0.00000 0.00000 105 4XX 0.00000 0.00011 0.00000 0.00000 0.00000 106 4YY 0.00000 0.00001 0.00000 0.00000 0.00000 107 4ZZ 0.00000 -0.00006 0.00000 0.00000 0.00000 108 4XY 0.00000 0.00010 0.00000 0.00000 0.00000 109 4XZ 0.00000 -0.00008 0.00000 0.00000 0.00000 110 4YZ 0.00000 -0.00011 0.00000 0.00000 0.00000 111 11 H 1S 0.00000 -0.00002 0.00000 0.00000 0.00000 112 2S -0.00002 -0.00032 0.00000 0.00000 0.00000 113 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 114 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 115 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 12 H 1S 0.00000 -0.00002 0.00000 0.00000 0.00000 117 2S -0.00002 -0.00032 0.00000 0.00000 0.00000 118 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 119 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 120 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 11 12 13 14 15 11 3 H 1S 0.20230 12 2S 0.19068 0.46278 13 3PX 0.00000 0.00000 0.00022 14 3PY 0.00000 0.00000 0.00000 0.00021 15 3PZ 0.00000 0.00000 0.00000 0.00000 0.00011 16 4 H 1S 0.00000 -0.00002 0.00000 0.00000 0.00000 17 2S -0.00002 -0.00032 0.00000 0.00000 0.00000 18 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 19 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 20 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 21 5 B 1S 0.00000 0.00005 0.00000 0.00000 0.00000 22 2S -0.00003 -0.00133 0.00000 0.00000 0.00000 23 2PX -0.00006 -0.00318 0.00000 0.00000 0.00000 24 2PY -0.00006 -0.00338 0.00000 0.00000 0.00000 25 2PZ 0.00000 0.00010 0.00000 0.00000 0.00000 26 3S 0.00056 0.00246 0.00001 0.00001 0.00001 27 3PX 0.00014 -0.00240 0.00000 0.00003 0.00002 28 3PY 0.00023 -0.00214 0.00002 0.00001 0.00002 29 3PZ 0.00026 0.00131 0.00000 0.00000 0.00001 30 4XX 0.00000 0.00006 0.00000 0.00000 0.00000 31 4YY 0.00000 0.00001 0.00000 0.00000 0.00000 32 4ZZ 0.00000 -0.00002 0.00000 0.00000 0.00000 33 4XY 0.00000 0.00008 0.00000 0.00000 0.00000 34 4XZ 0.00000 -0.00008 0.00000 0.00000 0.00000 35 4YZ 0.00000 -0.00008 0.00000 0.00000 0.00000 36 6 B 1S -0.00164 -0.00563 -0.00006 -0.00006 0.00000 37 2S 0.02622 0.03185 0.00053 0.00051 0.00004 38 2PX 0.03634 0.05722 0.00009 0.00125 0.00010 39 2PY 0.03464 0.05454 0.00125 0.00006 0.00009 40 2PZ 0.00269 0.00424 0.00010 0.00009 0.00053 41 3S -0.00914 -0.05955 -0.00003 -0.00003 0.00000 42 3PX 0.01361 0.01554 0.00000 0.00024 0.00002 43 3PY 0.01297 0.01481 0.00024 0.00001 0.00002 44 3PZ 0.00101 0.00115 0.00002 0.00002 0.00037 45 4XX 0.00030 0.00004 0.00001 -0.00003 0.00000 46 4YY 0.00022 -0.00014 -0.00003 0.00001 0.00000 47 4ZZ -0.00049 -0.00305 -0.00001 -0.00001 0.00000 48 4XY 0.00218 0.00112 0.00003 0.00003 0.00000 49 4XZ 0.00017 0.00009 0.00000 0.00000 -0.00003 50 4YZ 0.00016 0.00008 0.00000 0.00000 -0.00003 51 7 B 1S 0.00000 0.00005 0.00000 0.00000 0.00000 52 2S -0.00003 -0.00133 0.00000 0.00000 0.00000 53 2PX -0.00010 -0.00512 0.00001 0.00000 0.00000 54 2PY -0.00002 -0.00119 0.00000 0.00000 0.00000 55 2PZ 0.00000 -0.00016 0.00000 0.00000 0.00000 56 3S 0.00056 0.00246 0.00003 0.00000 0.00000 57 3PX 0.00081 -0.00108 0.00007 -0.00001 0.00000 58 3PY -0.00017 -0.00196 0.00003 0.00001 0.00000 59 3PZ -0.00001 -0.00019 0.00000 0.00000 0.00001 60 4XX 0.00000 -0.00031 0.00000 0.00000 0.00000 61 4YY 0.00000 0.00019 0.00000 0.00000 0.00000 62 4ZZ 0.00000 -0.00002 0.00000 0.00000 0.00000 63 4XY 0.00000 0.00010 0.00000 0.00000 0.00000 64 4XZ 0.00000 0.00001 0.00000 0.00000 0.00000 65 4YZ 0.00000 0.00001 0.00000 0.00000 0.00000 66 8 B 1S 0.00000 0.00005 0.00000 0.00000 0.00000 67 2S -0.00003 -0.00133 0.00000 0.00000 0.00000 68 2PX -0.00002 -0.00127 0.00000 0.00000 0.00000 69 2PY -0.00010 -0.00491 0.00000 0.00001 0.00000 70 2PZ -0.00001 -0.00029 0.00000 0.00000 0.00000 71 3S 0.00056 0.00246 0.00000 0.00003 0.00000 72 3PX -0.00018 -0.00207 0.00001 0.00003 0.00000 73 3PY 0.00078 -0.00100 -0.00001 0.00007 0.00000 74 3PZ 0.00003 -0.00015 0.00000 0.00001 0.00000 75 4XX 0.00000 0.00020 0.00000 0.00000 0.00000 76 4YY 0.00000 -0.00030 0.00000 0.00000 0.00000 77 4ZZ 0.00000 -0.00003 0.00000 0.00000 0.00000 78 4XY 0.00000 0.00010 0.00000 0.00000 0.00000 79 4XZ 0.00000 0.00001 0.00000 0.00000 0.00000 80 4YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 81 9 B 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 82 2S 0.00000 0.00028 0.00000 0.00000 0.00000 83 2PX 0.00000 0.00042 0.00000 0.00000 0.00000 84 2PY 0.00000 0.00040 0.00000 0.00000 0.00000 85 2PZ 0.00000 0.00003 0.00000 0.00000 0.00000 86 3S 0.00017 0.00349 0.00000 0.00000 0.00000 87 3PX -0.00017 -0.00227 0.00000 -0.00001 0.00000 88 3PY -0.00016 -0.00216 -0.00001 0.00000 0.00000 89 3PZ -0.00001 -0.00017 0.00000 0.00000 0.00000 90 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 91 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 92 4ZZ 0.00000 0.00001 0.00000 0.00000 0.00000 93 4XY 0.00000 -0.00003 0.00000 0.00000 0.00000 94 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 10 B 1S 0.00000 0.00005 0.00000 0.00000 0.00000 97 2S -0.00003 -0.00133 0.00000 0.00000 0.00000 98 2PX -0.00005 -0.00278 0.00000 0.00000 0.00000 99 2PY -0.00004 -0.00233 0.00000 0.00000 0.00000 100 2PZ -0.00003 -0.00135 0.00000 0.00000 0.00000 101 3S 0.00056 0.00246 0.00001 0.00000 0.00002 102 3PX 0.00004 -0.00250 0.00000 0.00000 0.00005 103 3PY -0.00004 -0.00241 0.00001 0.00000 0.00004 104 3PZ 0.00063 0.00168 0.00001 0.00001 0.00000 105 4XX 0.00000 0.00011 0.00000 0.00000 0.00000 106 4YY 0.00000 0.00013 0.00000 0.00000 0.00000 107 4ZZ 0.00000 -0.00020 0.00000 0.00000 0.00000 108 4XY 0.00000 0.00012 0.00000 0.00000 0.00000 109 4XZ 0.00000 -0.00010 0.00000 0.00000 0.00000 110 4YZ 0.00000 -0.00007 0.00000 0.00000 0.00000 111 11 H 1S 0.00000 -0.00002 0.00000 0.00000 0.00000 112 2S -0.00002 -0.00032 0.00000 0.00000 0.00000 113 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 114 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 115 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 12 H 1S 0.00000 -0.00002 0.00000 0.00000 0.00000 117 2S -0.00002 -0.00032 0.00000 0.00000 0.00000 118 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 119 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 120 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 17 18 19 20 16 4 H 1S 0.20230 17 2S 0.19068 0.46278 18 3PX 0.00000 0.00000 0.00022 19 3PY 0.00000 0.00000 0.00000 0.00022 20 3PZ 0.00000 0.00000 0.00000 0.00000 0.00011 21 5 B 1S 0.00000 0.00005 0.00000 0.00000 0.00000 22 2S -0.00003 -0.00133 0.00000 0.00000 0.00000 23 2PX -0.00005 -0.00283 0.00000 0.00000 0.00000 24 2PY -0.00007 -0.00352 0.00000 0.00000 0.00000 25 2PZ -0.00001 -0.00012 0.00000 0.00000 0.00000 26 3S 0.00056 0.00246 0.00001 0.00001 0.00001 27 3PX 0.00004 -0.00254 0.00000 0.00002 0.00003 28 3PY 0.00024 -0.00224 0.00001 0.00001 0.00003 29 3PZ 0.00035 0.00155 0.00000 0.00000 0.00000 30 4XX 0.00000 0.00011 0.00000 0.00000 0.00000 31 4YY 0.00000 0.00001 0.00000 0.00000 0.00000 32 4ZZ 0.00000 -0.00006 0.00000 0.00000 0.00000 33 4XY 0.00000 0.00010 0.00000 0.00000 0.00000 34 4XZ 0.00000 -0.00008 0.00000 0.00000 0.00000 35 4YZ 0.00000 -0.00011 0.00000 0.00000 0.00000 36 6 B 1S 0.00000 0.00005 0.00000 0.00000 0.00000 37 2S -0.00003 -0.00133 0.00000 0.00000 0.00000 38 2PX -0.00010 -0.00516 0.00001 0.00000 0.00000 39 2PY -0.00002 -0.00130 0.00000 0.00000 0.00000 40 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 41 3S 0.00056 0.00246 0.00003 0.00000 0.00000 42 3PX 0.00080 -0.00114 0.00008 -0.00001 0.00000 43 3PY -0.00018 -0.00210 0.00003 0.00001 0.00000 44 3PZ 0.00000 0.00001 0.00000 0.00000 0.00001 45 4XX 0.00000 -0.00031 0.00000 0.00000 0.00000 46 4YY 0.00000 0.00020 0.00000 0.00000 0.00000 47 4ZZ 0.00000 -0.00002 0.00000 0.00000 0.00000 48 4XY 0.00000 0.00011 0.00000 0.00000 0.00000 49 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 50 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 51 7 B 1S -0.00164 -0.00563 -0.00006 -0.00006 0.00000 52 2S 0.02622 0.03186 0.00054 0.00053 0.00001 53 2PX 0.03694 0.05816 0.00011 0.00133 0.00002 54 2PY 0.03616 0.05693 0.00133 0.00009 0.00002 55 2PZ 0.00058 0.00091 0.00002 0.00002 0.00064 56 3S -0.00914 -0.05955 -0.00003 -0.00003 0.00000 57 3PX 0.01383 0.01579 0.00000 0.00026 0.00000 58 3PY 0.01354 0.01546 0.00026 0.00000 0.00000 59 3PZ 0.00022 0.00025 0.00000 0.00000 0.00041 60 4XX 0.00033 0.00011 0.00001 -0.00004 0.00000 61 4YY 0.00029 0.00002 -0.00004 0.00001 0.00000 62 4ZZ -0.00048 -0.00321 -0.00001 -0.00001 0.00000 63 4XY 0.00232 0.00119 0.00003 0.00003 0.00000 64 4XZ 0.00004 0.00002 0.00000 0.00000 -0.00004 65 4YZ 0.00004 0.00002 0.00000 0.00000 -0.00003 66 8 B 1S 0.00000 -0.00001 0.00000 0.00000 0.00000 67 2S 0.00000 0.00028 0.00000 0.00000 0.00000 68 2PX 0.00000 0.00042 0.00000 0.00000 0.00000 69 2PY 0.00000 0.00042 0.00000 0.00000 0.00000 70 2PZ 0.00000 0.00001 0.00000 0.00000 0.00000 71 3S 0.00017 0.00349 0.00000 0.00000 0.00000 72 3PX -0.00017 -0.00230 0.00000 -0.00001 0.00000 73 3PY -0.00017 -0.00225 -0.00001 0.00000 0.00000 74 3PZ 0.00000 -0.00004 0.00000 0.00000 0.00000 75 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 76 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 77 4ZZ 0.00000 0.00001 0.00000 0.00000 0.00000 78 4XY 0.00000 -0.00003 0.00000 0.00000 0.00000 79 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 9 B 1S 0.00000 0.00005 0.00000 0.00000 0.00000 82 2S -0.00003 -0.00133 0.00000 0.00000 0.00000 83 2PX -0.00002 -0.00131 0.00000 0.00000 0.00000 84 2PY -0.00010 -0.00502 0.00000 0.00001 0.00000 85 2PZ 0.00000 -0.00013 0.00000 0.00000 0.00000 86 3S 0.00056 0.00246 0.00000 0.00003 0.00000 87 3PX -0.00018 -0.00213 0.00001 0.00003 0.00000 88 3PY 0.00077 -0.00114 -0.00001 0.00007 0.00000 89 3PZ 0.00003 0.00004 0.00000 0.00000 0.00000 90 4XX 0.00000 0.00020 0.00000 0.00000 0.00000 91 4YY 0.00000 -0.00029 0.00000 0.00000 0.00000 92 4ZZ 0.00000 -0.00003 0.00000 0.00000 0.00000 93 4XY 0.00000 0.00011 0.00000 0.00000 0.00000 94 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 4YZ 0.00000 -0.00001 0.00000 0.00000 0.00000 96 10 B 1S 0.00000 0.00005 0.00000 0.00000 0.00000 97 2S -0.00003 -0.00133 0.00000 0.00000 0.00000 98 2PX -0.00006 -0.00323 0.00000 0.00000 0.00000 99 2PY -0.00004 -0.00244 0.00000 0.00000 0.00000 100 2PZ -0.00002 -0.00079 0.00000 0.00000 0.00000 101 3S 0.00056 0.00246 0.00001 0.00000 0.00001 102 3PX 0.00014 -0.00244 0.00000 0.00000 0.00005 103 3PY -0.00004 -0.00251 0.00001 0.00000 0.00004 104 3PZ 0.00052 0.00172 0.00001 0.00001 0.00000 105 4XX 0.00000 0.00007 0.00000 0.00000 0.00000 106 4YY 0.00000 0.00013 0.00000 0.00000 0.00000 107 4ZZ 0.00000 -0.00014 0.00000 0.00000 0.00000 108 4XY 0.00000 0.00012 0.00000 0.00000 0.00000 109 4XZ 0.00000 -0.00012 0.00000 0.00000 0.00000 110 4YZ 0.00000 -0.00008 0.00000 0.00000 0.00000 111 11 H 1S 0.00000 -0.00002 0.00000 0.00000 0.00000 112 2S -0.00002 -0.00032 0.00000 0.00000 0.00000 113 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 114 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 115 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 12 H 1S 0.00000 -0.00002 0.00000 0.00000 0.00000 117 2S -0.00002 -0.00032 0.00000 0.00000 0.00000 118 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 119 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 120 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 21 22 23 24 25 21 5 B 1S 2.04182 22 2S 0.00133 0.22024 23 2PX 0.00000 0.00000 0.23893 24 2PY 0.00000 0.00000 0.00000 0.23969 25 2PZ 0.00000 0.00000 0.00000 0.00000 0.26052 26 3S -0.02814 0.05212 0.00000 0.00000 0.00000 27 3PX 0.00000 0.00000 0.07787 0.00000 0.00000 28 3PY 0.00000 0.00000 0.00000 0.07565 0.00000 29 3PZ 0.00000 0.00000 0.00000 0.00000 0.01543 30 4XX -0.00149 -0.00107 0.00000 0.00000 0.00000 31 4YY -0.00150 -0.00082 0.00000 0.00000 0.00000 32 4ZZ -0.00181 0.00613 0.00000 0.00000 0.00000 33 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 34 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 35 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 36 6 B 1S 0.00000 -0.00025 -0.00058 -0.00071 -0.00027 37 2S -0.00025 0.00557 0.00867 0.01062 0.00455 38 2PX -0.00036 0.00567 0.00022 0.01385 0.00311 39 2PY -0.00051 0.00798 0.01504 0.00172 0.00589 40 2PZ -0.00069 0.01019 0.01152 0.01559 0.00126 41 3S 0.00035 0.00905 0.00596 0.00662 -0.00171 42 3PX 0.00024 0.00224 0.00246 0.00011 -0.00029 43 3PY 0.00014 0.00408 0.00154 0.00087 0.00030 44 3PZ -0.00089 0.01050 0.00976 0.01187 -0.00010 45 4XX -0.00001 0.00022 -0.00020 0.00121 0.00030 46 4YY -0.00002 0.00046 0.00141 -0.00029 0.00067 47 4ZZ 0.00001 -0.00014 -0.00005 0.00008 -0.00033 48 4XY -0.00004 0.00057 -0.00004 0.00006 0.00063 49 4XZ -0.00005 0.00062 -0.00004 0.00110 0.00008 50 4YZ -0.00005 0.00073 0.00090 0.00000 0.00010 51 7 B 1S 0.00000 -0.00025 -0.00043 -0.00073 -0.00040 52 2S -0.00025 0.00557 0.00633 0.01100 0.00651 53 2PX -0.00020 0.00328 0.00017 0.00947 0.00188 54 2PY -0.00052 0.00823 0.01161 0.00214 0.00930 55 2PZ -0.00083 0.01233 0.00950 0.02035 0.00378 56 3S 0.00035 0.00905 0.00493 0.00688 -0.00093 57 3PX 0.00029 0.00053 0.00497 -0.00137 -0.00102 58 3PY 0.00015 0.00418 0.00120 0.00074 0.00058 59 3PZ -0.00096 0.01210 0.00808 0.01377 -0.00041 60 4XX 0.00000 0.00000 -0.00009 0.00073 0.00011 61 4YY -0.00002 0.00049 0.00109 -0.00029 0.00103 62 4ZZ 0.00000 0.00007 0.00001 0.00049 -0.00046 63 4XY -0.00003 0.00038 -0.00001 0.00007 0.00049 64 4XZ -0.00004 0.00058 -0.00001 0.00114 0.00018 65 4YZ -0.00007 0.00094 0.00076 0.00005 0.00032 66 8 B 1S 0.00000 -0.00025 -0.00059 -0.00030 -0.00067 67 2S -0.00025 0.00557 0.00880 0.00440 0.01064 68 2PX -0.00036 0.00575 0.00027 0.00653 0.01048 69 2PY -0.00009 0.00163 0.00505 0.00115 0.00140 70 2PZ -0.00110 0.01646 0.02174 0.00882 0.01275 71 3S 0.00035 0.00905 0.00606 0.00387 0.00095 72 3PX 0.00024 0.00227 0.00241 0.00013 -0.00032 73 3PY 0.00030 -0.00048 -0.00164 0.00723 -0.00212 74 3PZ -0.00105 0.01502 0.01311 0.00674 0.00098 75 4XX -0.00001 0.00023 -0.00020 0.00056 0.00096 76 4YY 0.00000 -0.00013 0.00034 -0.00002 0.00001 77 4ZZ -0.00003 0.00062 0.00102 0.00016 -0.00050 78 4XY -0.00001 0.00015 -0.00001 0.00010 0.00025 79 4XZ -0.00008 0.00105 -0.00006 0.00062 0.00091 80 4YZ -0.00004 0.00054 0.00090 0.00014 0.00043 81 9 B 1S 0.00000 -0.00025 -0.00042 -0.00028 -0.00085 82 2S -0.00025 0.00557 0.00622 0.00416 0.01346 83 2PX -0.00020 0.00322 0.00020 0.00430 0.00693 84 2PY -0.00009 0.00152 0.00377 0.00137 0.00240 85 2PZ -0.00127 0.01910 0.01708 0.01035 0.02180 86 3S 0.00035 0.00905 0.00484 0.00367 0.00236 87 3PX 0.00029 0.00052 0.00502 -0.00047 -0.00191 88 3PY 0.00028 -0.00048 -0.00111 0.00731 -0.00256 89 3PZ -0.00108 0.01678 0.01021 0.00695 0.00308 90 4XX 0.00000 -0.00001 -0.00008 0.00034 0.00049 91 4YY 0.00000 -0.00014 0.00026 -0.00002 0.00007 92 4ZZ -0.00005 0.00107 0.00089 0.00038 -0.00019 93 4XY 0.00000 0.00007 0.00000 0.00008 0.00012 94 4XZ -0.00007 0.00087 -0.00001 0.00058 0.00109 95 4YZ -0.00004 0.00059 0.00068 0.00020 0.00071 96 10 B 1S 0.00000 0.00001 0.00000 0.00000 0.00003 97 2S 0.00001 -0.00110 -0.00001 -0.00006 -0.00158 98 2PX 0.00000 -0.00001 -0.00077 0.00000 -0.00005 99 2PY 0.00000 -0.00006 0.00000 -0.00052 -0.00035 100 2PZ 0.00003 -0.00158 -0.00005 -0.00035 -0.00213 101 3S -0.00003 -0.00269 -0.00005 -0.00036 -0.00875 102 3PX -0.00001 0.00004 -0.00498 0.00000 -0.00003 103 3PY -0.00005 0.00027 0.00000 -0.00423 -0.00024 104 3PZ -0.00115 0.00656 -0.00003 -0.00024 0.01062 105 4XX 0.00000 -0.00003 0.00000 0.00000 -0.00007 106 4YY 0.00000 -0.00003 0.00000 0.00000 -0.00008 107 4ZZ 0.00000 0.00016 0.00001 0.00004 0.00046 108 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 109 4XZ 0.00000 0.00000 0.00004 0.00000 0.00001 110 4YZ 0.00000 0.00002 0.00000 0.00002 0.00008 111 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 112 2S -0.00001 0.00028 0.00000 0.00003 0.00081 113 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 114 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 115 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 12 H 1S -0.00164 0.02622 0.00039 0.00288 0.07040 117 2S -0.00563 0.03186 0.00062 0.00453 0.11085 118 3PX 0.00000 0.00001 0.00065 0.00000 0.00003 119 3PY 0.00000 0.00004 0.00000 0.00052 0.00020 120 3PZ -0.00011 0.00103 0.00003 0.00020 0.00195 26 27 28 29 30 26 3S 0.07020 27 3PX 0.00000 0.07117 28 3PY 0.00000 0.00000 0.07034 29 3PZ 0.00000 0.00000 0.00000 0.04795 30 4XX 0.00250 0.00000 0.00000 0.00000 0.00099 31 4YY 0.00244 0.00000 0.00000 0.00000 -0.00002 32 4ZZ 0.00083 0.00000 0.00000 0.00000 -0.00008 33 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 34 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 35 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 36 6 B 1S 0.00035 -0.00054 -0.00054 0.00058 -0.00001 37 2S 0.00905 0.00787 0.00904 -0.00010 0.00012 38 2PX 0.00058 0.00009 0.00436 -0.00196 -0.00036 39 2PY 0.00186 0.00579 -0.00021 -0.00269 0.00093 40 2PZ 0.00843 0.00809 0.00888 0.00417 0.00045 41 3S 0.00765 0.00399 0.00407 -0.00368 0.00005 42 3PX -0.00136 0.00343 -0.00008 -0.00114 -0.00076 43 3PY -0.00065 0.00132 0.00169 -0.00175 0.00101 44 3PZ 0.00638 0.00867 0.00954 0.00769 0.00023 45 4XX 0.00032 -0.00027 0.00088 -0.00008 -0.00001 46 4YY 0.00053 0.00106 -0.00039 -0.00012 0.00007 47 4ZZ -0.00054 -0.00023 0.00006 -0.00010 -0.00002 48 4XY 0.00013 0.00001 0.00000 -0.00007 0.00000 49 4XZ 0.00019 0.00003 0.00026 0.00010 0.00001 50 4YZ 0.00020 0.00026 0.00001 0.00010 0.00002 51 7 B 1S 0.00035 -0.00050 -0.00057 0.00056 0.00000 52 2S 0.00905 0.00625 0.00939 0.00118 -0.00008 53 2PX -0.00055 0.00125 0.00250 -0.00096 -0.00016 54 2PY 0.00190 0.00506 -0.00023 -0.00213 0.00049 55 2PZ 0.00953 0.00815 0.01106 0.00182 0.00020 56 3S 0.00765 0.00360 0.00424 -0.00346 -0.00019 57 3PX -0.00183 0.00621 -0.00124 -0.00076 -0.00048 58 3PY -0.00071 0.00126 0.00161 -0.00180 0.00095 59 3PZ 0.00692 0.00812 0.01107 0.00488 -0.00012 60 4XX 0.00008 -0.00018 0.00054 0.00014 -0.00001 61 4YY 0.00055 0.00088 -0.00038 0.00003 0.00003 62 4ZZ -0.00033 -0.00023 0.00039 -0.00034 -0.00002 63 4XY 0.00008 0.00004 0.00000 -0.00004 0.00000 64 4XZ 0.00019 0.00005 0.00026 0.00003 0.00000 65 4YZ 0.00025 0.00027 0.00001 0.00003 0.00001 66 8 B 1S 0.00035 -0.00055 -0.00043 0.00047 -0.00001 67 2S 0.00905 0.00799 0.00473 0.00410 0.00013 68 2PX 0.00058 0.00005 0.00279 -0.00042 -0.00037 69 2PY -0.00112 0.00103 0.00294 -0.00030 0.00038 70 2PZ 0.01141 0.01302 0.00856 -0.00115 0.00101 71 3S 0.00764 0.00405 0.00303 -0.00270 0.00005 72 3PX -0.00138 0.00340 0.00024 -0.00148 -0.00076 73 3PY -0.00192 -0.00148 0.00903 -0.00098 0.00047 74 3PZ 0.00767 0.01163 0.00767 0.00135 0.00077 75 4XX 0.00033 -0.00027 0.00048 0.00032 -0.00001 76 4YY -0.00013 0.00018 -0.00013 0.00040 0.00002 77 4ZZ 0.00011 0.00066 0.00002 -0.00076 0.00000 78 4XY 0.00002 -0.00001 0.00008 0.00000 0.00000 79 4XZ 0.00030 0.00004 0.00026 -0.00005 0.00001 80 4YZ 0.00019 0.00024 0.00008 -0.00004 0.00004 81 9 B 1S 0.00035 -0.00049 -0.00041 0.00039 0.00000 82 2S 0.00905 0.00614 0.00449 0.00619 -0.00009 83 2PX -0.00054 0.00131 0.00144 0.00010 -0.00016 84 2PY -0.00108 0.00080 0.00313 -0.00010 0.00020 85 2PZ 0.01250 0.01222 0.00940 -0.00178 0.00049 86 3S 0.00765 0.00353 0.00288 -0.00204 -0.00019 87 3PX -0.00181 0.00623 -0.00046 -0.00152 -0.00047 88 3PY -0.00184 -0.00108 0.00903 -0.00132 0.00050 89 3PZ 0.00802 0.01030 0.00795 0.00023 0.00034 90 4XX 0.00007 -0.00018 0.00024 0.00044 -0.00001 91 4YY -0.00013 0.00010 -0.00012 0.00046 0.00001 92 4ZZ 0.00040 0.00059 0.00026 -0.00093 0.00000 93 4XY 0.00000 0.00001 0.00006 0.00002 0.00000 94 4XZ 0.00027 0.00009 0.00023 -0.00006 0.00000 95 4YZ 0.00020 0.00022 0.00012 -0.00006 0.00002 96 10 B 1S -0.00003 -0.00001 -0.00005 -0.00115 0.00000 97 2S -0.00269 0.00004 0.00027 0.00656 -0.00003 98 2PX -0.00005 -0.00498 0.00000 -0.00003 0.00000 99 2PY -0.00036 0.00000 -0.00423 -0.00024 0.00000 100 2PZ -0.00875 -0.00003 -0.00024 0.01062 -0.00007 101 3S -0.00668 0.00004 0.00030 0.00723 -0.00019 102 3PX 0.00004 -0.01195 -0.00001 -0.00018 0.00000 103 3PY 0.00030 -0.00001 -0.01044 -0.00134 0.00001 104 3PZ 0.00723 -0.00018 -0.00134 -0.00059 0.00034 105 4XX -0.00019 0.00000 0.00001 0.00034 0.00000 106 4YY -0.00018 0.00000 0.00001 0.00033 0.00000 107 4ZZ 0.00036 0.00000 -0.00002 -0.00010 0.00000 108 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 109 4XZ 0.00000 -0.00003 0.00000 0.00000 0.00000 110 4YZ 0.00003 0.00000 -0.00002 -0.00003 0.00000 111 11 H 1S 0.00017 0.00000 -0.00001 -0.00033 0.00000 112 2S 0.00349 -0.00002 -0.00018 -0.00439 0.00001 113 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 114 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 115 3PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 116 12 H 1S -0.00914 0.00015 0.00108 0.02636 -0.00047 117 2S -0.05954 0.00017 0.00123 0.03010 -0.00322 118 3PX 0.00000 0.00041 0.00000 0.00001 0.00000 119 3PY 0.00000 0.00000 0.00037 0.00004 0.00000 120 3PZ -0.00006 0.00001 0.00004 0.00006 -0.00001 31 32 33 34 35 31 4YY 0.00104 32 4ZZ -0.00009 0.00108 33 4XY 0.00000 0.00000 0.00026 34 4XZ 0.00000 0.00000 0.00000 0.00119 35 4YZ 0.00000 0.00000 0.00000 0.00000 0.00117 36 6 B 1S -0.00002 0.00000 -0.00003 -0.00005 -0.00006 37 2S 0.00036 0.00004 0.00048 0.00065 0.00079 38 2PX 0.00113 0.00020 -0.00005 0.00002 0.00099 39 2PY -0.00050 0.00040 0.00000 0.00113 0.00017 40 2PZ 0.00086 -0.00014 0.00016 0.00009 0.00010 41 3S 0.00028 -0.00003 0.00005 0.00021 0.00025 42 3PX 0.00084 0.00025 0.00005 0.00008 -0.00005 43 3PY -0.00097 0.00037 0.00001 0.00000 0.00002 44 3PZ 0.00069 -0.00021 0.00007 -0.00007 -0.00008 45 4XX 0.00008 -0.00001 0.00000 -0.00002 0.00010 46 4YY -0.00002 0.00003 0.00001 0.00013 -0.00003 47 4ZZ -0.00002 0.00000 0.00001 0.00001 0.00001 48 4XY 0.00000 0.00006 0.00001 -0.00001 0.00000 49 4XZ 0.00005 -0.00001 0.00000 0.00000 0.00002 50 4YZ 0.00002 0.00000 0.00000 0.00002 0.00000 51 7 B 1S -0.00002 -0.00001 -0.00002 -0.00004 -0.00007 52 2S 0.00039 0.00028 0.00029 0.00058 0.00100 53 2PX 0.00084 0.00020 -0.00001 -0.00001 0.00084 54 2PY -0.00052 0.00085 0.00000 0.00108 0.00024 55 2PZ 0.00118 -0.00016 0.00005 0.00018 0.00029 56 3S 0.00029 0.00022 0.00001 0.00019 0.00030 57 3PX 0.00061 0.00004 0.00010 0.00021 -0.00009 58 3PY -0.00099 0.00041 0.00001 0.00002 0.00002 59 3PZ 0.00092 -0.00010 0.00002 -0.00002 -0.00003 60 4XX 0.00006 -0.00002 0.00000 -0.00001 0.00008 61 4YY -0.00002 0.00007 0.00001 0.00012 -0.00003 62 4ZZ -0.00001 0.00000 0.00000 0.00001 0.00003 63 4XY 0.00000 0.00005 0.00000 -0.00001 0.00001 64 4XZ 0.00006 -0.00001 0.00000 0.00000 0.00003 65 4YZ 0.00003 0.00000 0.00001 0.00002 0.00000 66 8 B 1S 0.00000 -0.00004 0.00000 -0.00008 -0.00004 67 2S -0.00020 0.00088 0.00009 0.00106 0.00050 68 2PX 0.00018 0.00135 -0.00003 0.00001 0.00079 69 2PY -0.00004 0.00031 0.00008 0.00065 0.00014 70 2PZ 0.00004 0.00010 -0.00011 0.00076 0.00034 71 3S -0.00036 0.00069 -0.00003 0.00030 0.00016 72 3PX 0.00080 0.00023 0.00001 0.00012 0.00002 73 3PY -0.00026 -0.00021 0.00007 -0.00008 0.00039 74 3PZ -0.00028 0.00016 -0.00003 0.00006 0.00003 75 4XX 0.00001 0.00009 0.00000 -0.00002 0.00009 76 4YY -0.00001 -0.00001 0.00000 0.00006 0.00000 77 4ZZ -0.00001 0.00001 -0.00001 0.00006 0.00001 78 4XY 0.00000 0.00004 0.00000 0.00000 0.00001 79 4XZ 0.00001 0.00003 0.00000 0.00000 0.00003 80 4YZ 0.00000 -0.00001 0.00000 0.00005 0.00000 81 9 B 1S 0.00000 -0.00007 0.00000 -0.00006 -0.00004 82 2S -0.00020 0.00135 0.00002 0.00083 0.00053 83 2PX 0.00013 0.00114 0.00000 -0.00001 0.00060 84 2PY -0.00003 0.00053 0.00006 0.00055 0.00020 85 2PZ 0.00008 0.00060 -0.00017 0.00085 0.00051 86 3S -0.00035 0.00100 -0.00003 0.00023 0.00015 87 3PX 0.00065 -0.00009 0.00001 0.00031 0.00000 88 3PY -0.00025 -0.00028 0.00003 -0.00004 0.00045 89 3PZ -0.00013 0.00039 -0.00004 0.00008 0.00004 90 4XX 0.00000 0.00005 0.00000 -0.00001 0.00007 91 4YY -0.00001 0.00000 0.00000 0.00006 0.00000 92 4ZZ -0.00001 0.00004 -0.00001 0.00006 0.00002 93 4XY 0.00000 0.00003 0.00000 0.00000 0.00001 94 4XZ 0.00001 0.00004 0.00000 -0.00001 0.00005 95 4YZ 0.00000 0.00001 0.00000 0.00006 0.00001 96 10 B 1S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2S -0.00003 0.00016 0.00000 0.00000 0.00002 98 2PX 0.00000 0.00001 0.00000 0.00004 0.00000 99 2PY 0.00000 0.00004 0.00000 0.00000 0.00002 100 2PZ -0.00008 0.00046 0.00000 0.00001 0.00008 101 3S -0.00018 0.00036 0.00000 0.00000 0.00003 102 3PX 0.00000 0.00000 0.00000 -0.00003 0.00000 103 3PY 0.00001 -0.00002 0.00000 0.00000 -0.00002 104 3PZ 0.00033 -0.00010 0.00000 0.00000 -0.00003 105 4XX 0.00000 0.00000 0.00000 0.00000 0.00000 106 4YY 0.00000 0.00000 0.00000 0.00000 0.00000 107 4ZZ 0.00000 0.00002 0.00000 0.00000 0.00001 108 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 109 4XZ 0.00000 0.00000 0.00000 0.00001 0.00000 110 4YZ 0.00000 0.00001 0.00000 0.00000 0.00000 111 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 112 2S 0.00001 -0.00003 0.00000 0.00000 0.00000 113 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 114 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 115 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 12 H 1S -0.00049 0.00311 0.00000 0.00005 0.00035 117 2S -0.00304 0.00421 0.00000 0.00002 0.00018 118 3PX 0.00000 0.00000 0.00000 -0.00007 0.00000 119 3PY 0.00000 -0.00001 0.00000 0.00000 -0.00006 120 3PZ -0.00002 0.00010 0.00000 0.00000 0.00001 36 37 38 39 40 36 6 B 1S 2.04182 37 2S 0.00133 0.22025 38 2PX 0.00000 0.00000 0.25002 39 2PY 0.00000 0.00000 0.00000 0.24949 40 2PZ 0.00000 0.00000 0.00000 0.00000 0.23964 41 3S -0.02814 0.05211 0.00000 0.00000 0.00000 42 3PX 0.00000 0.00000 0.04581 0.00000 0.00000 43 3PY 0.00000 0.00000 0.00000 0.04732 0.00000 44 3PZ 0.00000 0.00000 0.00000 0.00000 0.07581 45 4XX -0.00166 0.00262 0.00000 0.00000 0.00000 46 4YY -0.00165 0.00245 0.00000 0.00000 0.00000 47 4ZZ -0.00150 -0.00084 0.00000 0.00000 0.00000 48 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 49 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 50 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 51 7 B 1S 0.00000 -0.00025 -0.00155 0.00000 0.00000 52 2S -0.00025 0.00557 0.02374 0.00007 0.00004 53 2PX -0.00154 0.02369 0.05697 0.00022 0.00030 54 2PY 0.00000 -0.00006 -0.00019 0.00225 -0.00001 55 2PZ -0.00001 0.00021 0.00086 0.00000 0.00780 56 3S 0.00035 0.00905 0.01086 0.00011 -0.00010 57 3PX -0.00050 0.01668 0.00795 0.00011 0.00001 58 3PY 0.00002 -0.00012 -0.00037 0.01158 0.00000 59 3PZ -0.00003 0.00025 0.00068 0.00000 0.00658 60 4XX -0.00016 0.00296 0.00342 0.00000 0.00009 61 4YY 0.00000 -0.00039 -0.00071 0.00000 0.00000 62 4ZZ 0.00000 -0.00015 0.00025 0.00000 0.00001 63 4XY 0.00000 0.00000 0.00002 0.00082 0.00000 64 4XZ 0.00000 0.00002 0.00004 0.00000 0.00165 65 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 8 B 1S 0.00000 -0.00025 0.00000 -0.00150 -0.00005 67 2S -0.00025 0.00557 0.00003 0.02297 0.00085 68 2PX 0.00000 -0.00002 0.00204 -0.00007 0.00000 69 2PY -0.00149 0.02285 0.00008 0.05171 0.00390 70 2PZ -0.00007 0.00102 0.00000 0.00446 0.00609 71 3S 0.00035 0.00905 0.00004 0.01056 0.00027 72 3PX 0.00001 -0.00005 0.01166 -0.00014 -0.00001 73 3PY -0.00048 0.01604 0.00004 0.00686 0.00096 74 3PZ -0.00004 0.00082 0.00000 0.00163 0.00551 75 4XX 0.00000 -0.00040 0.00000 -0.00072 -0.00003 76 4YY -0.00015 0.00277 0.00000 0.00285 0.00062 77 4ZZ 0.00000 -0.00011 0.00000 0.00044 0.00002 78 4XY 0.00000 0.00000 0.00076 0.00001 0.00000 79 4XZ 0.00000 0.00000 0.00003 0.00000 0.00000 80 4YZ -0.00001 0.00019 0.00000 0.00040 0.00121 81 9 B 1S 0.00000 0.00001 0.00001 0.00001 0.00000 82 2S 0.00001 -0.00110 -0.00082 -0.00078 -0.00006 83 2PX 0.00001 -0.00082 0.00066 -0.00219 -0.00017 84 2PY 0.00001 -0.00078 -0.00219 0.00070 -0.00016 85 2PZ 0.00000 -0.00006 -0.00017 -0.00016 -0.00054 86 3S -0.00003 -0.00269 -0.00452 -0.00431 -0.00034 87 3PX -0.00059 0.00338 0.00447 -0.00148 -0.00012 88 3PY -0.00056 0.00323 -0.00148 0.00409 -0.00011 89 3PZ -0.00004 0.00025 -0.00011 -0.00011 -0.00429 90 4XX 0.00000 0.00000 -0.00003 0.00008 0.00001 91 4YY 0.00000 0.00000 0.00007 -0.00004 0.00001 92 4ZZ 0.00000 -0.00003 -0.00004 -0.00004 0.00000 93 4XY 0.00000 0.00014 0.00019 0.00017 0.00002 94 4XZ 0.00000 0.00001 0.00001 0.00002 0.00001 95 4YZ 0.00000 0.00001 0.00002 0.00001 0.00001 96 10 B 1S 0.00000 -0.00025 -0.00020 -0.00009 -0.00127 97 2S -0.00025 0.00557 0.00322 0.00152 0.01910 98 2PX -0.00042 0.00622 0.00020 0.00377 0.01708 99 2PY -0.00028 0.00416 0.00430 0.00137 0.01035 100 2PZ -0.00085 0.01346 0.00693 0.00240 0.02180 101 3S 0.00035 0.00905 -0.00054 -0.00108 0.01250 102 3PX -0.00049 0.00614 0.00131 0.00080 0.01222 103 3PY -0.00041 0.00449 0.00144 0.00313 0.00940 104 3PZ 0.00039 0.00619 0.00010 -0.00010 -0.00178 105 4XX 0.00000 -0.00009 -0.00016 0.00020 0.00049 106 4YY 0.00000 -0.00020 0.00013 -0.00003 0.00008 107 4ZZ -0.00007 0.00135 0.00114 0.00053 0.00060 108 4XY 0.00000 0.00002 0.00000 0.00006 -0.00017 109 4XZ -0.00006 0.00083 -0.00001 0.00055 0.00085 110 4YZ -0.00004 0.00053 0.00060 0.00020 0.00051 111 11 H 1S 0.00000 -0.00003 0.00000 0.00000 -0.00012 112 2S 0.00005 -0.00133 -0.00004 0.00009 -0.00651 113 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 114 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 115 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 12 H 1S 0.00000 -0.00003 -0.00001 -0.00002 -0.00009 117 2S 0.00005 -0.00133 -0.00044 -0.00096 -0.00506 118 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 119 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 120 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 41 42 43 44 45 41 3S 0.07020 42 3PX 0.00000 0.05925 43 3PY 0.00000 0.00000 0.05980 44 3PZ 0.00000 0.00000 0.00000 0.07040 45 4XX 0.00164 0.00000 0.00000 0.00000 0.00123 46 4YY 0.00168 0.00000 0.00000 0.00000 -0.00020 47 4ZZ 0.00244 0.00000 0.00000 0.00000 0.00000 48 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 49 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 50 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 51 7 B 1S 0.00035 -0.00052 -0.00002 0.00002 -0.00016 52 2S 0.00905 0.01677 0.00012 -0.00008 0.00295 53 2PX 0.01077 0.00806 0.00038 -0.00037 0.00341 54 2PY -0.00011 -0.00010 0.01131 0.00000 0.00000 55 2PZ 0.00022 0.00030 0.00000 0.00695 0.00009 56 3S 0.00764 0.00439 0.00011 -0.00013 0.00173 57 3PX 0.00431 0.00172 0.00024 -0.00025 -0.00025 58 3PY -0.00011 -0.00023 0.02099 0.00000 -0.00004 59 3PZ 0.00018 0.00041 0.00000 0.00649 0.00009 60 4XX 0.00174 -0.00022 0.00004 -0.00002 0.00026 61 4YY -0.00086 0.00005 -0.00001 0.00004 0.00000 62 4ZZ -0.00006 0.00047 0.00000 -0.00002 0.00001 63 4XY 0.00000 0.00000 0.00022 0.00000 0.00000 64 4XZ 0.00000 0.00000 0.00000 0.00095 0.00001 65 4YZ 0.00000 0.00000 -0.00001 0.00000 0.00000 66 8 B 1S 0.00035 -0.00001 -0.00051 0.00000 0.00000 67 2S 0.00905 0.00005 0.01628 0.00049 -0.00040 68 2PX -0.00004 0.01156 -0.00004 0.00000 0.00000 69 2PY 0.01033 0.00014 0.00712 0.00061 -0.00072 70 2PZ 0.00058 0.00001 0.00128 0.00585 -0.00003 71 3S 0.00765 0.00004 0.00432 0.00001 -0.00090 72 3PX -0.00004 0.02152 -0.00009 0.00000 0.00000 73 3PY 0.00409 0.00009 0.00138 0.00023 0.00009 74 3PZ 0.00033 0.00000 0.00089 0.00534 -0.00004 75 4XX -0.00090 0.00000 0.00002 0.00005 0.00000 76 4YY 0.00166 0.00001 -0.00033 0.00020 -0.00001 77 4ZZ 0.00001 0.00000 0.00061 -0.00011 -0.00001 78 4XY 0.00000 0.00020 0.00000 0.00000 0.00000 79 4XZ 0.00000 -0.00001 0.00000 0.00000 0.00000 80 4YZ 0.00004 0.00000 0.00003 0.00082 0.00000 81 9 B 1S -0.00003 -0.00059 -0.00056 -0.00004 0.00000 82 2S -0.00269 0.00338 0.00323 0.00025 0.00000 83 2PX -0.00452 0.00447 -0.00148 -0.00011 -0.00003 84 2PY -0.00431 -0.00148 0.00409 -0.00011 0.00008 85 2PZ -0.00033 -0.00012 -0.00011 -0.00429 0.00001 86 3S -0.00668 0.00373 0.00356 0.00028 0.00001 87 3PX 0.00373 0.00197 -0.00831 -0.00065 0.00012 88 3PY 0.00356 -0.00831 0.00169 -0.00062 0.00003 89 3PZ 0.00028 -0.00065 -0.00062 -0.01055 0.00000 90 4XX 0.00001 0.00012 0.00003 0.00000 -0.00001 91 4YY 0.00000 0.00004 0.00012 0.00000 0.00002 92 4ZZ -0.00018 0.00017 0.00016 0.00001 0.00000 93 4XY 0.00017 -0.00005 -0.00005 -0.00001 0.00000 94 4XZ 0.00001 0.00000 -0.00001 -0.00001 0.00000 95 4YZ 0.00001 -0.00001 0.00000 -0.00001 0.00000 96 10 B 1S 0.00035 0.00029 0.00028 -0.00108 0.00000 97 2S 0.00905 0.00052 -0.00048 0.01678 -0.00001 98 2PX 0.00484 0.00502 -0.00111 0.01021 -0.00008 99 2PY 0.00367 -0.00047 0.00731 0.00695 0.00034 100 2PZ 0.00235 -0.00191 -0.00256 0.00308 0.00049 101 3S 0.00765 -0.00181 -0.00184 0.00802 0.00007 102 3PX 0.00353 0.00623 -0.00108 0.01030 -0.00018 103 3PY 0.00288 -0.00046 0.00903 0.00795 0.00024 104 3PZ -0.00204 -0.00152 -0.00132 0.00023 0.00044 105 4XX -0.00019 -0.00047 0.00050 0.00034 -0.00001 106 4YY -0.00035 0.00065 -0.00025 -0.00013 0.00000 107 4ZZ 0.00100 -0.00009 -0.00028 0.00039 0.00005 108 4XY -0.00003 0.00001 0.00003 -0.00004 0.00000 109 4XZ 0.00023 0.00031 -0.00004 0.00008 -0.00001 110 4YZ 0.00015 0.00000 0.00045 0.00004 0.00007 111 11 H 1S 0.00056 0.00017 0.00009 0.00037 0.00000 112 2S 0.00246 0.00079 0.00049 -0.00451 -0.00004 113 3PX 0.00000 0.00000 0.00000 0.00003 0.00000 114 3PY 0.00000 0.00000 0.00001 0.00001 0.00000 115 3PZ 0.00002 0.00000 0.00000 0.00005 0.00000 116 12 H 1S 0.00056 0.00028 0.00035 0.00000 0.00000 117 2S 0.00246 0.00089 0.00076 -0.00488 -0.00008 118 3PX 0.00001 0.00000 0.00000 0.00004 0.00000 119 3PY 0.00001 0.00000 0.00000 0.00005 0.00000 120 3PZ 0.00001 0.00001 0.00001 -0.00001 0.00000 46 47 48 49 50 46 4YY 0.00124 47 4ZZ 0.00000 0.00070 48 4XY 0.00000 0.00000 0.00071 49 4XZ 0.00000 0.00000 0.00000 0.00096 50 4YZ 0.00000 0.00000 0.00000 0.00000 0.00091 51 7 B 1S 0.00000 0.00000 0.00000 0.00000 0.00000 52 2S -0.00039 -0.00014 0.00000 0.00003 0.00000 53 2PX -0.00071 0.00026 -0.00001 0.00008 0.00000 54 2PY 0.00000 0.00000 0.00082 0.00000 0.00001 55 2PZ 0.00000 0.00000 0.00000 0.00165 0.00000 56 3S -0.00087 -0.00005 0.00000 0.00001 0.00000 57 3PX 0.00010 0.00045 0.00000 0.00001 0.00000 58 3PY 0.00001 0.00000 0.00023 0.00000 0.00002 59 3PZ -0.00004 0.00000 0.00000 0.00093 0.00000 60 4XX -0.00001 0.00002 0.00000 0.00001 0.00000 61 4YY 0.00000 -0.00001 0.00000 0.00000 0.00000 62 4ZZ -0.00001 0.00001 0.00000 0.00000 0.00000 63 4XY 0.00000 0.00000 0.00002 0.00000 0.00000 64 4XZ 0.00000 0.00000 0.00000 0.00018 0.00000 65 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 8 B 1S -0.00015 0.00000 0.00000 0.00000 -0.00001 67 2S 0.00276 -0.00011 0.00000 0.00000 0.00020 68 2PX 0.00000 0.00000 0.00076 0.00004 0.00000 69 2PY 0.00281 0.00045 -0.00001 0.00000 0.00045 70 2PZ 0.00062 0.00001 0.00000 0.00000 0.00121 71 3S 0.00165 0.00002 0.00000 0.00000 0.00005 72 3PX -0.00001 0.00000 0.00018 0.00002 0.00000 73 3PY -0.00039 0.00059 0.00000 0.00000 0.00003 74 3PZ 0.00030 -0.00008 0.00000 0.00000 0.00081 75 4XX -0.00001 -0.00001 0.00000 0.00000 0.00000 76 4YY 0.00019 0.00004 0.00000 0.00000 0.00006 77 4ZZ 0.00003 0.00001 0.00000 0.00000 0.00001 78 4XY 0.00000 0.00000 0.00001 0.00000 0.00000 79 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 4YZ 0.00006 0.00001 0.00000 0.00000 0.00011 81 9 B 1S 0.00000 0.00000 0.00000 0.00000 0.00000 82 2S 0.00000 -0.00003 0.00014 0.00001 0.00001 83 2PX 0.00007 -0.00004 0.00019 0.00001 0.00002 84 2PY -0.00004 -0.00004 0.00017 0.00002 0.00001 85 2PZ 0.00001 0.00000 0.00002 0.00001 0.00001 86 3S 0.00000 -0.00018 0.00017 0.00001 0.00001 87 3PX 0.00004 0.00017 -0.00005 0.00000 -0.00001 88 3PY 0.00012 0.00016 -0.00005 -0.00001 0.00000 89 3PZ 0.00000 0.00001 -0.00001 -0.00001 -0.00001 90 4XX 0.00002 0.00000 0.00000 0.00000 0.00000 91 4YY -0.00001 0.00000 0.00000 0.00000 0.00000 92 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 93 4XY 0.00000 0.00000 0.00001 0.00000 0.00000 94 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 10 B 1S 0.00000 -0.00005 0.00000 -0.00007 -0.00004 97 2S -0.00014 0.00107 0.00007 0.00087 0.00059 98 2PX 0.00026 0.00089 0.00000 -0.00001 0.00068 99 2PY -0.00002 0.00038 0.00008 0.00058 0.00020 100 2PZ 0.00007 -0.00019 0.00012 0.00109 0.00071 101 3S -0.00013 0.00040 0.00000 0.00027 0.00020 102 3PX 0.00010 0.00059 0.00001 0.00009 0.00022 103 3PY -0.00012 0.00026 0.00006 0.00023 0.00012 104 3PZ 0.00046 -0.00093 0.00002 -0.00006 -0.00006 105 4XX 0.00001 0.00000 0.00000 0.00000 0.00002 106 4YY -0.00001 -0.00001 0.00000 0.00001 0.00000 107 4ZZ 0.00000 0.00004 0.00003 0.00004 0.00001 108 4XY 0.00000 -0.00001 0.00000 0.00000 0.00000 109 4XZ 0.00006 0.00006 0.00000 -0.00001 0.00006 110 4YZ 0.00000 0.00002 0.00001 0.00005 0.00001 111 11 H 1S 0.00000 0.00001 0.00000 0.00000 0.00000 112 2S 0.00000 0.00018 0.00000 -0.00010 -0.00006 113 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 114 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 115 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 12 H 1S 0.00000 0.00001 0.00000 0.00000 0.00000 117 2S -0.00012 0.00037 -0.00003 -0.00009 -0.00008 118 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 119 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 120 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 51 52 53 54 55 51 7 B 1S 2.04182 52 2S 0.00133 0.22024 53 2PX 0.00000 0.00000 0.25020 54 2PY 0.00000 0.00000 0.00000 0.24996 55 2PZ 0.00000 0.00000 0.00000 0.00000 0.23898 56 3S -0.02814 0.05212 0.00000 0.00000 0.00000 57 3PX 0.00000 0.00000 0.04527 0.00000 0.00000 58 3PY 0.00000 0.00000 0.00000 0.04597 0.00000 59 3PZ 0.00000 0.00000 0.00000 0.00000 0.07770 60 4XX -0.00166 0.00268 0.00000 0.00000 0.00000 61 4YY -0.00165 0.00260 0.00000 0.00000 0.00000 62 4ZZ -0.00149 -0.00105 0.00000 0.00000 0.00000 63 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 64 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 65 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 8 B 1S 0.00000 0.00001 0.00001 0.00001 0.00000 67 2S 0.00001 -0.00110 -0.00083 -0.00081 -0.00001 68 2PX 0.00001 -0.00083 0.00065 -0.00232 -0.00004 69 2PY 0.00001 -0.00081 -0.00232 0.00067 -0.00004 70 2PZ 0.00000 -0.00001 -0.00004 -0.00004 -0.00075 71 3S -0.00003 -0.00269 -0.00459 -0.00449 -0.00007 72 3PX -0.00060 0.00344 0.00460 -0.00157 -0.00003 73 3PY -0.00059 0.00337 -0.00157 0.00443 -0.00002 74 3PZ -0.00001 0.00005 -0.00003 -0.00002 -0.00493 75 4XX 0.00000 0.00000 -0.00003 0.00009 0.00000 76 4YY 0.00000 0.00000 0.00008 -0.00003 0.00000 77 4ZZ 0.00000 -0.00003 -0.00004 -0.00004 0.00000 78 4XY 0.00000 0.00015 0.00021 0.00020 0.00001 79 4XZ 0.00000 0.00000 0.00000 0.00001 0.00002 80 4YZ 0.00000 0.00000 0.00001 0.00000 0.00002 81 9 B 1S 0.00000 -0.00025 0.00000 -0.00149 -0.00007 82 2S -0.00025 0.00557 -0.00002 0.02285 0.00102 83 2PX 0.00000 0.00003 0.00204 0.00008 0.00000 84 2PY -0.00150 0.02297 -0.00007 0.05171 0.00446 85 2PZ -0.00005 0.00085 0.00000 0.00390 0.00609 86 3S 0.00035 0.00905 -0.00004 0.01033 0.00058 87 3PX -0.00001 0.00005 0.01156 0.00014 0.00001 88 3PY -0.00051 0.01628 -0.00004 0.00712 0.00128 89 3PZ 0.00000 0.00049 0.00000 0.00061 0.00585 90 4XX 0.00000 -0.00040 0.00000 -0.00072 -0.00003 91 4YY -0.00015 0.00276 0.00000 0.00281 0.00062 92 4ZZ 0.00000 -0.00011 0.00000 0.00045 0.00001 93 4XY 0.00000 0.00000 0.00076 -0.00001 0.00000 94 4XZ 0.00000 0.00000 0.00004 0.00000 0.00000 95 4YZ -0.00001 0.00020 0.00000 0.00045 0.00121 96 10 B 1S 0.00000 -0.00025 -0.00036 -0.00009 -0.00110 97 2S -0.00025 0.00557 0.00575 0.00163 0.01646 98 2PX -0.00059 0.00880 0.00027 0.00505 0.02174 99 2PY -0.00030 0.00440 0.00653 0.00115 0.00882 100 2PZ -0.00067 0.01064 0.01048 0.00140 0.01275 101 3S 0.00035 0.00905 0.00058 -0.00112 0.01141 102 3PX -0.00055 0.00799 0.00005 0.00103 0.01302 103 3PY -0.00043 0.00473 0.00279 0.00294 0.00856 104 3PZ 0.00047 0.00410 -0.00042 -0.00030 -0.00115 105 4XX -0.00001 0.00013 -0.00037 0.00038 0.00101 106 4YY 0.00000 -0.00020 0.00018 -0.00004 0.00004 107 4ZZ -0.00004 0.00088 0.00135 0.00031 0.00010 108 4XY 0.00000 0.00009 -0.00003 0.00008 -0.00011 109 4XZ -0.00008 0.00106 0.00001 0.00065 0.00076 110 4YZ -0.00004 0.00050 0.00079 0.00014 0.00034 111 11 H 1S 0.00000 -0.00003 -0.00001 0.00000 -0.00011 112 2S 0.00005 -0.00133 -0.00045 0.00009 -0.00611 113 3PX 0.00000 0.00000 0.00000 0.00000 0.00001 114 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 115 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 12 H 1S 0.00000 -0.00003 0.00000 -0.00002 -0.00010 117 2S 0.00005 -0.00133 -0.00004 -0.00098 -0.00544 118 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 119 3PY 0.00000 0.00000 0.00000 0.00000 0.00001 120 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 56 57 58 59 60 56 3S 0.07020 57 3PX 0.00000 0.05904 58 3PY 0.00000 0.00000 0.05931 59 3PZ 0.00000 0.00000 0.00000 0.07110 60 4XX 0.00163 0.00000 0.00000 0.00000 0.00123 61 4YY 0.00165 0.00000 0.00000 0.00000 -0.00020 62 4ZZ 0.00250 0.00000 0.00000 0.00000 0.00000 63 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 64 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 65 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 8 B 1S -0.00003 -0.00060 -0.00059 -0.00001 0.00000 67 2S -0.00269 0.00344 0.00337 0.00005 0.00000 68 2PX -0.00459 0.00460 -0.00157 -0.00003 -0.00003 69 2PY -0.00449 -0.00157 0.00443 -0.00002 0.00009 70 2PZ -0.00007 -0.00003 -0.00002 -0.00493 0.00000 71 3S -0.00668 0.00379 0.00371 0.00006 0.00001 72 3PX 0.00379 0.00205 -0.00882 -0.00014 0.00012 73 3PY 0.00371 -0.00882 0.00194 -0.00014 0.00003 74 3PZ 0.00006 -0.00014 -0.00014 -0.01184 0.00000 75 4XX 0.00001 0.00012 0.00003 0.00000 -0.00001 76 4YY 0.00001 0.00003 0.00012 0.00000 0.00002 77 4ZZ -0.00019 0.00018 0.00017 0.00000 0.00000 78 4XY 0.00019 -0.00006 -0.00006 0.00000 0.00000 79 4XZ 0.00000 0.00000 0.00000 -0.00002 0.00000 80 4YZ 0.00000 0.00000 0.00000 -0.00002 0.00000 81 9 B 1S 0.00035 0.00001 -0.00048 -0.00004 0.00000 82 2S 0.00905 -0.00005 0.01604 0.00082 -0.00040 83 2PX 0.00004 0.01166 0.00004 0.00000 0.00000 84 2PY 0.01056 -0.00014 0.00686 0.00163 -0.00072 85 2PZ 0.00027 -0.00001 0.00096 0.00551 -0.00003 86 3S 0.00765 -0.00004 0.00409 0.00033 -0.00090 87 3PX 0.00004 0.02152 0.00009 0.00000 0.00000 88 3PY 0.00432 -0.00009 0.00138 0.00089 0.00002 89 3PZ 0.00001 0.00000 0.00023 0.00534 0.00005 90 4XX -0.00090 0.00000 0.00009 -0.00004 0.00000 91 4YY 0.00165 -0.00001 -0.00039 0.00030 -0.00001 92 4ZZ 0.00002 0.00000 0.00059 -0.00008 -0.00001 93 4XY 0.00000 0.00018 0.00000 0.00000 0.00000 94 4XZ 0.00000 0.00002 0.00000 0.00000 0.00000 95 4YZ 0.00005 0.00000 0.00003 0.00081 0.00000 96 10 B 1S 0.00035 0.00024 0.00030 -0.00105 -0.00001 97 2S 0.00905 0.00227 -0.00048 0.01502 0.00023 98 2PX 0.00606 0.00241 -0.00164 0.01311 -0.00020 99 2PY 0.00387 0.00013 0.00723 0.00674 0.00056 100 2PZ 0.00095 -0.00032 -0.00211 0.00098 0.00096 101 3S 0.00765 -0.00138 -0.00192 0.00767 0.00033 102 3PX 0.00405 0.00340 -0.00148 0.01163 -0.00027 103 3PY 0.00303 0.00024 0.00903 0.00767 0.00048 104 3PZ -0.00270 -0.00148 -0.00098 0.00135 0.00032 105 4XX 0.00005 -0.00076 0.00047 0.00077 -0.00001 106 4YY -0.00036 0.00080 -0.00026 -0.00028 0.00001 107 4ZZ 0.00069 0.00023 -0.00021 0.00016 0.00009 108 4XY -0.00003 0.00001 0.00007 -0.00003 0.00000 109 4XZ 0.00030 0.00012 -0.00008 0.00006 -0.00002 110 4YZ 0.00016 0.00002 0.00039 0.00003 0.00009 111 11 H 1S 0.00056 0.00028 0.00009 0.00025 0.00000 112 2S 0.00246 0.00090 0.00053 -0.00466 -0.00008 113 3PX 0.00001 0.00000 0.00000 0.00005 0.00000 114 3PY 0.00000 0.00000 0.00001 0.00001 0.00000 115 3PZ 0.00002 0.00001 0.00000 0.00003 0.00000 116 12 H 1S 0.00056 0.00018 0.00037 0.00008 0.00000 117 2S 0.00246 0.00080 0.00080 -0.00483 -0.00004 118 3PX 0.00000 0.00000 0.00000 0.00003 0.00000 119 3PY 0.00001 0.00000 0.00000 0.00006 0.00000 120 3PZ 0.00001 0.00000 0.00001 0.00000 0.00000 61 62 63 64 65 61 4YY 0.00125 62 4ZZ 0.00000 0.00069 63 4XY 0.00000 0.00000 0.00072 64 4XZ 0.00000 0.00000 0.00000 0.00095 65 4YZ 0.00000 0.00000 0.00000 0.00000 0.00091 66 8 B 1S 0.00000 0.00000 0.00000 0.00000 0.00000 67 2S 0.00000 -0.00003 0.00015 0.00000 0.00000 68 2PX 0.00008 -0.00004 0.00021 0.00000 0.00001 69 2PY -0.00003 -0.00004 0.00020 0.00001 0.00000 70 2PZ 0.00000 0.00000 0.00001 0.00002 0.00002 71 3S 0.00001 -0.00019 0.00019 0.00000 0.00000 72 3PX 0.00003 0.00018 -0.00006 0.00000 0.00000 73 3PY 0.00012 0.00017 -0.00006 0.00000 0.00000 74 3PZ 0.00000 0.00000 0.00000 -0.00002 -0.00002 75 4XX 0.00002 0.00000 0.00000 0.00000 0.00000 76 4YY -0.00001 0.00000 0.00000 0.00000 0.00000 77 4ZZ 0.00000 0.00000 0.00000 0.00000 0.00000 78 4XY 0.00000 0.00000 0.00001 0.00000 0.00000 79 4XZ 0.00000 0.00000 0.00000 0.00000 0.00001 80 4YZ 0.00000 0.00000 0.00000 0.00001 0.00000 81 9 B 1S -0.00015 0.00000 0.00000 0.00000 -0.00001 82 2S 0.00277 -0.00011 0.00000 0.00000 0.00019 83 2PX 0.00000 0.00000 0.00076 0.00003 0.00000 84 2PY 0.00285 0.00044 0.00001 0.00000 0.00040 85 2PZ 0.00062 0.00002 0.00000 0.00000 0.00121 86 3S 0.00166 0.00001 0.00000 0.00000 0.00004 87 3PX 0.00001 0.00000 0.00020 -0.00001 0.00000 88 3PY -0.00033 0.00061 0.00000 0.00000 0.00003 89 3PZ 0.00020 -0.00011 0.00000 0.00000 0.00082 90 4XX -0.00001 -0.00001 0.00000 0.00000 0.00000 91 4YY 0.00019 0.00003 0.00000 0.00000 0.00006 92 4ZZ 0.00004 0.00001 0.00000 0.00000 0.00001 93 4XY 0.00000 0.00000 0.00001 0.00000 0.00000 94 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 4YZ 0.00006 0.00001 0.00000 0.00000 0.00011 96 10 B 1S 0.00000 -0.00003 -0.00001 -0.00008 -0.00004 97 2S -0.00013 0.00062 0.00015 0.00105 0.00054 98 2PX 0.00034 0.00102 -0.00001 -0.00006 0.00090 99 2PY -0.00002 0.00016 0.00010 0.00062 0.00014 100 2PZ 0.00001 -0.00050 0.00025 0.00091 0.00043 101 3S -0.00013 0.00011 0.00002 0.00030 0.00019 102 3PX 0.00018 0.00066 -0.00001 0.00004 0.00024 103 3PY -0.00013 0.00002 0.00008 0.00026 0.00008 104 3PZ 0.00040 -0.00076 0.00000 -0.00005 -0.00004 105 4XX 0.00002 0.00000 0.00000 0.00001 0.00004 106 4YY -0.00001 -0.00001 0.00000 0.00001 0.00000 107 4ZZ -0.00001 0.00001 0.00004 0.00003 -0.00001 108 4XY 0.00000 -0.00001 0.00000 0.00000 0.00000 109 4XZ 0.00006 0.00006 0.00000 0.00000 0.00005 110 4YZ 0.00000 0.00001 0.00001 0.00003 0.00000 111 11 H 1S 0.00000 0.00001 0.00000 0.00000 0.00000 112 2S 0.00000 0.00024 0.00000 -0.00012 -0.00006 113 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 114 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 115 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 12 H 1S 0.00000 0.00001 0.00000 0.00000 0.00000 117 2S -0.00012 0.00033 -0.00002 -0.00008 -0.00009 118 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 119 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 120 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 66 67 68 69 70 66 8 B 1S 2.04182 67 2S 0.00133 0.22024 68 2PX 0.00000 0.00000 0.25020 69 2PY 0.00000 0.00000 0.00000 0.24996 70 2PZ 0.00000 0.00000 0.00000 0.00000 0.23899 71 3S -0.02814 0.05211 0.00000 0.00000 0.00000 72 3PX 0.00000 0.00000 0.04527 0.00000 0.00000 73 3PY 0.00000 0.00000 0.00000 0.04597 0.00000 74 3PZ 0.00000 0.00000 0.00000 0.00000 0.07770 75 4XX -0.00166 0.00268 0.00000 0.00000 0.00000 76 4YY -0.00165 0.00260 0.00000 0.00000 0.00000 77 4ZZ -0.00149 -0.00105 0.00000 0.00000 0.00000 78 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 79 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 9 B 1S 0.00000 -0.00025 -0.00154 0.00000 -0.00001 82 2S -0.00025 0.00557 0.02369 -0.00006 0.00021 83 2PX -0.00155 0.02374 0.05697 -0.00019 0.00086 84 2PY 0.00000 0.00007 0.00022 0.00225 0.00000 85 2PZ 0.00000 0.00004 0.00030 -0.00001 0.00780 86 3S 0.00035 0.00905 0.01077 -0.00011 0.00022 87 3PX -0.00052 0.01677 0.00806 -0.00010 0.00030 88 3PY -0.00002 0.00012 0.00038 0.01131 0.00000 89 3PZ 0.00002 -0.00008 -0.00037 0.00000 0.00695 90 4XX -0.00016 0.00295 0.00341 0.00000 0.00009 91 4YY 0.00000 -0.00039 -0.00071 0.00000 0.00000 92 4ZZ 0.00000 -0.00014 0.00026 0.00000 0.00000 93 4XY 0.00000 0.00000 -0.00001 0.00082 0.00000 94 4XZ 0.00000 0.00003 0.00008 0.00000 0.00165 95 4YZ 0.00000 0.00000 0.00000 0.00001 0.00000 96 10 B 1S 0.00000 -0.00025 -0.00020 -0.00052 -0.00083 97 2S -0.00025 0.00557 0.00328 0.00823 0.01233 98 2PX -0.00043 0.00633 0.00017 0.01161 0.00950 99 2PY -0.00073 0.01100 0.00947 0.00214 0.02035 100 2PZ -0.00040 0.00651 0.00188 0.00930 0.00378 101 3S 0.00035 0.00905 -0.00055 0.00190 0.00953 102 3PX -0.00050 0.00625 0.00125 0.00506 0.00815 103 3PY -0.00057 0.00939 0.00250 -0.00023 0.01106 104 3PZ 0.00056 0.00118 -0.00096 -0.00212 0.00182 105 4XX 0.00000 -0.00008 -0.00016 0.00049 0.00020 106 4YY -0.00002 0.00039 0.00084 -0.00052 0.00118 107 4ZZ -0.00001 0.00028 0.00020 0.00085 -0.00016 108 4XY -0.00002 0.00029 -0.00001 0.00000 0.00005 109 4XZ -0.00004 0.00058 -0.00001 0.00108 0.00018 110 4YZ -0.00007 0.00100 0.00084 0.00024 0.00029 111 11 H 1S 0.00000 -0.00003 0.00000 -0.00002 -0.00010 112 2S 0.00005 -0.00133 -0.00004 -0.00098 -0.00544 113 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 114 3PY 0.00000 0.00000 0.00000 0.00000 0.00001 115 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 12 H 1S 0.00000 -0.00003 -0.00001 0.00000 -0.00011 117 2S 0.00005 -0.00133 -0.00045 0.00009 -0.00611 118 3PX 0.00000 0.00000 0.00000 0.00000 0.00001 119 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 120 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 71 72 73 74 75 71 3S 0.07020 72 3PX 0.00000 0.05904 73 3PY 0.00000 0.00000 0.05931 74 3PZ 0.00000 0.00000 0.00000 0.07110 75 4XX 0.00163 0.00000 0.00000 0.00000 0.00123 76 4YY 0.00165 0.00000 0.00000 0.00000 -0.00020 77 4ZZ 0.00250 0.00000 0.00000 0.00000 0.00000 78 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 79 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 9 B 1S 0.00035 -0.00050 0.00002 -0.00003 -0.00016 82 2S 0.00905 0.01668 -0.00012 0.00025 0.00296 83 2PX 0.01086 0.00795 -0.00037 0.00068 0.00342 84 2PY 0.00011 0.00011 0.01158 0.00000 0.00000 85 2PZ -0.00010 0.00001 0.00000 0.00658 0.00009 86 3S 0.00765 0.00431 -0.00011 0.00018 0.00174 87 3PX 0.00439 0.00172 -0.00023 0.00041 -0.00022 88 3PY 0.00011 0.00024 0.02099 0.00000 0.00004 89 3PZ -0.00013 -0.00025 0.00000 0.00649 -0.00002 90 4XX 0.00173 -0.00025 -0.00004 0.00009 0.00026 91 4YY -0.00087 0.00010 0.00001 -0.00004 -0.00001 92 4ZZ -0.00005 0.00045 0.00000 0.00000 0.00002 93 4XY 0.00000 0.00000 0.00023 0.00000 0.00000 94 4XZ 0.00001 0.00001 0.00000 0.00093 0.00001 95 4YZ 0.00000 0.00000 0.00002 0.00000 0.00000 96 10 B 1S 0.00035 0.00029 0.00015 -0.00096 0.00000 97 2S 0.00905 0.00053 0.00418 0.01210 0.00000 98 2PX 0.00493 0.00497 0.00120 0.00808 -0.00009 99 2PY 0.00688 -0.00137 0.00074 0.01377 0.00073 100 2PZ -0.00093 -0.00102 0.00058 -0.00041 0.00011 101 3S 0.00765 -0.00183 -0.00071 0.00692 0.00008 102 3PX 0.00360 0.00621 0.00126 0.00812 -0.00018 103 3PY 0.00424 -0.00124 0.00161 0.01107 0.00054 104 3PZ -0.00346 -0.00076 -0.00180 0.00488 0.00014 105 4XX -0.00019 -0.00048 0.00095 -0.00012 -0.00001 106 4YY 0.00029 0.00061 -0.00099 0.00092 0.00006 107 4ZZ 0.00022 0.00004 0.00041 -0.00010 -0.00002 108 4XY 0.00001 0.00010 0.00001 0.00002 0.00000 109 4XZ 0.00019 0.00021 0.00002 -0.00002 -0.00001 110 4YZ 0.00030 -0.00009 0.00002 -0.00003 0.00008 111 11 H 1S 0.00056 0.00018 0.00037 0.00008 0.00000 112 2S 0.00246 0.00080 0.00080 -0.00483 -0.00004 113 3PX 0.00000 0.00000 0.00000 0.00003 0.00000 114 3PY 0.00001 0.00000 0.00000 0.00006 0.00000 115 3PZ 0.00001 0.00000 0.00001 0.00000 0.00000 116 12 H 1S 0.00056 0.00028 0.00009 0.00025 0.00000 117 2S 0.00246 0.00090 0.00053 -0.00466 -0.00008 118 3PX 0.00001 0.00000 0.00000 0.00005 0.00000 119 3PY 0.00000 0.00000 0.00001 0.00001 0.00000 120 3PZ 0.00002 0.00001 0.00000 0.00003 0.00000 76 77 78 79 80 76 4YY 0.00125 77 4ZZ 0.00000 0.00069 78 4XY 0.00000 0.00000 0.00072 79 4XZ 0.00000 0.00000 0.00000 0.00095 80 4YZ 0.00000 0.00000 0.00000 0.00000 0.00091 81 9 B 1S 0.00000 0.00000 0.00000 0.00000 0.00000 82 2S -0.00039 -0.00015 0.00000 0.00002 0.00000 83 2PX -0.00071 0.00025 0.00002 0.00004 0.00000 84 2PY 0.00000 0.00000 0.00082 0.00000 0.00000 85 2PZ 0.00000 0.00001 0.00000 0.00165 0.00000 86 3S -0.00086 -0.00006 0.00000 0.00000 0.00000 87 3PX 0.00005 0.00047 0.00000 0.00000 0.00000 88 3PY -0.00001 0.00000 0.00022 0.00000 -0.00001 89 3PZ 0.00004 -0.00002 0.00000 0.00095 0.00000 90 4XX 0.00000 0.00001 0.00000 0.00001 0.00000 91 4YY 0.00000 -0.00001 0.00000 0.00000 0.00000 92 4ZZ -0.00001 0.00001 0.00000 0.00000 0.00000 93 4XY 0.00000 0.00000 0.00002 0.00000 0.00000 94 4XZ 0.00000 0.00000 0.00000 0.00018 0.00000 95 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 10 B 1S -0.00002 0.00000 -0.00003 -0.00004 -0.00007 97 2S 0.00049 0.00007 0.00038 0.00058 0.00094 98 2PX 0.00109 0.00001 -0.00001 -0.00001 0.00076 99 2PY -0.00029 0.00049 0.00007 0.00114 0.00005 100 2PZ 0.00103 -0.00046 0.00049 0.00018 0.00032 101 3S 0.00055 -0.00033 0.00008 0.00019 0.00025 102 3PX 0.00088 -0.00023 0.00004 0.00005 0.00027 103 3PY -0.00038 0.00039 0.00000 0.00026 0.00001 104 3PZ 0.00003 -0.00034 -0.00004 0.00003 0.00003 105 4XX 0.00003 -0.00002 0.00000 0.00000 0.00001 106 4YY -0.00002 -0.00001 0.00000 0.00006 0.00003 107 4ZZ 0.00007 0.00000 0.00005 -0.00001 0.00000 108 4XY 0.00001 0.00000 0.00000 0.00000 0.00001 109 4XZ 0.00012 0.00001 -0.00001 0.00000 0.00002 110 4YZ -0.00003 0.00003 0.00001 0.00003 0.00000 111 11 H 1S 0.00000 0.00001 0.00000 0.00000 0.00000 112 2S -0.00012 0.00033 -0.00002 -0.00008 -0.00009 113 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 114 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 115 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 12 H 1S 0.00000 0.00001 0.00000 0.00000 0.00000 117 2S 0.00000 0.00024 0.00000 -0.00012 -0.00006 118 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 119 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 120 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 82 83 84 85 81 9 B 1S 2.04182 82 2S 0.00133 0.22025 83 2PX 0.00000 0.00000 0.25002 84 2PY 0.00000 0.00000 0.00000 0.24949 85 2PZ 0.00000 0.00000 0.00000 0.00000 0.23964 86 3S -0.02814 0.05211 0.00000 0.00000 0.00000 87 3PX 0.00000 0.00000 0.04581 0.00000 0.00000 88 3PY 0.00000 0.00000 0.00000 0.04732 0.00000 89 3PZ 0.00000 0.00000 0.00000 0.00000 0.07581 90 4XX -0.00166 0.00262 0.00000 0.00000 0.00000 91 4YY -0.00165 0.00245 0.00000 0.00000 0.00000 92 4ZZ -0.00150 -0.00084 0.00000 0.00000 0.00000 93 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 94 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 10 B 1S 0.00000 -0.00025 -0.00036 -0.00051 -0.00069 97 2S -0.00025 0.00557 0.00567 0.00798 0.01019 98 2PX -0.00058 0.00867 0.00022 0.01505 0.01152 99 2PY -0.00071 0.01063 0.01385 0.00172 0.01559 100 2PZ -0.00027 0.00455 0.00311 0.00589 0.00126 101 3S 0.00035 0.00905 0.00058 0.00186 0.00843 102 3PX -0.00054 0.00787 0.00009 0.00579 0.00809 103 3PY -0.00054 0.00904 0.00436 -0.00021 0.00888 104 3PZ 0.00058 -0.00010 -0.00196 -0.00269 0.00417 105 4XX -0.00001 0.00012 -0.00036 0.00093 0.00045 106 4YY -0.00002 0.00036 0.00113 -0.00050 0.00086 107 4ZZ 0.00000 0.00004 0.00020 0.00040 -0.00014 108 4XY -0.00003 0.00048 -0.00005 0.00000 0.00016 109 4XZ -0.00005 0.00065 0.00002 0.00113 0.00009 110 4YZ -0.00006 0.00079 0.00099 0.00017 0.00010 111 11 H 1S 0.00000 -0.00003 -0.00001 -0.00002 -0.00009 112 2S 0.00005 -0.00133 -0.00044 -0.00096 -0.00506 113 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 114 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 115 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 12 H 1S 0.00000 -0.00003 0.00000 0.00000 -0.00012 117 2S 0.00005 -0.00133 -0.00004 0.00009 -0.00651 118 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 119 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 120 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 86 87 88 89 90 86 3S 0.07020 87 3PX 0.00000 0.05925 88 3PY 0.00000 0.00000 0.05980 89 3PZ 0.00000 0.00000 0.00000 0.07040 90 4XX 0.00164 0.00000 0.00000 0.00000 0.00123 91 4YY 0.00168 0.00000 0.00000 0.00000 -0.00020 92 4ZZ 0.00244 0.00000 0.00000 0.00000 0.00000 93 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 94 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 10 B 1S 0.00035 0.00024 0.00015 -0.00089 -0.00001 97 2S 0.00905 0.00224 0.00408 0.01050 0.00022 98 2PX 0.00596 0.00246 0.00154 0.00976 -0.00020 99 2PY 0.00662 0.00011 0.00087 0.01187 0.00121 100 2PZ -0.00171 -0.00029 0.00030 -0.00010 0.00030 101 3S 0.00764 -0.00136 -0.00065 0.00638 0.00032 102 3PX 0.00399 0.00343 0.00132 0.00867 -0.00027 103 3PY 0.00407 -0.00008 0.00169 0.00954 0.00088 104 3PZ -0.00368 -0.00114 -0.00175 0.00769 -0.00008 105 4XX 0.00005 -0.00076 0.00101 0.00023 -0.00001 106 4YY 0.00028 0.00084 -0.00097 0.00069 0.00008 107 4ZZ -0.00003 0.00025 0.00037 -0.00021 -0.00001 108 4XY 0.00005 0.00005 0.00001 0.00007 0.00000 109 4XZ 0.00021 0.00008 0.00000 -0.00007 -0.00002 110 4YZ 0.00025 -0.00005 0.00002 -0.00008 0.00010 111 11 H 1S 0.00056 0.00028 0.00035 0.00000 0.00000 112 2S 0.00246 0.00089 0.00076 -0.00488 -0.00008 113 3PX 0.00001 0.00000 0.00000 0.00004 0.00000 114 3PY 0.00001 0.00000 0.00000 0.00005 0.00000 115 3PZ 0.00001 0.00001 0.00001 -0.00001 0.00000 116 12 H 1S 0.00056 0.00017 0.00009 0.00037 0.00000 117 2S 0.00246 0.00079 0.00049 -0.00451 -0.00004 118 3PX 0.00000 0.00000 0.00000 0.00003 0.00000 119 3PY 0.00000 0.00000 0.00001 0.00001 0.00000 120 3PZ 0.00002 0.00000 0.00000 0.00005 0.00000 91 92 93 94 95 91 4YY 0.00124 92 4ZZ 0.00000 0.00070 93 4XY 0.00000 0.00000 0.00071 94 4XZ 0.00000 0.00000 0.00000 0.00096 95 4YZ 0.00000 0.00000 0.00000 0.00000 0.00091 96 10 B 1S -0.00002 0.00001 -0.00004 -0.00005 -0.00005 97 2S 0.00046 -0.00014 0.00057 0.00062 0.00073 98 2PX 0.00141 -0.00005 -0.00004 -0.00004 0.00090 99 2PY -0.00029 0.00008 0.00006 0.00110 0.00000 100 2PZ 0.00067 -0.00033 0.00063 0.00008 0.00010 101 3S 0.00053 -0.00054 0.00013 0.00019 0.00020 102 3PX 0.00106 -0.00023 0.00001 0.00003 0.00026 103 3PY -0.00039 0.00006 0.00000 0.00026 0.00001 104 3PZ -0.00012 -0.00010 -0.00007 0.00010 0.00010 105 4XX 0.00007 -0.00002 0.00000 0.00001 0.00002 106 4YY -0.00002 -0.00002 0.00000 0.00005 0.00002 107 4ZZ 0.00003 0.00000 0.00006 -0.00001 0.00000 108 4XY 0.00001 0.00001 0.00001 0.00000 0.00000 109 4XZ 0.00013 0.00001 -0.00001 0.00000 0.00002 110 4YZ -0.00003 0.00001 0.00000 0.00002 0.00000 111 11 H 1S 0.00000 0.00001 0.00000 0.00000 0.00000 112 2S -0.00012 0.00037 -0.00003 -0.00009 -0.00008 113 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 114 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 115 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 12 H 1S 0.00000 0.00001 0.00000 0.00000 0.00000 117 2S 0.00000 0.00018 0.00000 -0.00010 -0.00006 118 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 119 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 120 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 97 98 99 100 96 10 B 1S 2.04182 97 2S 0.00133 0.22024 98 2PX 0.00000 0.00000 0.23893 99 2PY 0.00000 0.00000 0.00000 0.23969 100 2PZ 0.00000 0.00000 0.00000 0.00000 0.26052 101 3S -0.02814 0.05212 0.00000 0.00000 0.00000 102 3PX 0.00000 0.00000 0.07787 0.00000 0.00000 103 3PY 0.00000 0.00000 0.00000 0.07565 0.00000 104 3PZ 0.00000 0.00000 0.00000 0.00000 0.01543 105 4XX -0.00149 -0.00107 0.00000 0.00000 0.00000 106 4YY -0.00150 -0.00082 0.00000 0.00000 0.00000 107 4ZZ -0.00181 0.00613 0.00000 0.00000 0.00000 108 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 109 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 110 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 11 H 1S -0.00164 0.02622 0.00039 0.00288 0.07040 112 2S -0.00563 0.03186 0.00062 0.00453 0.11085 113 3PX 0.00000 0.00001 0.00065 0.00000 0.00003 114 3PY 0.00000 0.00004 0.00000 0.00052 0.00020 115 3PZ -0.00011 0.00103 0.00003 0.00020 0.00195 116 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 117 2S -0.00001 0.00028 0.00000 0.00003 0.00081 118 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 119 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 120 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 101 102 103 104 105 101 3S 0.07020 102 3PX 0.00000 0.07117 103 3PY 0.00000 0.00000 0.07034 104 3PZ 0.00000 0.00000 0.00000 0.04795 105 4XX 0.00250 0.00000 0.00000 0.00000 0.00099 106 4YY 0.00244 0.00000 0.00000 0.00000 -0.00002 107 4ZZ 0.00083 0.00000 0.00000 0.00000 -0.00008 108 4XY 0.00000 0.00000 0.00000 0.00000 0.00000 109 4XZ 0.00000 0.00000 0.00000 0.00000 0.00000 110 4YZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 11 H 1S -0.00914 0.00015 0.00108 0.02636 -0.00047 112 2S -0.05955 0.00017 0.00123 0.03010 -0.00322 113 3PX 0.00000 0.00041 0.00000 0.00001 0.00000 114 3PY 0.00000 0.00000 0.00037 0.00004 0.00000 115 3PZ -0.00006 0.00001 0.00004 0.00006 -0.00001 116 12 H 1S 0.00017 0.00000 -0.00001 -0.00033 0.00000 117 2S 0.00349 -0.00002 -0.00018 -0.00439 0.00001 118 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 119 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 120 3PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 106 107 108 109 110 106 4YY 0.00104 107 4ZZ -0.00009 0.00108 108 4XY 0.00000 0.00000 0.00026 109 4XZ 0.00000 0.00000 0.00000 0.00119 110 4YZ 0.00000 0.00000 0.00000 0.00000 0.00117 111 11 H 1S -0.00049 0.00311 0.00000 0.00005 0.00035 112 2S -0.00304 0.00421 0.00000 0.00002 0.00018 113 3PX 0.00000 0.00000 0.00000 -0.00007 0.00000 114 3PY 0.00000 -0.00001 0.00000 0.00000 -0.00006 115 3PZ -0.00002 0.00010 0.00000 0.00000 0.00001 116 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 117 2S 0.00001 -0.00003 0.00000 0.00000 0.00000 118 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 119 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 120 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 112 113 114 115 111 11 H 1S 0.20230 112 2S 0.19068 0.46278 113 3PX 0.00000 0.00000 0.00011 114 3PY 0.00000 0.00000 0.00000 0.00011 115 3PZ 0.00000 0.00000 0.00000 0.00000 0.00033 116 12 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 117 2S 0.00000 -0.00018 0.00000 0.00000 0.00000 118 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 119 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 120 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 117 118 119 120 116 12 H 1S 0.20230 117 2S 0.19068 0.46278 118 3PX 0.00000 0.00000 0.00011 119 3PY 0.00000 0.00000 0.00000 0.00011 120 3PZ 0.00000 0.00000 0.00000 0.00000 0.00033 Gross orbital populations: Total Alpha Beta Spin 1 1 H 1S 0.51615 0.25808 0.25808 0.00000 2 2S 0.73008 0.36504 0.36504 0.00000 3 3PX 0.00255 0.00128 0.00128 0.00000 4 3PY 0.00250 0.00125 0.00125 0.00000 5 3PZ 0.00140 0.00070 0.00070 0.00000 6 2 H 1S 0.51615 0.25808 0.25808 0.00000 7 2S 0.73008 0.36504 0.36504 0.00000 8 3PX 0.00257 0.00129 0.00129 0.00000 9 3PY 0.00255 0.00127 0.00127 0.00000 10 3PZ 0.00133 0.00066 0.00066 0.00000 11 3 H 1S 0.51615 0.25808 0.25808 0.00000 12 2S 0.73008 0.36504 0.36504 0.00000 13 3PX 0.00255 0.00128 0.00128 0.00000 14 3PY 0.00250 0.00125 0.00125 0.00000 15 3PZ 0.00140 0.00070 0.00070 0.00000 16 4 H 1S 0.51615 0.25808 0.25808 0.00000 17 2S 0.73008 0.36504 0.36504 0.00000 18 3PX 0.00257 0.00129 0.00129 0.00000 19 3PY 0.00255 0.00127 0.00127 0.00000 20 3PZ 0.00133 0.00066 0.00066 0.00000 21 5 B 1S 1.99327 0.99664 0.99664 0.00000 22 2S 0.56338 0.28169 0.28169 0.00000 23 2PX 0.50982 0.25491 0.25491 0.00000 24 2PY 0.51211 0.25605 0.25605 0.00000 25 2PZ 0.57421 0.28710 0.28710 0.00000 26 3S 0.16854 0.08427 0.08427 0.00000 27 3PX 0.28282 0.14141 0.14141 0.00000 28 3PY 0.27788 0.13894 0.13894 0.00000 29 3PZ 0.14360 0.07180 0.07180 0.00000 30 4XX 0.00233 0.00116 0.00116 0.00000 31 4YY 0.00323 0.00161 0.00161 0.00000 32 4ZZ 0.02508 0.01254 0.01254 0.00000 33 4XY 0.00185 0.00093 0.00093 0.00000 34 4XZ 0.01120 0.00560 0.00560 0.00000 35 4YZ 0.01135 0.00567 0.00567 0.00000 36 6 B 1S 1.99327 0.99664 0.99664 0.00000 37 2S 0.56338 0.28169 0.28169 0.00000 38 2PX 0.54288 0.27144 0.27144 0.00000 39 2PY 0.54132 0.27066 0.27066 0.00000 40 2PZ 0.51194 0.25597 0.25597 0.00000 41 3S 0.16853 0.08426 0.08426 0.00000 42 3PX 0.21135 0.10567 0.10567 0.00000 43 3PY 0.21471 0.10736 0.10736 0.00000 44 3PZ 0.27824 0.13912 0.13912 0.00000 45 4XX 0.01398 0.00699 0.00699 0.00000 46 4YY 0.01355 0.00677 0.00677 0.00000 47 4ZZ 0.00053 0.00027 0.00027 0.00000 48 4XY 0.00853 0.00426 0.00426 0.00000 49 4XZ 0.00946 0.00473 0.00473 0.00000 50 4YZ 0.00899 0.00449 0.00449 0.00000 51 7 B 1S 1.99327 0.99664 0.99664 0.00000 52 2S 0.56338 0.28169 0.28169 0.00000 53 2PX 0.54343 0.27172 0.27172 0.00000 54 2PY 0.54271 0.27136 0.27136 0.00000 55 2PZ 0.50999 0.25500 0.25500 0.00000 56 3S 0.16853 0.08427 0.08427 0.00000 57 3PX 0.21014 0.10507 0.10507 0.00000 58 3PY 0.21171 0.10585 0.10585 0.00000 59 3PZ 0.28246 0.14123 0.14123 0.00000 60 4XX 0.01419 0.00710 0.00710 0.00000 61 4YY 0.01409 0.00705 0.00705 0.00000 62 4ZZ -0.00008 -0.00004 -0.00004 0.00000 63 4XY 0.00882 0.00441 0.00441 0.00000 64 4XZ 0.00921 0.00461 0.00461 0.00000 65 4YZ 0.00880 0.00440 0.00440 0.00000 66 8 B 1S 1.99327 0.99664 0.99664 0.00000 67 2S 0.56338 0.28169 0.28169 0.00000 68 2PX 0.54343 0.27172 0.27172 0.00000 69 2PY 0.54271 0.27136 0.27136 0.00000 70 2PZ 0.50999 0.25500 0.25500 0.00000 71 3S 0.16853 0.08427 0.08427 0.00000 72 3PX 0.21014 0.10507 0.10507 0.00000 73 3PY 0.21171 0.10585 0.10585 0.00000 74 3PZ 0.28245 0.14123 0.14123 0.00000 75 4XX 0.01419 0.00710 0.00710 0.00000 76 4YY 0.01409 0.00705 0.00705 0.00000 77 4ZZ -0.00008 -0.00004 -0.00004 0.00000 78 4XY 0.00882 0.00441 0.00441 0.00000 79 4XZ 0.00921 0.00461 0.00461 0.00000 80 4YZ 0.00880 0.00440 0.00440 0.00000 81 9 B 1S 1.99327 0.99664 0.99664 0.00000 82 2S 0.56338 0.28169 0.28169 0.00000 83 2PX 0.54288 0.27144 0.27144 0.00000 84 2PY 0.54132 0.27066 0.27066 0.00000 85 2PZ 0.51194 0.25597 0.25597 0.00000 86 3S 0.16853 0.08426 0.08426 0.00000 87 3PX 0.21135 0.10567 0.10567 0.00000 88 3PY 0.21471 0.10735 0.10735 0.00000 89 3PZ 0.27825 0.13912 0.13912 0.00000 90 4XX 0.01398 0.00699 0.00699 0.00000 91 4YY 0.01355 0.00677 0.00677 0.00000 92 4ZZ 0.00053 0.00027 0.00027 0.00000 93 4XY 0.00853 0.00426 0.00426 0.00000 94 4XZ 0.00946 0.00473 0.00473 0.00000 95 4YZ 0.00899 0.00449 0.00449 0.00000 96 10 B 1S 1.99327 0.99664 0.99664 0.00000 97 2S 0.56338 0.28169 0.28169 0.00000 98 2PX 0.50982 0.25491 0.25491 0.00000 99 2PY 0.51211 0.25605 0.25605 0.00000 100 2PZ 0.57420 0.28710 0.28710 0.00000 101 3S 0.16854 0.08427 0.08427 0.00000 102 3PX 0.28282 0.14141 0.14141 0.00000 103 3PY 0.27788 0.13894 0.13894 0.00000 104 3PZ 0.14360 0.07180 0.07180 0.00000 105 4XX 0.00233 0.00116 0.00116 0.00000 106 4YY 0.00323 0.00161 0.00161 0.00000 107 4ZZ 0.02508 0.01254 0.01254 0.00000 108 4XY 0.00185 0.00093 0.00093 0.00000 109 4XZ 0.01120 0.00560 0.00560 0.00000 110 4YZ 0.01135 0.00567 0.00567 0.00000 111 11 H 1S 0.51615 0.25808 0.25808 0.00000 112 2S 0.73007 0.36504 0.36504 0.00000 113 3PX 0.00132 0.00066 0.00066 0.00000 114 3PY 0.00141 0.00070 0.00070 0.00000 115 3PZ 0.00372 0.00186 0.00186 0.00000 116 12 H 1S 0.51615 0.25808 0.25808 0.00000 117 2S 0.73007 0.36504 0.36504 0.00000 118 3PX 0.00132 0.00066 0.00066 0.00000 119 3PY 0.00141 0.00070 0.00070 0.00000 120 3PZ 0.00372 0.00186 0.00186 0.00000 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 H 1.046992 -0.000372 -0.000182 -0.000372 -0.007350 -0.000178 2 H -0.000372 1.046991 -0.000372 -0.000182 -0.007348 -0.007347 3 H -0.000182 -0.000372 1.046992 -0.000372 -0.007346 0.236931 4 H -0.000372 -0.000182 -0.000372 1.046991 -0.007350 -0.007349 5 B -0.007350 -0.007348 -0.007346 -0.007350 3.665118 0.310671 6 B -0.000178 -0.007347 0.236931 -0.007349 0.310671 3.665110 7 B -0.007350 -0.000178 -0.007346 0.236932 0.310675 0.310675 8 B -0.007347 0.236932 -0.007349 -0.000178 0.310674 0.310674 9 B 0.236931 -0.007349 -0.000178 -0.007346 0.310674 -0.034517 10 B -0.007346 -0.007349 -0.007352 -0.007347 -0.034516 0.310675 11 H -0.000372 -0.000373 -0.000372 -0.000372 -0.000178 -0.007345 12 H -0.000372 -0.000372 -0.000373 -0.000372 0.236937 -0.007351 7 8 9 10 11 12 1 H -0.007350 -0.007347 0.236931 -0.007346 -0.000372 -0.000372 2 H -0.000178 0.236932 -0.007349 -0.007349 -0.000373 -0.000372 3 H -0.007346 -0.007349 -0.000178 -0.007352 -0.000372 -0.000373 4 H 0.236932 -0.000178 -0.007346 -0.007347 -0.000372 -0.000372 5 B 0.310675 0.310674 0.310674 -0.034516 -0.000178 0.236937 6 B 0.310675 0.310674 -0.034517 0.310675 -0.007345 -0.007351 7 B 3.665110 -0.034516 0.310674 0.310671 -0.007350 -0.007346 8 B -0.034516 3.665108 0.310674 0.310673 -0.007348 -0.007348 9 B 0.310674 0.310674 3.665110 0.310674 -0.007349 -0.007348 10 B 0.310671 0.310673 0.310674 3.665119 0.236937 -0.000178 11 H -0.007350 -0.007348 -0.007349 0.236937 1.046981 -0.000182 12 H -0.007346 -0.007348 -0.007348 -0.000178 -0.000182 1.046982 Atomic-Atomic Spin Densities. 1 2 3 4 5 6 1 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 2 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 3 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 4 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 5 B 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 6 B 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 7 B 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 8 B 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 9 B 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 10 B 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 11 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 12 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 7 8 9 10 11 12 1 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 2 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 3 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 4 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 5 B 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 6 B 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 7 B 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 8 B 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 9 B 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 10 B 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 11 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 12 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 Mulliken charges and spin densities: 1 2 1 H -0.252680 0.000000 2 H -0.252681 0.000000 3 H -0.252680 0.000000 4 H -0.252681 0.000000 5 B -0.080661 0.000000 6 B -0.080649 0.000000 7 B -0.080652 0.000000 8 B -0.080651 0.000000 9 B -0.080650 0.000000 10 B -0.080662 0.000000 11 H -0.252677 0.000000 12 H -0.252677 0.000000 Sum of Mulliken charges = -2.00000 0.00000 Mulliken charges and spin densities with hydrogens summed into heavy atoms: 1 2 5 B -0.333338 0.000000 6 B -0.333329 0.000000 7 B -0.333333 0.000000 8 B -0.333331 0.000000 9 B -0.333330 0.000000 10 B -0.333339 0.000000 Electronic spatial extent (au): = 836.3784 Charge= -2.0000 electrons Dipole moment (field-independent basis, Debye): X= -5.5444 Y= -10.5897 Z= -11.8271 Tot= 16.8155 Quadrupole moment (field-independent basis, Debye-Ang): XX= -61.9781 YY= -70.4518 ZZ= -73.3391 XY= -6.1119 XZ= -6.8260 YZ= -13.0378 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 6.6116 YY= -1.8622 ZZ= -4.7494 XY= -6.1119 XZ= -6.8260 YZ= -13.0378 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -103.6185 YYY= -207.2526 ZZZ= -235.0232 XYY= -40.6614 XXY= -68.3221 XXZ= -76.3052 XZZ= -42.3278 YZZ= -80.8462 YYZ= -86.7380 XYZ= -7.5248 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -423.8200 YYYY= -745.8605 ZZZZ= -890.9970 XXXY= -113.4580 XXXZ= -129.9523 YYYX= -118.4771 YYYZ= -261.0208 ZZZX= -131.2180 ZZZY= -246.6574 XXYY= -218.3564 XXZZ= -205.7358 YYZZ= -272.5955 XXYZ= -90.6808 YYXZ= -52.1061 ZZXY= -48.5660 N-N= 1.503746309700D+02 E-N=-6.660127746287D+02 KE= 1.512256877327D+02 Orbital energies and kinetic energies (alpha): 1 2 1 O -6.314990 10.802381 2 O -6.314358 10.804766 3 O -6.314356 10.804766 4 O -6.314356 10.804766 5 O -6.314025 10.808330 6 O -6.314024 10.808330 7 O -0.312285 1.028676 8 O -0.080463 0.880513 9 O -0.080461 0.880512 10 O -0.080460 0.880513 11 O -0.026572 0.633066 12 O -0.004041 0.774234 13 O -0.004039 0.774232 14 O 0.088717 0.874233 15 O 0.088721 0.874235 16 O 0.088723 0.874237 17 O 0.163774 0.768354 18 O 0.163775 0.768351 19 O 0.163775 0.768350 20 V 0.460366 0.827164 21 V 0.460366 0.827163 22 V 0.460368 0.827161 23 V 0.468125 0.733710 24 V 0.518232 0.818959 25 V 0.518233 0.818954 26 V 0.518233 0.818969 27 V 0.537316 1.179187 28 V 0.537318 1.179180 29 V 0.587615 1.025749 30 V 0.587617 1.025744 31 V 0.587618 1.025740 32 V 0.633113 0.854232 33 V 0.633114 0.854231 34 V 0.633116 0.854227 35 V 0.731358 1.297590 36 V 0.750351 1.209741 37 V 0.750352 1.209742 38 V 0.750353 1.209743 39 V 0.856340 1.495088 40 V 0.856344 1.494977 41 V 0.872647 1.671444 42 V 0.872650 1.671454 43 V 0.872651 1.671460 44 V 0.895294 1.677497 45 V 0.895294 1.677499 46 V 0.895296 1.677506 47 V 0.904702 1.696014 48 V 0.904709 1.696134 49 V 1.021325 2.082624 50 V 1.021326 2.082626 51 V 1.021329 2.082635 52 V 1.123064 1.677074 53 V 1.156217 1.958121 54 V 1.156220 1.958117 55 V 1.156223 1.958113 56 V 1.222891 2.097640 57 V 1.222894 2.097646 58 V 1.222896 2.097650 59 V 1.250143 1.651014 60 V 1.339081 2.475084 61 V 1.339083 2.475083 62 V 1.560325 2.102600 63 V 1.560326 2.102601 64 V 1.560332 2.102603 65 V 1.588249 2.305460 66 V 1.588256 2.305498 67 V 1.679175 2.668732 68 V 1.759307 2.529769 69 V 1.759312 2.529773 70 V 1.759318 2.529785 71 V 1.763664 2.266250 72 V 1.763665 2.266252 73 V 1.763667 2.266250 74 V 2.002719 2.471598 75 V 2.002721 2.471599 76 V 2.002723 2.471601 77 V 2.048748 2.938797 78 V 2.048752 2.938809 79 V 2.048753 2.938813 80 V 2.116881 2.569534 81 V 2.116892 2.569546 82 V 2.285976 2.913036 83 V 2.285983 2.913040 84 V 2.409969 2.963695 85 V 2.409972 2.963699 86 V 2.409974 2.963703 87 V 2.414161 3.004904 88 V 2.414162 3.004906 89 V 2.414167 3.004916 90 V 2.481007 2.987964 91 V 2.485524 3.290771 92 V 2.485527 3.290777 93 V 2.485533 3.290790 94 V 2.649406 3.506261 95 V 2.649411 3.506266 96 V 2.658706 3.078249 97 V 2.658706 3.078250 98 V 2.658708 3.078251 99 V 2.719079 3.887792 100 V 2.857815 3.533854 101 V 2.857818 3.533858 102 V 2.857819 3.533860 103 V 2.876090 3.371442 104 V 2.876093 3.371447 105 V 2.876095 3.371449 106 V 3.080886 3.672117 107 V 3.080887 3.672119 108 V 3.080892 3.672129 109 V 3.377586 4.840223 110 V 3.466907 4.483161 111 V 3.466910 4.483167 112 V 3.466913 4.483182 113 V 3.687290 5.494182 114 V 3.687294 5.494223 115 V 4.253871 8.068567 116 V 4.253875 8.068563 117 V 4.253881 8.068561 118 V 4.395335 8.756874 119 V 4.439356 7.409253 120 V 4.439366 7.409229 Total kinetic energy from orbitals= 1.512256877327D+02 Isotropic Fermi Contact Couplings Atom a.u. MegaHertz Gauss 10(-4) cm-1 1 H(1) 0.00000 0.00000 0.00000 0.00000 2 H(1) 0.00000 0.00000 0.00000 0.00000 3 H(1) 0.00000 0.00000 0.00000 0.00000 4 H(1) 0.00000 0.00000 0.00000 0.00000 5 B(11) 0.00000 0.00000 0.00000 0.00000 6 B(11) 0.00000 0.00000 0.00000 0.00000 7 B(11) 0.00000 0.00000 0.00000 0.00000 8 B(11) 0.00000 0.00000 0.00000 0.00000 9 B(11) 0.00000 0.00000 0.00000 0.00000 10 B(11) 0.00000 0.00000 0.00000 0.00000 11 H(1) 0.00000 0.00000 0.00000 0.00000 12 H(1) 0.00000 0.00000 0.00000 0.00000 -------------------------------------------------------- Center ---- Spin Dipole Couplings ---- 3XX-RR 3YY-RR 3ZZ-RR -------------------------------------------------------- 1 Atom 0.000000 0.000000 0.000000 2 Atom 0.000000 0.000000 0.000000 3 Atom 0.000000 0.000000 0.000000 4 Atom 0.000000 0.000000 0.000000 5 Atom 0.000000 0.000000 0.000000 6 Atom 0.000000 0.000000 0.000000 7 Atom 0.000000 0.000000 0.000000 8 Atom 0.000000 0.000000 0.000000 9 Atom 0.000000 0.000000 0.000000 10 Atom 0.000000 0.000000 0.000000 11 Atom 0.000000 0.000000 0.000000 12 Atom 0.000000 0.000000 0.000000 -------------------------------------------------------- XY XZ YZ -------------------------------------------------------- 1 Atom 0.000000 0.000000 0.000000 2 Atom 0.000000 0.000000 0.000000 3 Atom 0.000000 0.000000 0.000000 4 Atom 0.000000 0.000000 0.000000 5 Atom 0.000000 0.000000 0.000000 6 Atom 0.000000 0.000000 0.000000 7 Atom 0.000000 0.000000 0.000000 8 Atom 0.000000 0.000000 0.000000 9 Atom 0.000000 0.000000 0.000000 10 Atom 0.000000 0.000000 0.000000 11 Atom 0.000000 0.000000 0.000000 12 Atom 0.000000 0.000000 0.000000 -------------------------------------------------------- --------------------------------------------------------------------------------- Anisotropic Spin Dipole Couplings in Principal Axis System --------------------------------------------------------------------------------- Atom a.u. MegaHertz Gauss 10(-4) cm-1 Axes Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 1 H(1) Bbb 0.0000 0.000 0.000 0.000 0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 2 H(1) Bbb 0.0000 0.000 0.000 0.000 0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 3 H(1) Bbb 0.0000 0.000 0.000 0.000 0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 4 H(1) Bbb 0.0000 0.000 0.000 0.000 0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 5 B(11) Bbb 0.0000 0.000 0.000 0.000 0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 6 B(11) Bbb 0.0000 0.000 0.000 0.000 0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 7 B(11) Bbb 0.0000 0.000 0.000 0.000 0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 8 B(11) Bbb 0.0000 0.000 0.000 0.000 0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 9 B(11) Bbb 0.0000 0.000 0.000 0.000 0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 10 B(11) Bbb 0.0000 0.000 0.000 0.000 0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 11 H(1) Bbb 0.0000 0.000 0.000 0.000 0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 12 H(1) Bbb 0.0000 0.000 0.000 0.000 0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 --------------------------------------------------------------------------------- ******************************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: B6H6 energy Storage needed: 43764 in NPA, 58119 in NBO (1703935136 available) Computed number of electrons 19.00000000 does not match expected value of 38. NATURAL POPULATIONS: Natural atomic orbital occupancies NAO Atom No lang Type(AO) Occupancy -------------------------------------------- 1 H 1 S Val( 1S) 0.53026 2 H 1 S Ryd( 2S) 0.00024 3 H 1 px Ryd( 2p) 0.00009 4 H 1 py Ryd( 2p) 0.00009 5 H 1 pz Ryd( 2p) 0.00003 6 H 2 S Val( 1S) 0.53026 7 H 2 S Ryd( 2S) 0.00024 8 H 2 px Ryd( 2p) 0.00009 9 H 2 py Ryd( 2p) 0.00009 10 H 2 pz Ryd( 2p) 0.00003 11 H 3 S Val( 1S) 0.53026 12 H 3 S Ryd( 2S) 0.00024 13 H 3 px Ryd( 2p) 0.00009 14 H 3 py Ryd( 2p) 0.00009 15 H 3 pz Ryd( 2p) 0.00003 16 H 4 S Val( 1S) 0.53026 17 H 4 S Ryd( 2S) 0.00024 18 H 4 px Ryd( 2p) 0.00009 19 H 4 py Ryd( 2p) 0.00009 20 H 4 pz Ryd( 2p) 0.00003 21 B 5 S Cor( 1S) 0.99920 22 B 5 S Val( 2S) 0.33597 23 B 5 S Ryd( 3S) 0.00221 24 B 5 S Ryd( 4S) 0.00003 25 B 5 px Val( 2p) 0.40549 26 B 5 px Ryd( 3p) 0.00075 27 B 5 py Val( 2p) 0.40808 28 B 5 py Ryd( 3p) 0.00084 29 B 5 pz Val( 2p) 0.47857 30 B 5 pz Ryd( 3p) 0.00312 31 B 5 dxy Ryd( 3d) 0.00009 32 B 5 dxz Ryd( 3d) 0.00041 33 B 5 dyz Ryd( 3d) 0.00041 34 B 5 dx2y2 Ryd( 3d) 0.00039 35 B 5 dz2 Ryd( 3d) 0.00040 36 B 6 S Cor( 1S) 0.99920 37 B 6 S Val( 2S) 0.33597 38 B 6 S Ryd( 3S) 0.00221 39 B 6 S Ryd( 4S) 0.00003 40 B 6 px Val( 2p) 0.44301 41 B 6 px Ryd( 3p) 0.00197 42 B 6 py Val( 2p) 0.44124 43 B 6 py Ryd( 3p) 0.00191 44 B 6 pz Val( 2p) 0.40789 45 B 6 pz Ryd( 3p) 0.00083 46 B 6 dxy Ryd( 3d) 0.00032 47 B 6 dxz Ryd( 3d) 0.00040 48 B 6 dyz Ryd( 3d) 0.00038 49 B 6 dx2y2 Ryd( 3d) 0.00042 50 B 6 dz2 Ryd( 3d) 0.00018 51 B 7 S Cor( 1S) 0.99920 52 B 7 S Val( 2S) 0.33597 53 B 7 S Ryd( 3S) 0.00221 54 B 7 S Ryd( 4S) 0.00003 55 B 7 px Val( 2p) 0.44364 56 B 7 px Ryd( 3p) 0.00199 57 B 7 py Val( 2p) 0.44282 58 B 7 py Ryd( 3p) 0.00196 59 B 7 pz Val( 2p) 0.40569 60 B 7 pz Ryd( 3p) 0.00076 61 B 7 dxy Ryd( 3d) 0.00033 62 B 7 dxz Ryd( 3d) 0.00039 63 B 7 dyz Ryd( 3d) 0.00037 64 B 7 dx2y2 Ryd( 3d) 0.00042 65 B 7 dz2 Ryd( 3d) 0.00019 66 B 8 S Cor( 1S) 0.99920 67 B 8 S Val( 2S) 0.33597 68 B 8 S Ryd( 3S) 0.00221 69 B 8 S Ryd( 4S) 0.00003 70 B 8 px Val( 2p) 0.44364 71 B 8 px Ryd( 3p) 0.00199 72 B 8 py Val( 2p) 0.44282 73 B 8 py Ryd( 3p) 0.00196 74 B 8 pz Val( 2p) 0.40569 75 B 8 pz Ryd( 3p) 0.00076 76 B 8 dxy Ryd( 3d) 0.00033 77 B 8 dxz Ryd( 3d) 0.00039 78 B 8 dyz Ryd( 3d) 0.00037 79 B 8 dx2y2 Ryd( 3d) 0.00042 80 B 8 dz2 Ryd( 3d) 0.00019 81 B 9 S Cor( 1S) 0.99920 82 B 9 S Val( 2S) 0.33597 83 B 9 S Ryd( 3S) 0.00221 84 B 9 S Ryd( 4S) 0.00003 85 B 9 px Val( 2p) 0.44301 86 B 9 px Ryd( 3p) 0.00197 87 B 9 py Val( 2p) 0.44124 88 B 9 py Ryd( 3p) 0.00191 89 B 9 pz Val( 2p) 0.40789 90 B 9 pz Ryd( 3p) 0.00083 91 B 9 dxy Ryd( 3d) 0.00032 92 B 9 dxz Ryd( 3d) 0.00040 93 B 9 dyz Ryd( 3d) 0.00038 94 B 9 dx2y2 Ryd( 3d) 0.00042 95 B 9 dz2 Ryd( 3d) 0.00018 96 B 10 S Cor( 1S) 0.99920 97 B 10 S Val( 2S) 0.33597 98 B 10 S Ryd( 3S) 0.00221 99 B 10 S Ryd( 4S) 0.00003 100 B 10 px Val( 2p) 0.40549 101 B 10 px Ryd( 3p) 0.00075 102 B 10 py Val( 2p) 0.40808 103 B 10 py Ryd( 3p) 0.00084 104 B 10 pz Val( 2p) 0.47857 105 B 10 pz Ryd( 3p) 0.00312 106 B 10 dxy Ryd( 3d) 0.00009 107 B 10 dxz Ryd( 3d) 0.00041 108 B 10 dyz Ryd( 3d) 0.00041 109 B 10 dx2y2 Ryd( 3d) 0.00039 110 B 10 dz2 Ryd( 3d) 0.00040 111 H 11 S Val( 1S) 0.53026 112 H 11 S Ryd( 2S) 0.00024 113 H 11 px Ryd( 2p) 0.00003 114 H 11 py Ryd( 2p) 0.00003 115 H 11 pz Ryd( 2p) 0.00015 116 H 12 S Val( 1S) 0.53026 117 H 12 S Ryd( 2S) 0.00024 118 H 12 px Ryd( 2p) 0.00003 119 H 12 py Ryd( 2p) 0.00003 120 H 12 pz Ryd( 2p) 0.00015 WARNING: 1 low occupancy (<1.9990e) core orbital found on B 5 1 low occupancy (<1.9990e) core orbital found on B 6 1 low occupancy (<1.9990e) core orbital found on B 7 1 low occupancy (<1.9990e) core orbital found on B 8 1 low occupancy (<1.9990e) core orbital found on B 9 1 low occupancy (<1.9990e) core orbital found on B 10 Summary of Natural Population Analysis: Natural Population Natural ----------------------------------------------- Atom No Charge Core Valence Rydberg Total ----------------------------------------------------------------------- H 1 0.46930 0.00000 0.53026 0.00045 0.53070 H 2 0.46930 0.00000 0.53026 0.00045 0.53070 H 3 0.46930 0.00000 0.53026 0.00045 0.53070 H 4 0.46930 0.00000 0.53026 0.00045 0.53070 B 5 2.36404 0.99920 1.62811 0.00864 2.63596 B 6 2.36403 0.99920 1.62812 0.00864 2.63597 B 7 2.36403 0.99920 1.62812 0.00864 2.63597 B 8 2.36403 0.99920 1.62812 0.00864 2.63597 B 9 2.36403 0.99920 1.62812 0.00864 2.63597 B 10 2.36404 0.99920 1.62812 0.00864 2.63596 H 11 0.46930 0.00000 0.53026 0.00045 0.53070 H 12 0.46930 0.00000 0.53026 0.00045 0.53070 ======================================================================= * Total * 17.00000 5.99520 12.95025 0.05455 19.00000 Natural Population -------------------------------------------------------- Core 5.99520 ( 49.9600% of 12) Valence 12.95025 (185.0035% of 7) Natural Minimal Basis 18.94545 ( 99.7129% of 19) Natural Rydberg Basis 0.05455 ( 0.2871% of 19) -------------------------------------------------------- Atom No Natural Electron Configuration ---------------------------------------------------------------------------- H 1 1S( 0.53) H 2 1S( 0.53) H 3 1S( 0.53) H 4 1S( 0.53) B 5 [core]2S( 0.34)2p( 1.29) B 6 [core]2S( 0.34)2p( 1.29) B 7 [core]2S( 0.34)2p( 1.29) B 8 [core]2S( 0.34)2p( 1.29) B 9 [core]2S( 0.34)2p( 1.29) B 10 [core]2S( 0.34)2p( 1.29) H 11 1S( 0.53) H 12 1S( 0.53) 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 8.11682 10.88318 6 0 0 4 10 26 0.24 2(2) 1.90 8.11682 10.88318 6 0 0 4 10 26 0.24 3(1) 1.80 8.11682 10.88318 6 0 0 4 10 26 0.24 4(2) 1.80 8.11682 10.88318 6 0 0 4 10 26 0.24 5(1) 1.70 8.11682 10.88318 6 0 0 4 10 26 0.24 6(2) 1.70 8.11682 10.88318 6 0 0 4 10 26 0.24 7(1) 1.60 8.11682 10.88318 6 0 0 4 10 26 0.24 8(2) 1.60 8.11682 10.88318 6 0 0 4 10 26 0.24 9(1) 1.50 8.11682 10.88318 6 0 0 4 10 26 0.24 10(2) 1.50 8.11682 10.88318 6 0 0 4 10 26 0.24 11(1) 1.90 8.11682 10.88318 6 0 0 4 10 26 0.24 ----------------------------------------------------------------------------- Structure accepted: RESONANCE keyword permits strongly delocalized structure WARNING: 1 low occupancy (<1.9990e) core orbital found on B 5 1 low occupancy (<1.9990e) core orbital found on B 6 1 low occupancy (<1.9990e) core orbital found on B 7 1 low occupancy (<1.9990e) core orbital found on B 8 1 low occupancy (<1.9990e) core orbital found on B 9 1 low occupancy (<1.9990e) core orbital found on B 10 -------------------------------------------------------- Core 5.99520 ( 49.960% of 12) Valence Lewis 2.12162 ( 30.309% of 7) ================== ============================ Total Lewis 8.11682 ( 42.720% of 19) ----------------------------------------------------- Valence non-Lewis 10.86451 ( 57.182% of 19) Rydberg non-Lewis 0.01866 ( 0.098% of 19) ================== ============================ Total non-Lewis 10.88318 ( 57.280% of 19) -------------------------------------------------------- (Occupancy) Bond orbital/ Coefficients/ Hybrids --------------------------------------------------------------------------------- 1. (0.99920) CR ( 1) B 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 2. (0.99920) CR ( 1) B 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 3. (0.99920) CR ( 1) B 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 4. (0.99920) CR ( 1) B 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 5. (0.99920) CR ( 1) B 9 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 6. (0.99920) CR ( 1) B 10 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 7. (0.53041) LP ( 1) H 1 s( 99.97%)p 0.00( 0.03%) 0.9999 0.0000 0.0118 0.0116 0.0032 8. (0.53041) LP ( 1) H 2 s( 99.97%)p 0.00( 0.03%) 0.9999 0.0000 -0.0119 0.0118 0.0015 9. (0.53041) LP ( 1) H 3 s( 99.97%)p 0.00( 0.03%) 0.9999 0.0000 -0.0118 -0.0116 -0.0032 10. (0.53041) LP ( 1) H 4 s( 99.97%)p 0.00( 0.03%) 0.9999 0.0000 0.0119 -0.0118 -0.0015 11. (0.49600) LP*( 1) B 5 s( 7.05%)p13.18( 92.94%)d 0.00( 0.01%) 0.0000 0.2585 0.0607 -0.0008 -0.0705 0.0016 -0.1905 0.0044 0.9422 -0.0216 0.0002 -0.0012 -0.0033 -0.0003 0.0093 12. (0.40567) LP*( 2) B 5 s( 0.00%)p 1.00( 99.90%)d 0.00( 0.10%) 0.0000 0.0000 0.0000 0.0000 -0.0147 -0.0003 0.9796 0.0211 0.1969 0.0042 0.0022 0.0009 -0.0289 -0.0061 -0.0105 13. (0.40567) LP*( 3) B 5 s( 0.00%)p 1.00( 99.90%)d 0.00( 0.10%) 0.0000 0.0000 0.0000 0.0000 0.9965 0.0214 0.0000 0.0000 0.0745 0.0016 0.0062 -0.0304 0.0005 0.0023 -0.0040 14. (0.32661) LP*( 4) B 5 s( 92.78%)p 0.08( 7.18%)d 0.00( 0.04%) 0.0000 0.9629 -0.0248 0.0003 0.0186 -0.0060 0.0504 -0.0163 -0.2493 0.0806 0.0005 -0.0024 -0.0066 -0.0006 0.0183 15. (0.49600) LP*( 1) B 6 s( 7.05%)p13.18( 92.94%)d 0.00( 0.01%) 0.0000 0.2585 0.0607 -0.0008 0.6769 -0.0156 0.6609 -0.0152 0.1843 -0.0042 0.0083 0.0023 0.0023 0.0002 -0.0044 16. (0.40567) LP*( 2) B 6 s( 0.00%)p 1.00( 99.90%)d 0.00( 0.10%) 0.0000 0.0000 0.0000 0.0000 -0.6981 -0.0150 0.7150 0.0154 0.0005 0.0000 -0.0007 0.0042 -0.0043 0.0308 0.0000 17. (0.40567) LP*( 3) B 6 s( 0.00%)p 1.00( 99.90%)d 0.00( 0.10%) 0.0000 -0.0001 0.0000 0.0000 -0.1364 -0.0029 -0.1338 -0.0029 0.9808 0.0211 0.0059 -0.0208 -0.0203 0.0001 -0.0102 18. (0.32661) LP*( 4) B 6 s( 92.78%)p 0.08( 7.18%)d 0.00( 0.04%) 0.0000 0.9629 -0.0248 0.0003 -0.1791 0.0579 -0.1749 0.0565 -0.0487 0.0158 0.0164 0.0046 0.0045 0.0004 -0.0087 19. (0.49600) LP*( 1) B 7 s( 7.05%)p13.18( 92.94%)d 0.00( 0.01%) 0.0000 0.2585 0.0607 -0.0008 -0.6825 0.0157 0.6752 -0.0155 0.0854 -0.0020 -0.0086 -0.0011 0.0011 0.0001 -0.0049 20. (0.40567) LP*( 2) B 7 s( 0.00%)p 1.00( 99.90%)d 0.00( 0.10%) 0.0000 0.0000 0.0000 0.0000 0.7028 0.0151 0.7104 0.0153 0.0002 0.0000 0.0003 -0.0020 -0.0020 0.0313 0.0000 21. (0.40567) LP*( 3) B 7 s( 0.00%)p 1.00( 99.90%)d 0.00( 0.10%) 0.0000 0.0000 0.0000 0.0000 0.0628 0.0014 -0.0625 -0.0013 0.9953 0.0214 -0.0028 0.0220 -0.0217 0.0000 -0.0048 22. (0.32661) LP*( 4) B 7 s( 92.78%)p 0.08( 7.18%)d 0.00( 0.04%) 0.0000 0.9629 -0.0248 0.0003 0.1806 -0.0584 -0.1786 0.0578 -0.0226 0.0073 -0.0169 -0.0021 0.0021 0.0002 -0.0096 23. (0.49600) LP*( 1) B 8 s( 7.05%)p13.18( 92.94%)d 0.00( 0.01%) 0.0000 0.2585 0.0607 -0.0008 0.6824 -0.0157 -0.6752 0.0155 -0.0855 0.0020 -0.0086 -0.0011 0.0011 0.0001 -0.0049 24. (0.40567) LP*( 2) B 8 s( 0.00%)p 1.00( 99.90%)d 0.00( 0.10%) 0.0000 0.0000 0.0000 0.0000 0.7028 0.0151 0.7104 0.0153 0.0002 0.0000 -0.0003 0.0020 0.0020 -0.0313 0.0000 25. (0.40567) LP*( 3) B 8 s( 0.00%)p 1.00( 99.90%)d 0.00( 0.10%) 0.0000 0.0000 0.0000 0.0000 0.0628 0.0014 -0.0625 -0.0013 0.9953 0.0214 0.0028 -0.0220 0.0217 0.0000 0.0048 26. (0.32661) LP*( 4) B 8 s( 92.78%)p 0.08( 7.18%)d 0.00( 0.04%) 0.0000 0.9629 -0.0248 0.0003 -0.1806 0.0584 0.1786 -0.0578 0.0226 -0.0073 -0.0169 -0.0021 0.0021 0.0002 -0.0096 27. (0.49600) LP*( 1) B 9 s( 7.05%)p13.18( 92.94%)d 0.00( 0.01%) 0.0000 0.2585 0.0607 -0.0008 -0.6769 0.0156 -0.6609 0.0152 -0.1843 0.0042 0.0083 0.0023 0.0023 0.0002 -0.0044 28. (0.40567) LP*( 2) B 9 s( 0.00%)p 1.00( 99.90%)d 0.00( 0.10%) 0.0000 0.0000 0.0000 0.0000 -0.6981 -0.0150 0.7149 0.0154 0.0005 0.0000 0.0007 -0.0042 0.0043 -0.0308 0.0000 29. (0.40567) LP*( 3) B 9 s( 0.00%)p 1.00( 99.90%)d 0.00( 0.10%) 0.0000 0.0000 0.0000 0.0000 -0.1364 -0.0029 -0.1338 -0.0029 0.9808 0.0211 -0.0059 0.0208 0.0203 -0.0001 0.0102 30. (0.32661) LP*( 4) B 9 s( 92.78%)p 0.08( 7.18%)d 0.00( 0.04%) 0.0000 0.9629 -0.0248 0.0003 0.1791 -0.0579 0.1748 -0.0565 0.0487 -0.0158 0.0164 0.0046 0.0045 0.0004 -0.0087 31. (0.49600) LP*( 1) B 10 s( 7.05%)p13.18( 92.94%)d 0.00( 0.01%) 0.0000 0.2585 0.0607 -0.0008 0.0705 -0.0016 0.1905 -0.0044 -0.9422 0.0216 0.0002 -0.0012 -0.0033 -0.0003 0.0093 32. (0.40567) LP*( 2) B 10 s( 0.00%)p 1.00( 99.90%)d 0.00( 0.10%) 0.0000 0.0000 0.0000 0.0000 -0.0147 -0.0003 0.9796 0.0211 0.1969 0.0042 -0.0022 -0.0009 0.0289 0.0061 0.0105 33. (0.40567) LP*( 3) B 10 s( 0.00%)p 1.00( 99.90%)d 0.00( 0.10%) 0.0000 0.0000 0.0000 0.0000 0.9965 0.0214 0.0000 0.0000 0.0745 0.0016 -0.0062 0.0304 -0.0005 -0.0023 0.0040 34. (0.32661) LP*( 4) B 10 s( 92.78%)p 0.08( 7.18%)d 0.00( 0.04%) 0.0000 0.9629 -0.0248 0.0003 -0.0186 0.0060 -0.0504 0.0163 0.2493 -0.0806 0.0005 -0.0024 -0.0066 -0.0006 0.0183 35. (0.53041) LP*( 1) H 11 s( 99.97%)p 0.00( 0.03%) 0.9999 0.0000 -0.0012 -0.0033 0.0165 36. (0.53041) LP*( 1) H 12 s( 99.97%)p 0.00( 0.03%) 0.9999 0.0000 0.0012 0.0033 -0.0165 37. (0.00024) RY*( 1) H 1 s( 99.46%)p 0.01( 0.54%) 0.0012 0.9973 -0.0517 -0.0505 -0.0141 38. (0.00001) RY*( 2) H 1 s( 0.28%)p99.99( 99.72%) 39. (0.00002) RY*( 3) H 1 s( 0.27%)p99.99( 99.73%) 40. (0.00002) RY*( 4) H 1 s( 0.02%)p99.99( 99.98%) 41. (0.00024) RY*( 1) H 2 s( 99.46%)p 0.01( 0.54%) 0.0012 0.9973 0.0521 -0.0515 -0.0065 42. (0.00003) RY*( 2) H 2 s( 0.00%)p 1.00(100.00%) 43. (0.00003) RY*( 3) H 2 s( 0.00%)p 1.00(100.00%) 44. (0.00000) RY*( 4) H 2 s( 0.57%)p99.99( 99.43%) 45. (0.00024) RY*( 1) H 3 s( 99.46%)p 0.01( 0.54%) 0.0012 0.9973 0.0517 0.0505 0.0141 46. (0.00001) RY*( 2) H 3 s( 0.28%)p99.99( 99.72%) 47. (0.00002) RY*( 3) H 3 s( 0.27%)p99.99( 99.73%) 48. (0.00002) RY*( 4) H 3 s( 0.02%)p99.99( 99.98%) 49. (0.00024) RY*( 1) H 4 s( 99.46%)p 0.01( 0.54%) 0.0012 0.9973 -0.0521 0.0515 0.0065 50. (0.00003) RY*( 2) H 4 s( 0.00%)p 1.00(100.00%) 51. (0.00003) RY*( 3) H 4 s( 0.00%)p 1.00(100.00%) 52. (0.00000) RY*( 4) H 4 s( 0.57%)p99.99( 99.43%) 53. (0.00091) RY*( 1) B 5 s( 14.66%)p 5.76( 84.39%)d 0.07( 0.95%) 0.0000 0.0689 0.3485 0.1428 0.0046 0.0670 0.0123 0.1811 -0.0610 -0.8959 0.0024 -0.0121 -0.0327 -0.0029 0.0911 54. (0.00055) RY*( 2) B 5 s( 0.00%)p 1.00( 99.43%)d 0.01( 0.57%) 0.0000 0.0000 0.0000 0.0000 -0.0190 0.9943 0.0002 -0.0120 -0.0014 0.0719 -0.0148 0.0729 -0.0019 -0.0057 0.0092 55. (0.00055) RY*( 3) B 5 s( 0.00%)p 1.00( 99.43%)d 0.01( 0.57%) 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0025 -0.0187 0.9772 -0.0038 0.1974 -0.0054 -0.0013 0.0691 0.0146 0.0252 56. (0.00039) RY*( 4) B 5 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 -0.0065 0.0731 -0.1947 0.9777 -0.0294 57. (0.00027) RY*( 5) B 5 s( 22.90%)p 0.01( 0.32%)d 3.35( 76.78%) 0.0000 0.0189 0.4450 -0.1750 0.0017 -0.0038 0.0045 -0.0102 -0.0224 0.0504 -0.0219 0.1085 0.2932 0.0256 -0.8179 58. (0.00007) RY*( 6) B 5 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 59. (0.00002) RY*( 7) B 5 s( 29.73%)p 0.22( 6.55%)d 2.14( 63.72%) 60. (0.00002) RY*( 8) B 5 s( 38.96%)p 0.22( 8.38%)d 1.35( 52.66%) 61. (0.00002) RY*( 9) B 5 s( 0.11%)p 5.98( 0.69%)d99.99( 99.20%) 62. (0.00000) RY*(10) B 5 s( 93.81%)p 0.01( 0.87%)d 0.06( 5.32%) 63. (0.00091) RY*( 1) B 6 s( 14.66%)p 5.76( 84.39%)d 0.07( 0.95%) 0.0000 0.0689 0.3485 0.1428 -0.0438 -0.6437 -0.0428 -0.6284 -0.0119 -0.1752 0.0814 0.0227 0.0222 0.0020 -0.0435 64. (0.00055) RY*( 2) B 6 s( 0.00%)p 1.00( 99.43%)d 0.01( 0.57%) 0.0000 0.0000 0.0000 0.0000 0.0133 -0.6966 -0.0137 0.7133 0.0000 0.0009 0.0017 -0.0099 0.0103 -0.0738 0.0000 65. (0.00055) RY*( 3) B 6 s( 0.00%)p 1.00( 99.43%)d 0.01( 0.57%) 0.0000 0.0000 0.0000 0.0000 0.0026 -0.1357 0.0026 -0.1338 -0.0187 0.9786 -0.0141 0.0499 0.0487 -0.0003 0.0244 66. (0.00039) RY*( 4) B 6 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0001 0.0000 -0.0001 0.0000 0.0000 -0.0887 0.6987 -0.6673 -0.1902 -0.1501 67. (0.00027) RY*( 5) B 6 s( 22.90%)p 0.01( 0.32%)d 3.35( 76.78%) 0.0000 0.0189 0.4450 -0.1750 -0.0161 0.0362 -0.0157 0.0354 -0.0044 0.0099 -0.7309 -0.2038 -0.1989 -0.0175 0.3901 68. (0.00007) RY*( 6) B 6 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 69. (0.00003) RY*( 7) B 6 s( 68.80%)p 0.21( 14.30%)d 0.25( 16.91%) 70. (0.00002) RY*( 8) B 6 s( 0.00%)p 1.00( 0.66%)d99.99( 99.34%) 71. (0.00002) RY*( 9) B 6 s( 0.00%)p 1.00( 0.66%)d99.99( 99.34%) 72. (0.00000) RY*(10) B 6 s( 93.81%)p 0.01( 0.87%)d 0.06( 5.31%) 73. (0.00091) RY*( 1) B 7 s( 14.66%)p 5.76( 84.39%)d 0.07( 0.95%) 0.0000 0.0689 0.3485 0.1428 0.0442 0.6490 -0.0437 -0.6421 -0.0055 -0.0813 -0.0839 -0.0106 0.0105 0.0009 -0.0477 74. (0.00055) RY*( 2) B 7 s( 0.00%)p 1.00( 99.43%)d 0.01( 0.57%) 0.0000 0.0000 0.0000 0.0000 -0.0134 0.7012 -0.0136 0.7087 0.0000 0.0005 -0.0008 0.0047 0.0048 -0.0749 0.0000 75. (0.00055) RY*( 3) B 7 s( 0.00%)p 1.00( 99.43%)d 0.01( 0.57%) 0.0000 0.0000 0.0000 0.0000 -0.0012 0.0625 0.0012 -0.0625 -0.0190 0.9931 0.0067 -0.0526 0.0521 0.0000 0.0115 76. (0.00039) RY*( 4) B 7 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0001 0.0000 -0.0001 0.0000 0.0000 -0.1890 0.6726 0.6325 0.0842 0.3237 77. (0.00027) RY*( 5) B 7 s( 22.90%)p 0.01( 0.32%)d 3.35( 76.78%) 0.0000 0.0189 0.4450 -0.1750 0.0163 -0.0365 -0.0161 0.0361 -0.0020 0.0045 0.7528 0.0953 -0.0943 -0.0080 0.4278 78. (0.00007) RY*( 6) B 7 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 79. (0.00003) RY*( 7) B 7 s( 68.80%)p 0.21( 14.30%)d 0.25( 16.91%) 80. (0.00002) RY*( 8) B 7 s( 0.00%)p 1.00( 0.66%)d99.99( 99.34%) 81. (0.00002) RY*( 9) B 7 s( 0.00%)p 1.00( 0.66%)d99.99( 99.34%) 82. (0.00000) RY*(10) B 7 s( 93.81%)p 0.01( 0.87%)d 0.06( 5.31%) 83. (0.00091) RY*( 1) B 8 s( 14.66%)p 5.76( 84.39%)d 0.07( 0.95%) 0.0000 0.0689 0.3485 0.1428 -0.0442 -0.6490 0.0437 0.6421 0.0055 0.0813 -0.0839 -0.0106 0.0105 0.0009 -0.0477 84. (0.00055) RY*( 2) B 8 s( 0.00%)p 1.00( 99.43%)d 0.01( 0.57%) 0.0000 0.0000 0.0000 0.0000 -0.0134 0.7012 -0.0136 0.7087 0.0000 0.0005 0.0008 -0.0046 -0.0047 0.0749 0.0000 85. (0.00055) RY*( 3) B 8 s( 0.00%)p 1.00( 99.43%)d 0.01( 0.57%) 0.0000 0.0000 0.0000 0.0000 -0.0012 0.0625 0.0012 -0.0626 -0.0190 0.9931 -0.0066 0.0526 -0.0521 0.0000 -0.0115 86. (0.00039) RY*( 4) B 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 -0.1890 0.6726 0.6325 0.0842 0.3237 87. (0.00027) RY*( 5) B 8 s( 22.90%)p 0.01( 0.32%)d 3.35( 76.78%) 0.0000 0.0189 0.4450 -0.1750 -0.0163 0.0365 0.0161 -0.0361 0.0020 -0.0046 0.7528 0.0953 -0.0943 -0.0080 0.4278 88. (0.00007) RY*( 6) B 8 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 89. (0.00003) RY*( 7) B 8 s( 68.80%)p 0.21( 14.30%)d 0.25( 16.91%) 90. (0.00002) RY*( 8) B 8 s( 0.00%)p 1.00( 0.66%)d99.99( 99.34%) 91. (0.00002) RY*( 9) B 8 s( 0.00%)p 1.00( 0.66%)d99.99( 99.34%) 92. (0.00000) RY*(10) B 8 s( 93.81%)p 0.01( 0.87%)d 0.06( 5.31%) 93. (0.00091) RY*( 1) B 9 s( 14.66%)p 5.76( 84.39%)d 0.07( 0.95%) 0.0000 0.0689 0.3485 0.1428 0.0438 0.6437 0.0428 0.6284 0.0119 0.1752 0.0814 0.0227 0.0222 0.0020 -0.0435 94. (0.00055) RY*( 2) B 9 s( 0.00%)p 1.00( 99.43%)d 0.01( 0.57%) 0.0000 0.0000 0.0000 0.0000 0.0133 -0.6966 -0.0137 0.7133 0.0000 0.0009 -0.0018 0.0100 -0.0104 0.0738 0.0000 95. (0.00055) RY*( 3) B 9 s( 0.00%)p 1.00( 99.43%)d 0.01( 0.57%) 0.0000 0.0000 0.0000 0.0000 0.0026 -0.1357 0.0026 -0.1338 -0.0187 0.9786 0.0141 -0.0499 -0.0487 0.0003 -0.0244 96. (0.00039) RY*( 4) B 9 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 -0.0887 0.6987 -0.6673 -0.1902 -0.1501 97. (0.00027) RY*( 5) B 9 s( 22.90%)p 0.01( 0.32%)d 3.35( 76.78%) 0.0000 0.0189 0.4450 -0.1750 0.0161 -0.0362 0.0157 -0.0354 0.0044 -0.0099 -0.7309 -0.2038 -0.1989 -0.0175 0.3901 98. (0.00007) RY*( 6) B 9 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 99. (0.00003) RY*( 7) B 9 s( 68.80%)p 0.21( 14.30%)d 0.25( 16.91%) 100. (0.00002) RY*( 8) B 9 s( 0.00%)p 1.00( 0.66%)d99.99( 99.34%) 101. (0.00002) RY*( 9) B 9 s( 0.00%)p 1.00( 0.66%)d99.99( 99.34%) 102. (0.00000) RY*(10) B 9 s( 93.81%)p 0.01( 0.87%)d 0.06( 5.31%) 103. (0.00091) RY*( 1) B 10 s( 14.66%)p 5.76( 84.39%)d 0.07( 0.95%) 0.0000 0.0689 0.3485 0.1428 -0.0046 -0.0670 -0.0123 -0.1811 0.0610 0.8959 0.0024 -0.0121 -0.0327 -0.0029 0.0911 104. (0.00055) RY*( 2) B 10 s( 0.00%)p 1.00( 99.43%)d 0.01( 0.57%) 0.0000 0.0000 0.0000 0.0000 -0.0190 0.9943 0.0002 -0.0120 -0.0014 0.0719 0.0148 -0.0729 0.0020 0.0057 -0.0092 105. (0.00055) RY*( 3) B 10 s( 0.00%)p 1.00( 99.43%)d 0.01( 0.57%) 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0025 -0.0187 0.9772 -0.0038 0.1974 0.0054 0.0013 -0.0691 -0.0146 -0.0252 106. (0.00039) RY*( 4) B 10 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 -0.0065 0.0731 -0.1947 0.9777 -0.0294 107. (0.00027) RY*( 5) B 10 s( 22.90%)p 0.01( 0.32%)d 3.35( 76.78%) 0.0000 0.0189 0.4450 -0.1750 -0.0017 0.0038 -0.0045 0.0102 0.0224 -0.0504 -0.0219 0.1085 0.2932 0.0256 -0.8179 108. (0.00007) RY*( 6) B 10 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 109. (0.00002) RY*( 7) B 10 s( 29.73%)p 0.22( 6.55%)d 2.14( 63.72%) 110. (0.00002) RY*( 8) B 10 s( 38.96%)p 0.22( 8.38%)d 1.35( 52.66%) 111. (0.00002) RY*( 9) B 10 s( 0.11%)p 5.98( 0.69%)d99.99( 99.20%) 112. (0.00000) RY*(10) B 10 s( 93.81%)p 0.01( 0.87%)d 0.06( 5.32%) 113. (0.00024) RY*( 1) H 11 s( 99.46%)p 0.01( 0.54%) 0.0012 0.9973 0.0054 0.0145 -0.0719 114. (0.00003) RY*( 2) H 11 s( 0.00%)p 1.00(100.00%) 115. (0.00003) RY*( 3) H 11 s( 0.00%)p 1.00(100.00%) 116. (0.00000) RY*( 4) H 11 s( 0.57%)p99.99( 99.43%) 117. (0.00024) RY*( 1) H 12 s( 99.46%)p 0.01( 0.54%) 0.0012 0.9973 -0.0054 -0.0145 0.0719 118. (0.00003) RY*( 2) H 12 s( 0.00%)p 1.00(100.00%) 119. (0.00003) RY*( 3) H 12 s( 0.00%)p 1.00(100.00%) 120. (0.00000) RY*( 4) H 12 s( 0.57%)p99.99( 99.43%) 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 ======================================================================================== 11. LP*( 1) B 5 -- -- 12.2 249.7 -- -- -- -- 12. LP*( 2) B 5 -- -- 78.6 90.9 -- -- -- -- 13. LP*( 3) B 5 -- -- 85.7 0.0 -- -- -- -- 15. LP*( 1) B 6 -- -- 79.0 44.3 -- -- -- -- 16. LP*( 2) B 6 -- -- 90.0 134.3 -- -- -- -- 17. LP*( 3) B 6 -- -- 11.0 224.5 -- -- -- -- 19. LP*( 1) B 7 -- -- 84.9 135.3 -- -- -- -- 20. LP*( 2) B 7 -- -- 90.0 45.3 -- -- -- -- 21. LP*( 3) B 7 -- -- 5.1 315.2 -- -- -- -- 23. LP*( 1) B 8 -- -- 95.1 315.3 -- -- -- -- 24. LP*( 2) B 8 -- -- 90.0 45.3 -- -- -- -- 25. LP*( 3) B 8 -- -- 5.1 315.2 -- -- -- -- 27. LP*( 1) B 9 -- -- 101.0 224.3 -- -- -- -- 28. LP*( 2) B 9 -- -- 90.0 134.3 -- -- -- -- 29. LP*( 3) B 9 -- -- 11.0 224.5 -- -- -- -- 31. LP*( 1) B 10 -- -- 167.8 69.7 -- -- -- -- 32. LP*( 2) B 10 -- -- 78.6 90.9 -- -- -- -- 33. LP*( 3) B 10 -- -- 85.7 0.0 -- -- -- -- Natural Bond Orbitals (Summary): NBO Occupancy ----------------------------------------------- Molecular unit 1 (H) 7. LP ( 1) H 1 0.53041 37. RY*( 1) H 1 0.00024 38. RY*( 2) H 1 0.00001 39. RY*( 3) H 1 0.00002 40. RY*( 4) H 1 0.00002 ------------------------------- Total Lewis 0.53041 ( 99.9441%) Valence non-Lewis 0.00000 ( 0.0000%) Rydberg non-Lewis 0.00030 ( 0.0559%) ------------------------------- Total unit 1 0.53070 (100.0000%) Charge unit 1 0.46930 Molecular unit 2 (H) 8. LP ( 1) H 2 0.53041 41. RY*( 1) H 2 0.00024 42. RY*( 2) H 2 0.00003 43. RY*( 3) H 2 0.00003 44. RY*( 4) H 2 0.00000 ------------------------------- Total Lewis 0.53041 ( 99.9441%) Valence non-Lewis 0.00000 ( 0.0000%) Rydberg non-Lewis 0.00030 ( 0.0559%) ------------------------------- Total unit 2 0.53070 (100.0000%) Charge unit 2 0.46930 Molecular unit 3 (H) 9. LP ( 1) H 3 0.53041 45. RY*( 1) H 3 0.00024 46. RY*( 2) H 3 0.00001 47. RY*( 3) H 3 0.00002 48. RY*( 4) H 3 0.00002 ------------------------------- Total Lewis 0.53041 ( 99.9441%) Valence non-Lewis 0.00000 ( 0.0000%) Rydberg non-Lewis 0.00030 ( 0.0559%) ------------------------------- Total unit 3 0.53070 (100.0000%) Charge unit 3 0.46930 Molecular unit 4 (H) 10. LP ( 1) H 4 0.53041 49. RY*( 1) H 4 0.00024 50. RY*( 2) H 4 0.00003 51. RY*( 3) H 4 0.00003 52. RY*( 4) H 4 0.00000 ------------------------------- Total Lewis 0.53041 ( 99.9441%) Valence non-Lewis 0.00000 ( 0.0000%) Rydberg non-Lewis 0.00030 ( 0.0559%) ------------------------------- Total unit 4 0.53070 (100.0000%) Charge unit 4 0.46930 Molecular unit 5 (B) 1. CR ( 1) B 5 0.99920 11. LP*( 1) B 5 0.49600 12. LP*( 2) B 5 0.40567 13. LP*( 3) B 5 0.40567 14. LP*( 4) B 5 0.32661 53. RY*( 1) B 5 0.00091 54. RY*( 2) B 5 0.00055 55. RY*( 3) B 5 0.00055 56. RY*( 4) B 5 0.00039 57. RY*( 5) B 5 0.00027 58. RY*( 6) B 5 0.00007 59. RY*( 7) B 5 0.00002 60. RY*( 8) B 5 0.00002 61. RY*( 9) B 5 0.00002 62. RY*( 10) B 5 0.00000 ------------------------------- Total Lewis 0.99920 ( 37.9065%) Valence non-Lewis 1.63395 ( 61.9868%) Rydberg non-Lewis 0.00281 ( 0.1067%) ------------------------------- Total unit 5 2.63596 (100.0000%) Charge unit 5 2.36404 Molecular unit 6 (B) 2. CR ( 1) B 6 0.99920 15. LP*( 1) B 6 0.49600 16. LP*( 2) B 6 0.40567 17. LP*( 3) B 6 0.40567 18. LP*( 4) B 6 0.32661 63. RY*( 1) B 6 0.00091 64. RY*( 2) B 6 0.00055 65. RY*( 3) B 6 0.00055 66. RY*( 4) B 6 0.00039 67. RY*( 5) B 6 0.00027 68. RY*( 6) B 6 0.00007 69. RY*( 7) B 6 0.00003 70. RY*( 8) B 6 0.00002 71. RY*( 9) B 6 0.00002 72. RY*( 10) B 6 0.00000 ------------------------------- Total Lewis 0.99920 ( 37.9064%) Valence non-Lewis 1.63395 ( 61.9869%) Rydberg non-Lewis 0.00281 ( 0.1067%) ------------------------------- Total unit 6 2.63597 (100.0000%) Charge unit 6 2.36403 Molecular unit 7 (B) 3. CR ( 1) B 7 0.99920 19. LP*( 1) B 7 0.49600 20. LP*( 2) B 7 0.40567 21. LP*( 3) B 7 0.40567 22. LP*( 4) B 7 0.32661 73. RY*( 1) B 7 0.00091 74. RY*( 2) B 7 0.00055 75. RY*( 3) B 7 0.00055 76. RY*( 4) B 7 0.00039 77. RY*( 5) B 7 0.00027 78. RY*( 6) B 7 0.00007 79. RY*( 7) B 7 0.00003 80. RY*( 8) B 7 0.00002 81. RY*( 9) B 7 0.00002 82. RY*( 10) B 7 0.00000 ------------------------------- Total Lewis 0.99920 ( 37.9064%) Valence non-Lewis 1.63395 ( 61.9868%) Rydberg non-Lewis 0.00281 ( 0.1067%) ------------------------------- Total unit 7 2.63597 (100.0000%) Charge unit 7 2.36403 Molecular unit 8 (B) 4. CR ( 1) B 8 0.99920 23. LP*( 1) B 8 0.49600 24. LP*( 2) B 8 0.40567 25. LP*( 3) B 8 0.40567 26. LP*( 4) B 8 0.32661 83. RY*( 1) B 8 0.00091 84. RY*( 2) B 8 0.00055 85. RY*( 3) B 8 0.00055 86. RY*( 4) B 8 0.00039 87. RY*( 5) B 8 0.00027 88. RY*( 6) B 8 0.00007 89. RY*( 7) B 8 0.00003 90. RY*( 8) B 8 0.00002 91. RY*( 9) B 8 0.00002 92. RY*( 10) B 8 0.00000 ------------------------------- Total Lewis 0.99920 ( 37.9064%) Valence non-Lewis 1.63395 ( 61.9868%) Rydberg non-Lewis 0.00281 ( 0.1067%) ------------------------------- Total unit 8 2.63597 (100.0000%) Charge unit 8 2.36403 Molecular unit 9 (B) 5. CR ( 1) B 9 0.99920 27. LP*( 1) B 9 0.49600 28. LP*( 2) B 9 0.40567 29. LP*( 3) B 9 0.40567 30. LP*( 4) B 9 0.32661 93. RY*( 1) B 9 0.00091 94. RY*( 2) B 9 0.00055 95. RY*( 3) B 9 0.00055 96. RY*( 4) B 9 0.00039 97. RY*( 5) B 9 0.00027 98. RY*( 6) B 9 0.00007 99. RY*( 7) B 9 0.00003 100. RY*( 8) B 9 0.00002 101. RY*( 9) B 9 0.00002 102. RY*( 10) B 9 0.00000 ------------------------------- Total Lewis 0.99920 ( 37.9064%) Valence non-Lewis 1.63395 ( 61.9869%) Rydberg non-Lewis 0.00281 ( 0.1067%) ------------------------------- Total unit 9 2.63597 (100.0000%) Charge unit 9 2.36403 Molecular unit 10 (B) 6. CR ( 1) B 10 0.99920 31. LP*( 1) B 10 0.49600 32. LP*( 2) B 10 0.40567 33. LP*( 3) B 10 0.40567 34. LP*( 4) B 10 0.32661 103. RY*( 1) B 10 0.00091 104. RY*( 2) B 10 0.00055 105. RY*( 3) B 10 0.00055 106. RY*( 4) B 10 0.00039 107. RY*( 5) B 10 0.00027 108. RY*( 6) B 10 0.00007 109. RY*( 7) B 10 0.00002 110. RY*( 8) B 10 0.00002 111. RY*( 9) B 10 0.00002 112. RY*( 10) B 10 0.00000 ------------------------------- Total Lewis 0.99920 ( 37.9065%) Valence non-Lewis 1.63395 ( 61.9868%) Rydberg non-Lewis 0.00281 ( 0.1067%) ------------------------------- Total unit 10 2.63596 (100.0000%) Charge unit 10 2.36404 Molecular unit 11 (H) 35. LP*( 1) H 11 0.53041 113. RY*( 1) H 11 0.00024 114. RY*( 2) H 11 0.00003 115. RY*( 3) H 11 0.00003 116. RY*( 4) H 11 0.00000 ------------------------------- Total Lewis 0.00000 ( 0.0000%) Valence non-Lewis 0.53041 ( 99.9441%) Rydberg non-Lewis 0.00030 ( 0.0559%) ------------------------------- Total unit 11 0.53070 (100.0000%) Charge unit 11 0.46930 Molecular unit 12 (H) 36. LP*( 1) H 12 0.53041 117. RY*( 1) H 12 0.00024 118. RY*( 2) H 12 0.00003 119. RY*( 3) H 12 0.00003 120. RY*( 4) H 12 0.00000 ------------------------------- Total Lewis 0.00000 ( 0.0000%) Valence non-Lewis 0.53041 ( 99.9441%) Rydberg non-Lewis 0.00030 ( 0.0559%) ------------------------------- Total unit 12 0.53070 (100.0000%) Charge unit 12 0.46930 1\1\GINC-CX1-15-34-1\SP\ROB3LYP\6-31G(d,p)\B6H6(2-)\SCAN-USER-1\21-Nov -2013\0\\# rob3lyp/6-31g(d,p) nosymm pop=(nbo,full) geom=connectivity int=ultrafine scf=conver=9\\B6H6 energy\\-2,1\H,0,-1.14093366,-0.57503 283,0.76350416\H,0,2.30929364,-0.61135345,1.01426145\H,0,2.29523841,2. 77974648,1.69883701\H,0,-1.15499194,2.81607367,1.44805777\B,0,0.487440 47,0.85987942,2.43052099\B,0,1.4388465,1.94363337,1.46569251\B,0,-0.29 158279,1.96185709,1.33995935\B,0,1.44588678,0.24286257,1.12238289\B,0, -0.28454403,0.26108969,0.99662346\B,0,0.66686011,1.34483628,0.03180716 \H,0,0.75603963,1.58582404,-1.16017122\H,0,0.39826444,0.61889669,3.622 50059\\Version=ES64L-G09RevD.01\HF=-152.6576548\RMSD=2.452e-10\Dipole= 0.,0.,-0.0000001\Quadrupole=4.9155543,-1.3844815,-3.5310728,-4.5440345 ,-5.0749996,-9.6932485\PG=C01 [X(B6H6)]\\@ CHRISTMAS IS ON TOP OF A STEEP HILL. THE CLOSER YOU GET, THE STEEPER THE HILL IS. -- LINUS, OF PEANUTS Job cpu time: 0 days 0 hours 2 minutes 4.1 seconds. File lengths (MBytes): RWF= 8 Int= 0 D2E= 0 Chk= 2 Scr= 1 Normal termination of Gaussian 09 at Thu Nov 21 12:06:15 2013.