Gaussian 09 8-Oct-2019 Gaussian 09 30-Nov-2015 ES64L-G09RevE.01 174 C1[X(C29H20FeN5O5)] UM06L Gen SP #pguess=read Integral=UltraFine gen scrf=(smd, solvent=h2o) pseudo=readscf=xqc um06l pop=(regular, npa) 554.1858 0 6 AuxInfo=1/1/N:7,12,8,11,6,13,9,10,5,14,3,15,19,18,2,4,16,17;49,50,48,51,46,45,53,47,52,44;33,34,32,35,30,29,31,36,28,37;1;26/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16,17,18);;;;/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13-1,14.2,15.1,16-1,17.1,18.1;1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.2;1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.2,10.2;;/rA:60FeO1C3OC3C3C3C3C3C3C3C3C3C3C3O1O1N2NHHHHHHOHN2C3C3C3C3C3C3C3C3N2HHHHHHN2C3C3C3C3C3C3C3C3C3HHHHHHH/rB:;s2;s1s3;s3;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s15;s10s14;s1s5s9;s6;s7;s8;s11;s12;s13;s1;s26;;s28;s29;s30;s31;s32;s33;s34;s31s35;s28s36;s29;s30;s32;s33;s34;s35;;s44;s45;s46;s47;s48;s49;s50;s47s51;s44s52;s45;s46;s48;s49;s50;s51;s53;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /ichec/packages/gaussian/09e01/l1.exe "/localscratch/418462/Gau-21761.inp" -scrdir="/localscratch/418462/" chk=Fe_oct_desorbed_2_OH_HSm06l.chk nprocshared=40 mem=100GB #p guess=read Integral=UltraFine gen scrf=(smd, solvent=h2o) pseudo=re 1/38=1/1 2/12=2,17=6,18=5,40=1/2 3/5=7,11=2,16=1,17=8,25=1,30=1,70=32201,72=1,74=-53,75=-5,116=2/1,2,3 4/5=1/1 5/5=2,8=3,13=1,38=6,53=1/2,8 6/28=1,40=-1/1,7 99/5=1,9=1/99 /home/michael/molsimp_comfiles/Fe_oct_desorbed_2_OH/Fe_oct_desorbed_2_ 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 56 16 12 16 12 12 12 12 12 12 12 12 12 12 12 16 16 14 14 1 1 1 1 1 1 16 1 14 12 12 12 12 12 12 12 12 14 1 1 1 1 1 1 14 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 55.9349393 15.9949146 12.0000000 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 15.9949146 15.9949146 14.0030740 14.0030740 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 14.0030740 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 2 1 1 1 1 1 1 0 1 2 0 0 0 0 0 0 0 0 2 1 1 1 1 1 1 2 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 (Enter /ichec/packages/gaussian/09e01/l101.exe) NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 27730 NPrTT= 156180 LenC2= 20622 LenP2D= 62965. LDataN: DoStor=T MaxTD1= 6 Len= 172 NBasis= 715 RedAO= T EigKep= 4.30D-05 NBF= 715 NBsUse= 715 1.00D-06 EigRej= -1.00D+00 NBFU= 715 (5D, 7F) 20 21 22 23 24 25 27 38 39 40 41 42 43 54 55 56 57 58 59 60 6-31g(d,p) 3 5 6 7 8 9 10 11 12 13 14 15 29 30 31 32 33 34 35 36 45 46 47 48 49 50 51 52 53 6-31g(d) 1 lanl2dz F 1 1.0 2.4620000000e+00 1.0000000000e+00 2 4 16 17 26 6-31+g(d) 18 19 28 37 44 6-31+g(d) 1 26 16 D and up 1 2 2 392.6149787 71.1756979 17.7320281 -10.00000000 -63.26675180 -10.96133380 0.00000000 0.00000000 0.00000000 S - D 0 1 2 2 2 126.0571895 138.1264251 54.2098858 9.2837966 8.6289082 3.00000000 18.17291370 339.12311640 317.10680120 -207.34216490 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 P - D 0 1 2 2 2 83.1759490 106.0559938 42.8284937 8.7701805 8.0397818 5.00000000 5.95359300 294.26655270 154.42446350 -95.31642490 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 8 No pseudopotential on this center. 3 6 No pseudopotential on this center. 4 8 No pseudopotential on this center. 5 6 No pseudopotential on this center. 6 6 No pseudopotential on this center. 7 6 No pseudopotential on this center. 8 6 No pseudopotential on this center. 9 6 No pseudopotential on this center. 10 6 No pseudopotential on this center. 11 6 No pseudopotential on this center. 12 6 No pseudopotential on this center. 13 6 No pseudopotential on this center. 14 6 No pseudopotential on this center. 15 6 No pseudopotential on this center. 16 8 No pseudopotential on this center. 17 8 No pseudopotential on this center. 18 7 No pseudopotential on this center. 19 7 No pseudopotential on this center. 20 1 No pseudopotential on this center. 21 1 No pseudopotential on this center. 22 1 No pseudopotential on this center. 23 1 No pseudopotential on this center. 24 1 No pseudopotential on this center. 25 1 No pseudopotential on this center. 26 8 No pseudopotential on this center. 27 1 No pseudopotential on this center. 28 7 No pseudopotential on this center. 29 6 No pseudopotential on this center. 30 6 No pseudopotential on this center. 31 6 No pseudopotential on this center. 32 6 No pseudopotential on this center. 33 6 No pseudopotential on this center. 34 6 No pseudopotential on this center. 35 6 No pseudopotential on this center. 36 6 No pseudopotential on this center. 37 7 No pseudopotential on this center. 38 1 No pseudopotential on this center. 39 1 No pseudopotential on this center. 40 1 No pseudopotential on this center. 41 1 No pseudopotential on this center. 42 1 No pseudopotential on this center. 43 1 No pseudopotential on this center. 44 7 No pseudopotential on this center. 45 6 No pseudopotential on this center. 46 6 No pseudopotential on this center. 47 6 No pseudopotential on this center. 48 6 No pseudopotential on this center. 49 6 No pseudopotential on this center. 50 6 No pseudopotential on this center. 51 6 No pseudopotential on this center. 52 6 No pseudopotential on this center. 53 6 No pseudopotential on this center. 54 1 No pseudopotential on this center. 55 1 No pseudopotential on this center. 56 1 No pseudopotential on this center. 57 1 No pseudopotential on this center. 58 1 No pseudopotential on this center. 59 1 No pseudopotential on this center. 60 1 No pseudopotential on this center. 0.10000e-02 0.10000e-05 F 1 558 IExCor= 4134 DFT=T Ex+Corr=M06L ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi= 4 60 60 60 1.00e+00 60 T PCM (using non-symmetric T matrix) SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 C29H20FeN5O5(6) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 554.1858 AuxInfo=1/1/N:7,12,8,11,6,13,9,10,5,14,3,15,19,18,2,4,16,17;49,50,48,51,46,45,53,47,52,44;33,34,32,35,30,29,31,36,28,37;1;26/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16,17,18);;;;/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13-1,14.2,15.1,16-1,17.1,18.1;1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.2;1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.2,10.2;;/rA:60FeO1C3OC3C3C3C3C3C3C3C3C3C3C3O1O1N2NHHHHHHOHN2C3C3C3C3C3C3C3C3N2HHHHHHN2C3C3C3C3C3C3C3C3C3HHHHHHH/rB:;s2;s1s3;s3;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s15;s10s14;s1s5s9;s6;s7;s8;s11;s12;s13;s1;s26;;s28;s29;s30;s31;s32;s33;s34;s31s35;s28s36;s29;s30;s32;s33;s34;s35;;s44;s45;s46;s47;s48;s49;s50;s47s51;s44s52;s45;s46;s48;s49;s50;s51;s53;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.1260284 0.0661062 0.0595181 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 702 705 708 710 710 MxSgAt= 60 MxSgA2= 60. 1 open 1 1 1 -1890.53012415793 -1890.53475163863 -0.004627480703 -1890.49046980940 0.044281829233 -1890.54538149138 -0.054911681982 -1890.55003007551 -0.004648584127 -1890.55037719847 -0.000347122962 -1890.55045172765 -0.000074529178 -1890.55046034035 -0.000008612700 -1890.55046114410 -0.000000803755 -1890.55046134024 -0.000000196133 -1890.55046135430 -0.000000014065 -1890.55046135635 -0.000000002054 -1890.55046135700 -0.000000000644 -1890.55046135715 -0.000000000156 -1890.55046135717 -0.000000000012 -1890.55046135719 -0.000000000025 -1890.55046136 16 8.7583 1.825665730636e+03 -1.396485778891e+04 5.468634941505e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. IVT= 1770169 IEndB= 1770169 NGot= 13421772800 MDV= 13420583696 LenX= 13420583696 LenY= 13420006856 Requested convergence on RMS density matrix=1.00D-08 within 64 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. 8.7583 alpha 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 O O O O O O O O O O V V V V V -0.252512 -0.250411 -0.247352 -0.244559 -0.238065 -0.230842 -0.225138 -0.220602 -0.217569 -0.208118 -0.112271 -0.105098 -0.092547 -0.087523 -0.071679 1.303440 2.343550 2.473678 1.610063 2.526230 1.260899 2.981452 2.175163 1.240603 4.079041 1.687811 1.632804 1.607463 1.474884 1.663353 beta 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 O O O O O V V V V V V V V V V -0.241331 -0.233601 -0.230473 -0.220308 -0.217255 -0.177432 -0.163570 -0.154540 -0.130524 -0.110305 -0.101615 -0.098835 -0.090766 -0.085948 -0.070207 2.131506 2.197988 1.313489 2.177786 1.245987 6.485114 6.131235 6.055964 6.458203 1.917219 1.914582 6.024382 1.705027 1.571476 1.722072 1.825665730636D+03 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 Fe O C O C C C C C C C C C C C O O N N H H H H H H O H N C C C C C C C C N H H H H H H N C C C C C C C C C H H H H H H H 57 17 13 17 13 13 13 13 13 13 13 13 13 13 13 17 17 14 14 1 1 1 1 1 1 17 1 14 13 13 13 13 13 13 13 13 14 1 1 1 1 1 1 14 13 13 13 13 13 13 13 13 13 1 1 1 1 1 1 1 0.00001 0.00856 -0.00659 0.08755 -0.00226 0.00141 0.00066 0.00215 -0.00161 -0.00198 0.00200 -0.00007 0.00372 0.00040 0.00150 0.00027 0.00077 0.10179 0.09100 0.00056 -0.00002 0.00052 0.00051 0.00010 0.00050 0.13255 0.00089 0.14411 0.00361 0.00281 -0.00111 0.00060 -0.00043 0.00040 -0.00062 0.00708 0.01797 0.00043 0.00066 -0.00001 0.00005 0.00004 0.00006 0.12140 -0.00011 0.00364 -0.00060 0.00027 0.00004 0.00029 0.00040 0.00412 -0.00158 0.00102 0.00051 -0.00002 -0.00001 0.00008 -0.00000 0.00148 0.00030 -1.03834 -1.48246 -10.61485 -0.50764 0.31695 0.14768 0.48434 -0.36147 -0.44455 0.45009 -0.01602 0.83535 0.09027 0.33791 -0.03313 -0.09367 6.57771 5.88029 0.50030 -0.01913 0.46920 0.45278 0.08618 0.44828 -16.06991 0.79303 9.31235 0.81278 0.63287 -0.24947 0.13516 -0.09725 0.08977 -0.13987 1.59094 1.16099 0.38325 0.58559 -0.01298 0.04384 0.03444 0.05230 7.84473 -0.02442 0.81738 -0.13575 0.06158 0.00853 0.06592 0.08973 0.92695 -0.35467 0.90903 0.45591 -0.02078 -0.00554 0.07282 -0.00241 1.32350 0.00011 -0.37050 -0.52898 -3.78764 -0.18114 0.11310 0.05270 0.17282 -0.12898 -0.15863 0.16060 -0.00572 0.29807 0.03221 0.12057 -0.01182 -0.03343 2.34709 2.09823 0.17852 -0.00683 0.16742 0.16156 0.03075 0.15996 -5.73414 0.28297 3.32288 0.29002 0.22582 -0.08902 0.04823 -0.03470 0.03203 -0.04991 0.56769 0.41427 0.13675 0.20895 -0.00463 0.01564 0.01229 0.01866 2.79920 -0.00871 0.29166 -0.04844 0.02197 0.00304 0.02352 0.03202 0.33076 -0.12655 0.32437 0.16268 -0.00742 -0.00198 0.02598 -0.00086 0.47226 0.00010 -0.34635 -0.49450 -3.54073 -0.16933 0.10572 0.04926 0.16156 -0.12057 -0.14829 0.15013 -0.00534 0.27864 0.03011 0.11271 -0.01105 -0.03125 2.19409 1.96145 0.16688 -0.00638 0.15651 0.15103 0.02875 0.14953 -5.36035 0.26453 3.10627 0.27111 0.21110 -0.08321 0.04508 -0.03244 0.02994 -0.04666 0.53068 0.38727 0.12784 0.19533 -0.00433 0.01462 0.01149 0.01744 2.61672 -0.00814 0.27265 -0.04528 0.02054 0.00285 0.02199 0.02993 0.30920 -0.11830 0.30322 0.15208 -0.00693 -0.00185 0.02429 -0.00080 0.44147 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 -0.107340 -0.000780 -0.044064 -0.175143 -0.029819 -0.010494 -0.005324 -0.009324 -0.028558 -0.028521 -0.009202 -0.004941 -0.009784 -0.025333 -0.018274 -0.010907 -0.019748 -0.107881 -0.111547 -0.005734 -0.003417 -0.005151 -0.005185 -0.003185 -0.004994 0.290402 -0.058239 0.262201 0.034014 0.018297 0.013044 0.004964 0.004831 0.003257 0.006862 0.024845 0.061434 0.014718 0.007172 0.004059 0.002299 0.002039 0.003321 0.265369 0.033129 0.018213 0.011899 0.004934 0.003387 0.003819 0.005564 0.019748 0.038850 0.012572 0.006858 0.003917 0.002436 0.002057 0.003308 0.015381 0.184364 -0.046312 0.009063 0.468216 -0.010115 -0.008869 -0.005957 -0.006522 0.004647 0.018855 0.013457 0.009853 0.020770 0.042458 0.016590 0.008462 0.001720 0.223744 -0.125834 -0.003130 -0.003244 -0.000821 0.004080 0.005729 0.008638 -0.369710 -0.003772 -0.147266 -0.005121 -0.009964 -0.004338 -0.003363 -0.000684 -0.001667 0.000070 -0.012330 -0.018588 0.002479 -0.002594 -0.002018 -0.000971 -0.000363 0.001298 -0.137324 -0.015674 -0.010307 -0.005506 -0.002713 -0.001530 -0.001432 -0.001171 -0.009012 -0.009753 -0.003372 -0.003454 -0.002020 -0.001096 -0.000481 0.000338 0.003216 -0.077024 0.047092 0.035001 -0.293072 0.039934 0.019364 0.011281 0.015846 0.023911 0.009666 -0.004254 -0.004912 -0.010986 -0.017125 0.001684 0.002445 0.018027 -0.115863 0.237380 0.008865 0.006661 0.005972 0.001106 -0.002544 -0.003644 0.079308 0.062011 -0.114935 -0.028893 -0.008333 -0.008707 -0.001602 -0.004146 -0.001590 -0.006931 -0.012515 -0.042846 -0.017197 -0.004579 -0.002041 -0.001327 -0.001676 -0.004618 -0.128045 -0.017456 -0.007906 -0.006393 -0.002221 -0.001857 -0.002387 -0.004393 -0.010736 -0.029097 -0.009200 -0.003404 -0.001897 -0.001340 -0.001576 -0.003645 -0.018597 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 0.135266 -0.001919 -0.000977 0.003162 -0.002747 -0.000425 0.000461 0.000814 0.002697 -0.000780 -0.000205 -0.000732 -0.003339 -0.005047 -0.001281 -0.005681 0.012616 -0.017423 0.004252 -0.000362 0.000100 0.000439 -0.000160 -0.000579 -0.001112 -0.335401 0.037840 0.000559 0.027876 0.004449 -0.000717 -0.000690 -0.001457 -0.003014 -0.006450 -0.010002 -0.023898 0.025437 0.004716 0.000355 -0.000859 -0.002325 -0.007208 0.039339 -0.018240 -0.002548 0.001854 0.000907 0.001430 0.002796 0.006186 0.009788 0.030179 -0.020804 -0.003614 -0.000009 0.000960 0.002118 0.006147 0.035145 -0.020469 0.003709 0.006275 -0.016187 0.004821 0.001813 0.001468 0.002547 0.003871 -0.001227 -0.000500 -0.000313 -0.000279 0.002343 0.000739 0.006898 -0.010134 -0.006938 0.023930 0.001184 0.000914 0.000884 -0.000062 -0.000146 0.000231 0.167989 -0.039393 0.016517 0.011981 0.002581 0.000981 0.000078 -0.000081 -0.000623 -0.001160 -0.001223 -0.005598 0.010232 0.001986 0.000370 -0.000096 -0.000512 -0.001640 -0.030867 -0.021948 -0.006154 -0.001986 -0.000602 0.000042 0.000840 0.002299 0.000741 0.008158 -0.017235 -0.004139 -0.001012 -0.000040 0.000696 0.002589 0.016070 -0.001527 -0.022254 -0.035165 -0.136486 -0.019203 -0.004321 0.002033 0.008837 0.029253 0.028929 0.011692 0.003811 0.001428 -0.013632 -0.020477 -0.007952 -0.023761 0.090367 0.046206 -0.004592 0.000993 0.006307 0.006923 0.002244 -0.002747 0.204517 -0.066068 -0.010825 0.008910 -0.000163 0.001738 -0.000588 0.001064 -0.000189 0.001682 -0.000434 0.005522 0.008711 0.000927 0.000031 0.000075 0.000304 0.001390 -0.018358 0.011879 -0.000575 0.000819 -0.000610 -0.000321 0.000165 0.001719 -0.001029 0.010354 0.012775 0.001543 0.000047 -0.000013 0.000420 0.002205 0.014126 0.9123 -0.353 0.2077 -0.1832 0.1019 0.9778 0.3663 0.9301 -0.0283 -0.1643 -0.0733 0.2377 -2.845 -1.27 4.115 -1.015 -0.453 1.468 -0.949 -0.424 1.373 1 Fe 57 0.0209 0.9754 0.2197 0.9969 -0.0037 -0.0785 0.0757 -0.2206 0.9724 -0.0514 -0.0011 0.0524 3.717 0.077 -3.794 1.326 0.027 -1.354 1.24 0.026 -1.265 2 O 17 0.994 -0.0467 -0.0989 0.0946 0.8208 0.5633 0.0549 -0.5693 0.8203 -0.0446 -0.0152 0.0598 -5.991 -2.038 8.028 -2.138 -0.727 2.865 -1.998 -0.68 2.678 3 C 13 0.1069 0.1695 0.9797 0.9942 -0.027 -0.1038 0.0088 0.9852 -0.1715 -0.3185 -0.1735 0.492 23.043 12.557 -35.601 8.222 4.481 -12.703 7.686 4.189 -11.875 4 O 17 0.9946 0.0952 -0.0422 -0.0763 0.942 0.3267 0.0709 -0.3217 0.9442 -0.0303 -0.0166 0.0468 -4.064 -2.221 6.286 -1.45 -0.793 2.243 -1.356 -0.741 2.097 5 C 13 0.989 0.1423 -0.0393 -0.1346 0.9787 0.155 0.0605 -0.148 0.9871 -0.0106 -0.0095 0.0201 -1.426 -1.274 2.7 -0.509 -0.455 0.964 -0.476 -0.425 0.901 6 C 13 -0.3243 0.9424 -0.0819 0.9418 0.3135 -0.1214 0.0887 0.1165 0.9892 -0.0063 -0.0054 0.0117 -0.844 -0.719 1.564 -0.301 -0.257 0.558 -0.282 -0.24 0.522 7 C 13 0.6589 0.6879 -0.3043 0.7464 -0.6482 0.1509 0.0934 0.3265 0.9406 -0.0097 -0.0095 0.0192 -1.295 -1.277 2.572 -0.462 -0.456 0.918 -0.432 -0.426 0.858 8 C 13 0.9979 -0.0318 -0.0556 -0.0068 0.8105 -0.5858 0.0637 0.5849 0.8086 -0.0289 -0.0165 0.0454 -3.873 -2.217 6.089 -1.382 -0.791 2.173 -1.292 -0.739 2.031 9 C 13 0.9993 -0.0058 0.0365 -0.0315 -0.6495 0.7597 -0.0193 0.7603 0.6493 -0.0286 -0.015 0.0436 -3.833 -2.015 5.848 -1.368 -0.719 2.087 -1.278 -0.672 1.951 10 C 13 0.3397 -0.4144 0.8443 0.9404 0.1633 -0.2982 -0.0143 0.8953 0.4452 -0.0102 -0.0091 0.0193 -1.368 -1.218 2.586 -0.488 -0.435 0.923 -0.456 -0.406 0.863 11 C 13 0.1474 -0.2267 0.9628 0.9878 0.0827 -0.1317 -0.0498 0.9705 0.2361 -0.0059 -0.005 0.0108 -0.786 -0.666 1.452 -0.28 -0.238 0.518 -0.262 -0.222 0.484 12 C 13 0.1374 -0.03 0.9901 0.9847 0.1126 -0.1332 -0.1075 0.9932 0.045 -0.0111 -0.0101 0.0212 -1.485 -1.359 2.844 -0.53 -0.485 1.015 -0.495 -0.453 0.949 13 C 13 0.9768 0.0297 -0.2123 0.2004 0.2249 0.9536 -0.0761 0.9739 -0.2137 -0.026 -0.0198 0.0458 -3.488 -2.663 6.152 -1.245 -0.95 2.195 -1.164 -0.888 2.052 14 C 13 0.9993 0.0375 0.0015 -0.0228 0.5728 0.8194 -0.0299 0.8188 -0.5732 -0.0183 -0.0127 0.031 -2.458 -1.698 4.156 -0.877 -0.606 1.483 -0.82 -0.566 1.386 15 C 13 0.9353 0.118 -0.3335 0.1869 0.6356 0.7491 -0.3004 0.763 -0.5724 -0.0141 -0.0026 0.0167 1.019 0.187 -1.206 0.364 0.067 -0.43 0.34 0.062 -0.402 16 O 17 0.8963 -0.4422 -0.0326 0.3613 0.6856 0.6321 -0.2571 -0.5783 0.7742 -0.0256 -0.0135 0.0391 1.853 0.98 -2.832 0.661 0.35 -1.011 0.618 0.327 -0.945 17 O 17 0.0839 -0.2373 0.9678 0.9951 0.0709 -0.0689 -0.0523 0.9688 0.2421 -0.1386 -0.1086 0.2473 -5.346 -4.19 9.536 -1.908 -1.495 3.403 -1.783 -1.398 3.181 18 N 14 -0.0669 0.9906 -0.1197 0.9954 0.0581 -0.0756 0.068 0.1242 0.9899 -0.1317 -0.1131 0.2448 -5.079 -4.363 9.442 -1.812 -1.557 3.369 -1.694 -1.455 3.15 19 N 14 0.9966 -0.0063 -0.0822 0.0322 0.9475 0.3183 0.0759 -0.3198 0.9444 -0.0058 -0.0047 0.0105 -3.11 -2.5 5.61 -1.11 -0.892 2.002 -1.038 -0.834 1.871 20 H 1 0.9942 -0.0685 -0.0827 0.0597 0.9928 -0.104 0.0892 0.0985 0.9911 -0.0035 -0.0033 0.0068 -1.868 -1.783 3.65 -0.666 -0.636 1.303 -0.623 -0.595 1.218 21 H 1 0.9907 0.0688 -0.117 -0.1188 0.8566 -0.5021 0.0657 0.5114 0.8568 -0.0052 -0.0046 0.0098 -2.788 -2.443 5.231 -0.995 -0.872 1.866 -0.93 -0.815 1.745 22 H 1 0.9972 0.0551 -0.0507 0.074 -0.6261 0.7762 -0.011 0.7778 0.6284 -0.0052 -0.0045 0.0097 -2.77 -2.393 5.162 -0.988 -0.854 1.842 -0.924 -0.798 1.722 23 H 1 0.998 0.0621 0.0101 0.0054 -0.2457 0.9693 -0.0626 0.9674 0.2455 -0.0032 -0.0031 0.0063 -1.719 -1.661 3.38 -0.613 -0.593 1.206 -0.573 -0.554 1.128 24 H 1 0.9968 0.079 -0.009 -0.0076 0.2081 0.9781 -0.0791 0.9749 -0.208 -0.0051 -0.0042 0.0093 -2.713 -2.257 4.97 -0.968 -0.805 1.773 -0.905 -0.753 1.658 25 H 1 0.3855 0.8538 -0.3498 -0.0964 0.4144 0.905 0.9177 -0.3151 0.2421 -0.6049 0.155 0.4499 43.773 -11.219 -32.554 15.619 -4.003 -11.616 14.601 -3.742 -10.859 26 O 17 0.9108 -0.4078 0.0639 0.2942 0.7499 0.5926 -0.2896 -0.521 0.803 -0.0779 -0.0411 0.1191 -41.586 -21.951 63.538 -14.839 -7.833 22.672 -13.872 -7.322 21.194 27 H 1 -0.0131 0.9552 0.2958 -0.0416 -0.2961 0.9543 0.999 2.0E-4 0.0437 -0.1506 -0.1123 0.2629 -5.809 -4.331 10.14 -2.073 -1.545 3.618 -1.938 -1.445 3.382 28 N 14 -0.0716 -0.2458 0.9667 -0.4882 0.8538 0.1809 0.8698 0.459 0.1811 -0.032 -0.0192 0.0512 -4.3 -2.573 6.873 -1.534 -0.918 2.453 -1.434 -0.858 2.293 29 C 13 -0.1676 0.9562 0.2399 -0.0515 -0.2515 0.9665 0.9845 0.1496 0.0914 -0.0108 -0.0084 0.0192 -1.447 -1.131 2.578 -0.516 -0.404 0.92 -0.483 -0.377 0.86 30 C 13 -0.0518 -0.3323 0.9417 0.0208 0.9424 0.3337 0.9984 -0.0368 0.0419 -0.0094 -0.0037 0.0131 -1.258 -0.502 1.759 -0.449 -0.179 0.628 -0.42 -0.167 0.587 31 C 13 0.0747 0.957 0.2802 -0.0417 -0.2778 0.9597 0.9963 -0.0833 0.0192 -0.0036 -0.0014 0.005 -0.482 -0.193 0.674 -0.172 -0.069 0.241 -0.161 -0.064 0.225 32 C 13 -0.0362 -0.284 0.9581 0.2462 0.9267 0.284 0.9685 -0.2462 -0.0364 -0.0045 -7.0E-4 0.0052 -0.598 -0.1 0.698 -0.213 -0.036 0.249 -0.2 -0.033 0.233 33 C 13 0.4279 0.8642 0.2646 -0.046 -0.2716 0.9613 0.9027 -0.4235 -0.0764 -0.0032 -0.0015 0.0047 -0.432 -0.202 0.634 -0.154 -0.072 0.226 -0.144 -0.067 0.211 34 C 13 -0.0347 -0.2503 0.9675 0.5282 0.8173 0.2304 0.8484 -0.519 -0.1038 -0.0073 -0.0036 0.0109 -0.983 -0.486 1.469 -0.351 -0.174 0.524 -0.328 -0.162 0.49 35 C 13 0.2417 0.9305 0.2753 -0.0419 -0.2734 0.961 0.9695 -0.2438 -0.0271 -0.0151 -0.0123 0.0274 -2.02 -1.656 3.676 -0.721 -0.591 1.312 -0.674 -0.552 1.226 36 C 13 0.0049 -0.2076 0.9782 0.2749 0.9408 0.1983 0.9615 -0.2679 -0.0617 -0.044 -0.0244 0.0685 -1.699 -0.941 2.64 -0.606 -0.336 0.942 -0.567 -0.314 0.881 37 N 14 -0.0814 -0.2728 0.9586 -0.6426 0.7496 0.1588 0.7619 0.6031 0.2363 -0.0205 -0.0175 0.038 -10.962 -9.327 20.289 -3.911 -3.328 7.24 -3.656 -3.111 6.768 38 H 1 -0.0467 -0.2833 0.9579 -0.3994 0.8842 0.242 0.9156 0.3713 0.1545 -0.0049 -0.0045 0.0094 -2.641 -2.385 5.026 -0.942 -0.851 1.793 -0.881 -0.796 1.676 39 H 1 -0.0393 -0.3114 0.9495 -0.0739 0.9485 0.308 0.9965 0.0581 0.0603 -0.0021 -0.002 0.0041 -1.103 -1.086 2.189 -0.393 -0.388 0.781 -0.368 -0.362 0.73 40 H 1 -0.0433 -0.2903 0.956 0.2377 0.9264 0.2921 0.9704 -0.2399 -0.0288 -0.0013 -0.0012 0.0025 -0.718 -0.623 1.341 -0.256 -0.222 0.479 -0.24 -0.208 0.447 41 H 1 0.529 0.8314 0.1699 0.0068 -0.2044 0.9789 0.8486 -0.5166 -0.1138 -0.0018 -0.0017 0.0035 -0.95 -0.93 1.88 -0.339 -0.332 0.671 -0.317 -0.31 0.627 42 H 1 0.6257 0.6105 0.4856 -0.2257 -0.4542 0.8618 0.7467 -0.6489 -0.1464 -0.005 -0.0049 0.0099 -2.659 -2.626 5.285 -0.949 -0.937 1.886 -0.887 -0.876 1.763 43 H 1 -0.0339 0.8142 0.5796 0.1234 -0.5721 0.8109 0.9918 0.099 -0.0811 -0.152 -0.1198 0.2718 -5.863 -4.62 10.483 -2.092 -1.649 3.741 -1.956 -1.541 3.497 44 N 14 0.1243 -0.5615 0.8181 0.4555 0.7647 0.4558 0.8815 -0.316 -0.3508 -0.0289 -0.0195 0.0484 -3.884 -2.611 6.495 -1.386 -0.932 2.318 -1.296 -0.871 2.166 45 C 13 0.1759 0.8568 0.4846 0.1461 -0.5096 0.8479 0.9735 -0.0784 -0.2148 -0.0112 -0.0086 0.0198 -1.497 -1.157 2.654 -0.534 -0.413 0.947 -0.499 -0.386 0.885 46 C 13 0.1383 -0.5373 0.832 -0.0277 0.8376 0.5455 0.99 0.0985 -0.1009 -0.0073 -0.005 0.0123 -0.973 -0.675 1.649 -0.347 -0.241 0.588 -0.325 -0.225 0.55 47 C 13 -0.0565 0.8504 0.523 0.1415 -0.5118 0.8474 0.9883 0.1219 -0.0915 -0.0031 -0.002 0.0051 -0.422 -0.262 0.685 -0.151 -0.094 0.244 -0.141 -0.087 0.228 48 C 13 -0.1875 0.7141 0.6745 0.1813 -0.6497 0.7382 0.9654 0.2607 -0.0077 -0.0022 -0.0016 0.0038 -0.296 -0.21 0.506 -0.106 -0.075 0.181 -0.099 -0.07 0.169 49 C 13 -0.3866 0.7473 0.5404 0.1293 -0.5363 0.8341 0.9131 0.3924 0.1107 -0.0028 -0.0024 0.0051 -0.37 -0.317 0.687 -0.132 -0.113 0.245 -0.124 -0.106 0.229 50 C 13 0.1947 -0.6213 0.759 -0.5052 0.5998 0.6205 0.8407 0.5043 0.1971 -0.0052 -0.0046 0.0098 -0.699 -0.618 1.317 -0.249 -0.22 0.47 -0.233 -0.206 0.439 51 C 13 -0.2581 0.8181 0.5139 0.1412 -0.4943 0.8577 0.9557 0.294 0.0121 -0.0127 -0.01 0.0228 -1.71 -1.345 3.055 -0.61 -0.48 1.09 -0.571 -0.449 1.019 52 C 13 0.1125 -0.5035 0.8566 -0.4446 0.7455 0.4966 0.8886 0.4368 0.14 -0.0341 -0.0209 0.055 -4.577 -2.799 7.376 -1.633 -0.999 2.632 -1.527 -0.934 2.46 53 C 13 0.1167 -0.5209 0.8456 0.6583 0.6781 0.3268 0.7436 -0.5185 -0.4221 -0.0194 -0.0174 0.0369 -10.377 -9.291 19.668 -3.703 -3.315 7.018 -3.461 -3.099 6.56 54 H 1 0.1379 -0.5155 0.8457 0.4117 0.8064 0.4244 0.9008 -0.2897 -0.3234 -0.005 -0.0045 0.0095 -2.678 -2.394 5.072 -0.956 -0.854 1.81 -0.893 -0.799 1.692 55 H 1 0.1419 -0.5123 0.847 0.0878 0.8588 0.5047 0.986 -0.0027 -0.1668 -0.0021 -0.002 0.0041 -1.118 -1.064 2.181 -0.399 -0.38 0.778 -0.373 -0.355 0.728 56 H 1 -0.1477 0.6137 0.7756 -0.1976 0.7501 -0.6312 0.9691 0.2465 -0.0105 -0.0013 -0.0013 0.0027 -0.717 -0.714 1.43 -0.256 -0.255 0.51 -0.239 -0.238 0.477 57 H 1 0.1146 -0.4888 0.8649 -0.5002 0.7238 0.4753 0.8583 0.4871 0.1615 -0.0017 -0.0017 0.0034 -0.919 -0.891 1.809 -0.328 -0.318 0.646 -0.306 -0.297 0.603 58 H 1 0.2341 -0.619 0.7497 0.6094 -0.5074 -0.6092 0.7575 0.5995 0.2585 -0.0047 -0.0044 0.0091 -2.485 -2.347 4.832 -0.887 -0.837 1.724 -0.829 -0.783 1.612 59 H 1 PT10341.600S Tue Oct 8 16:31:05 2019 -18.99228 -18.97429 -18.96729 -18.95666 -18.95624 -14.26403 -14.24577 -14.23501 -14.23110 -14.22760 -10.18720 -10.16965 -10.13601 -10.13364 -10.12644 -10.12438 -10.11795 -10.11499 -10.11336 -10.10544 -10.10043 -10.09713 -10.09580 -10.09382 -10.09356 -10.09106 -10.09038 -10.08825 -10.08593 -10.08485 -10.08131 -10.07984 -10.07842 -10.07821 -10.07723 -10.07489 -10.07451 -10.07159 -10.07117 -3.67103 -2.44232 -2.43489 -2.42595 -1.04555 -1.01927 -1.01024 -0.96593 -0.95628 -0.94041 -0.93156 -0.93015 -0.92768 -0.84530 -0.83237 -0.80836 -0.79356 -0.78849 -0.78593 -0.76528 -0.76368 -0.74261 -0.73767 -0.72568 -0.70800 -0.65063 -0.64820 -0.64490 -0.62621 -0.62278 -0.62199 -0.60316 -0.59187 -0.58319 -0.57546 -0.55623 -0.52052 -0.51814 -0.49958 -0.49912 -0.49450 -0.49350 -0.48737 -0.48098 -0.47197 -0.47124 -0.46336 -0.45377 -0.44416 -0.44183 -0.43593 -0.43421 -0.42716 -0.42238 -0.42026 -0.41947 -0.41512 -0.41370 -0.41324 -0.40734 -0.40310 -0.39859 -0.39809 -0.39447 -0.39173 -0.39018 -0.38929 -0.38079 -0.37814 -0.37499 -0.37133 -0.36865 -0.36624 -0.36383 -0.36057 -0.35687 -0.35019 -0.34725 -0.34363 -0.33590 -0.33499 -0.33425 -0.31897 -0.31140 -0.30345 -0.30279 -0.29511 -0.29273 -0.28553 -0.28480 -0.28160 -0.27548 -0.26994 -0.26421 -0.26244 -0.25656 -0.25251 -0.25041 -0.24735 -0.24456 -0.23806 -0.23084 -0.22514 -0.22060 -0.21757 -0.20812 -0.11227 -0.10510 -0.09255 -0.08752 -0.07168 -0.06622 -0.05769 -0.03096 -0.02488 -0.01055 0.00384 0.01822 0.02234 0.02576 0.02703 0.02917 0.03332 0.04368 0.08095 0.08644 0.09065 0.09545 0.10030 0.10441 0.10583 0.10809 0.10927 0.11749 0.11878 0.12689 0.12724 0.12979 0.13264 0.13661 0.13788 0.14408 0.14809 0.14928 0.15003 0.15261 0.15922 0.15948 0.16091 0.16643 0.16870 0.17125 0.17265 0.17397 0.17434 0.18028 0.18432 0.18708 0.19303 0.19743 0.19828 0.19973 0.20334 0.20403 0.20878 0.21246 0.21468 0.21921 0.22479 0.22932 0.23113 0.23648 0.23902 0.24238 0.24448 0.24815 0.24908 0.25129 0.25618 0.26065 0.26097 0.26444 0.27155 0.27281 0.27616 0.27912 0.28189 0.28298 0.28492 0.28653 0.29455 0.29553 0.29848 0.30473 0.30671 0.31037 0.31564 0.31974 0.32319 0.32491 0.33120 0.33345 0.33992 0.34509 0.35207 0.35419 0.35625 0.36567 0.36797 0.37266 0.38257 0.38447 0.39484 0.40639 0.41180 0.42067 0.43819 0.44496 0.45092 0.45397 0.45907 0.46640 0.47505 0.47988 0.48668 0.49548 0.50164 0.51435 0.52009 0.52702 0.52752 0.52941 0.53069 0.53962 0.54525 0.56101 0.56378 0.56672 0.56845 0.57373 0.57753 0.58245 0.58835 0.59255 0.59627 0.59883 0.60282 0.60733 0.60949 0.61465 0.61639 0.61792 0.62047 0.62585 0.63077 0.63089 0.63195 0.63399 0.63879 0.64865 0.65104 0.65660 0.65962 0.67221 0.68088 0.68592 0.69087 0.70129 0.71013 0.71536 0.72131 0.73015 0.73567 0.74665 0.75341 0.75932 0.76273 0.76715 0.77855 0.77988 0.78303 0.78636 0.79276 0.79644 0.79733 0.79881 0.80213 0.80520 0.80601 0.80795 0.81166 0.81444 0.81627 0.82060 0.82100 0.82421 0.83274 0.83459 0.83909 0.84243 0.85117 0.86034 0.86315 0.86522 0.86638 0.86862 0.87292 0.88108 0.88280 0.89805 0.90325 0.91563 0.91987 0.92595 0.93902 0.94512 0.95034 0.95425 0.95817 0.96505 0.97431 0.98049 0.98519 0.99805 0.99890 1.00750 1.01320 1.01977 1.02492 1.03098 1.03336 1.04002 1.04611 1.05217 1.06019 1.06811 1.07512 1.08142 1.08850 1.09047 1.10211 1.11433 1.11883 1.12128 1.12481 1.13665 1.13805 1.14504 1.14853 1.15628 1.15928 1.16327 1.16969 1.17108 1.18498 1.18661 1.19073 1.19733 1.19782 1.20213 1.20698 1.21356 1.21603 1.22219 1.22290 1.22785 1.23547 1.23622 1.24533 1.24784 1.25415 1.25921 1.26616 1.27133 1.27283 1.27913 1.28130 1.28892 1.29383 1.29429 1.29680 1.29810 1.30090 1.30519 1.30872 1.31660 1.31822 1.32729 1.33207 1.33658 1.34009 1.34697 1.35046 1.35304 1.35587 1.36046 1.36328 1.36399 1.36850 1.37130 1.38201 1.38404 1.38764 1.39695 1.40304 1.41140 1.41990 1.42366 1.42637 1.43382 1.44437 1.44564 1.45897 1.46342 1.46934 1.48523 1.49367 1.49983 1.51353 1.52088 1.52624 1.52913 1.53920 1.54715 1.57098 1.57246 1.58913 1.60679 1.61273 1.64861 1.66207 1.67318 1.69297 1.70131 1.70915 1.71875 1.72226 1.72838 1.73467 1.73884 1.74058 1.74352 1.74991 1.75284 1.76044 1.76610 1.77055 1.77355 1.78431 1.78654 1.78864 1.79693 1.80282 1.80681 1.81110 1.81251 1.82177 1.82682 1.83208 1.83679 1.84900 1.85045 1.85370 1.85660 1.86243 1.86880 1.87059 1.87652 1.87706 1.88421 1.88678 1.89517 1.90048 1.91370 1.91862 1.92016 1.92482 1.92829 1.92972 1.93534 1.93914 1.94603 1.94838 1.94952 1.95266 1.95514 1.95691 1.95858 1.96943 1.97543 1.98279 1.98640 1.99190 1.99536 1.99955 2.00102 2.01086 2.02114 2.02794 2.03973 2.04473 2.05178 2.06814 2.08665 2.09700 2.10026 2.10446 2.11946 2.12338 2.13502 2.14677 2.14945 2.17106 2.17299 2.17924 2.18131 2.19298 2.20857 2.21413 2.21823 2.23285 2.24650 2.25062 2.25761 2.26518 2.27129 2.28510 2.28714 2.29037 2.29597 2.29825 2.30289 2.30423 2.30732 2.31665 2.32444 2.33644 2.34122 2.34931 2.35950 2.36351 2.36822 2.37290 2.38003 2.39673 2.39785 2.40314 2.40502 2.41187 2.42013 2.42803 2.43104 2.43634 2.44110 2.45361 2.45608 2.46039 2.46403 2.46985 2.47627 2.47746 2.48359 2.49517 2.50295 2.51102 2.51689 2.51983 2.52310 2.53009 2.53888 2.55047 2.55943 2.56894 2.57232 2.57505 2.58856 2.59408 2.59641 2.60286 2.60717 2.61067 2.61261 2.61375 2.63443 2.63504 2.64679 2.65533 2.66135 2.66387 2.67366 2.68842 2.69819 2.70493 2.71893 2.72711 2.73012 2.73675 2.73888 2.74367 2.74756 2.75322 2.75556 2.76801 2.77257 2.78084 2.78165 2.78776 2.79774 2.80827 2.81409 2.81994 2.82765 2.84784 2.85941 2.87983 2.89686 2.90010 2.91303 2.94248 2.96382 2.97952 3.00133 3.01255 3.06097 3.07419 3.07804 3.08830 3.09198 3.11037 3.12307 3.13514 3.14083 3.17493 3.17594 3.18397 3.18981 3.20995 3.22661 3.26259 3.27171 3.27690 3.28415 3.28638 3.29660 3.30672 3.30867 3.31206 3.33876 3.34718 3.35612 3.37098 3.39577 3.40928 3.43633 3.44069 3.44875 3.46763 3.46883 3.52578 3.52805 3.53138 3.71362 3.76281 3.77719 3.79825 3.87151 3.88472 3.90489 5.75859 5.76344 5.77251 5.77762 5.78592 5.78744 5.81902 25.96461 -18.98759 -18.97348 -18.95751 -18.95663 -18.95612 -14.26123 -14.24566 -14.23268 -14.22911 -14.22497 -10.18730 -10.16961 -10.13596 -10.13360 -10.12641 -10.12434 -10.11773 -10.11502 -10.11325 -10.10542 -10.10047 -10.09711 -10.09570 -10.09376 -10.09355 -10.09100 -10.09040 -10.08817 -10.08579 -10.08473 -10.08134 -10.07982 -10.07840 -10.07824 -10.07710 -10.07488 -10.07450 -10.07158 -10.07116 -3.39665 -2.18482 -2.18362 -2.17982 -1.03979 -1.01901 -1.00791 -0.96111 -0.95196 -0.93747 -0.92776 -0.92640 -0.90461 -0.84466 -0.83189 -0.80753 -0.79277 -0.78777 -0.78507 -0.76452 -0.76323 -0.74207 -0.73703 -0.72540 -0.70763 -0.64963 -0.64719 -0.64410 -0.62515 -0.62186 -0.62111 -0.60238 -0.59046 -0.58296 -0.57518 -0.55458 -0.51770 -0.51675 -0.49919 -0.49640 -0.49364 -0.49257 -0.48481 -0.47836 -0.46986 -0.46910 -0.45746 -0.45146 -0.44107 -0.43769 -0.43142 -0.42638 -0.42267 -0.42116 -0.41824 -0.41536 -0.41318 -0.40940 -0.40716 -0.40450 -0.39804 -0.39363 -0.39256 -0.39201 -0.38891 -0.38737 -0.38367 -0.37316 -0.36483 -0.36137 -0.36050 -0.35839 -0.35627 -0.34741 -0.33848 -0.33678 -0.33440 -0.31851 -0.31096 -0.30962 -0.30303 -0.30027 -0.29607 -0.28924 -0.28573 -0.28363 -0.28251 -0.28129 -0.27774 -0.26793 -0.26355 -0.25592 -0.25054 -0.24918 -0.24642 -0.24400 -0.24133 -0.23360 -0.23047 -0.22031 -0.21726 -0.17743 -0.16357 -0.15454 -0.13052 -0.11030 -0.10162 -0.09883 -0.09077 -0.08595 -0.07021 -0.06531 -0.05673 -0.03034 -0.02471 -0.01030 0.00458 0.02040 0.02312 0.02661 0.02812 0.03100 0.03416 0.04470 0.08182 0.08812 0.09205 0.09573 0.10057 0.10504 0.10671 0.10871 0.11644 0.11811 0.12239 0.12770 0.12949 0.13051 0.13369 0.13700 0.13902 0.14503 0.14870 0.15009 0.15183 0.15313 0.15988 0.16034 0.16165 0.16733 0.16908 0.17258 0.17324 0.17410 0.17513 0.18262 0.18530 0.19136 0.19392 0.19840 0.19980 0.20123 0.20414 0.20459 0.20984 0.21407 0.21532 0.22182 0.22757 0.23094 0.23259 0.23817 0.24122 0.24444 0.24572 0.24972 0.25242 0.25545 0.25887 0.26144 0.26410 0.26908 0.27318 0.27723 0.28000 0.28251 0.28306 0.28400 0.28715 0.28835 0.29614 0.29717 0.30071 0.30656 0.30753 0.31103 0.31727 0.32215 0.32440 0.32640 0.33222 0.33401 0.34048 0.34695 0.35424 0.35721 0.35778 0.36769 0.37104 0.37346 0.38406 0.38608 0.39841 0.40814 0.41574 0.42367 0.43912 0.44645 0.45219 0.45517 0.46055 0.46762 0.47641 0.48204 0.48864 0.49746 0.50347 0.51500 0.52123 0.52745 0.52839 0.52975 0.53261 0.54053 0.54567 0.56280 0.56679 0.56734 0.56929 0.57455 0.57895 0.58399 0.59000 0.59617 0.59796 0.59990 0.60371 0.60935 0.61244 0.61548 0.61844 0.61989 0.62170 0.62782 0.63138 0.63200 0.63295 0.63595 0.63964 0.65003 0.65204 0.65919 0.66326 0.67281 0.68272 0.68713 0.69223 0.70323 0.71075 0.71579 0.72232 0.73066 0.73673 0.75058 0.75610 0.76056 0.76524 0.76802 0.77971 0.78144 0.78395 0.78796 0.79354 0.79680 0.79777 0.80001 0.80243 0.80620 0.80637 0.80849 0.81192 0.81498 0.81741 0.82134 0.82175 0.82466 0.83430 0.83605 0.84011 0.84371 0.85220 0.86271 0.86444 0.86568 0.86729 0.87048 0.87465 0.88283 0.88496 0.90088 0.90560 0.91736 0.92467 0.92964 0.94018 0.94878 0.95301 0.95959 0.96102 0.96646 0.97712 0.98165 0.98817 0.99943 1.00115 1.00984 1.01503 1.02110 1.02692 1.03319 1.03586 1.04144 1.04755 1.05393 1.06226 1.06953 1.07654 1.08417 1.08940 1.09219 1.10307 1.11510 1.11950 1.12292 1.12659 1.13726 1.14052 1.14722 1.14953 1.15789 1.16030 1.16438 1.17145 1.17358 1.18655 1.18774 1.19163 1.19868 1.20038 1.20369 1.20798 1.21532 1.21729 1.22306 1.22491 1.22978 1.23694 1.23841 1.24797 1.25064 1.25632 1.26045 1.26761 1.27344 1.27525 1.28194 1.28237 1.28973 1.29524 1.29649 1.29911 1.30037 1.30192 1.30634 1.30997 1.31769 1.31943 1.32936 1.33333 1.33847 1.34266 1.34829 1.35132 1.35416 1.35644 1.36084 1.36370 1.36498 1.36906 1.37365 1.38462 1.38696 1.38875 1.39903 1.40423 1.41336 1.42058 1.42469 1.42972 1.43588 1.44646 1.45015 1.46043 1.46738 1.47344 1.48680 1.49667 1.50297 1.51615 1.52196 1.53003 1.53226 1.54329 1.54923 1.57508 1.57784 1.59271 1.61183 1.61763 1.65348 1.66658 1.67769 1.69771 1.70663 1.71094 1.71984 1.72371 1.72979 1.73589 1.74067 1.74363 1.74696 1.75146 1.75517 1.76330 1.76776 1.77366 1.77582 1.78535 1.78800 1.79066 1.80102 1.80516 1.80938 1.81227 1.81404 1.82370 1.82834 1.83270 1.84035 1.85096 1.85115 1.85527 1.85934 1.86331 1.87053 1.87345 1.87785 1.88025 1.88665 1.88855 1.90016 1.90278 1.91704 1.91995 1.92205 1.92654 1.93010 1.93041 1.93811 1.94045 1.94762 1.94932 1.95194 1.95274 1.95703 1.95908 1.96460 1.97352 1.98079 1.98538 1.98822 1.99354 1.99805 2.00085 2.00382 2.01470 2.02693 2.03025 2.04284 2.04585 2.05965 2.08127 2.09173 2.09944 2.10350 2.10782 2.12079 2.12675 2.13825 2.14972 2.15406 2.17289 2.17431 2.18192 2.18411 2.19496 2.21072 2.21608 2.21933 2.23503 2.24730 2.25196 2.26033 2.26686 2.27510 2.28600 2.28783 2.29188 2.29667 2.29889 2.30341 2.30631 2.30903 2.31756 2.32509 2.33791 2.34296 2.35054 2.36063 2.36493 2.36919 2.37660 2.38265 2.39780 2.39877 2.40318 2.40576 2.41377 2.42308 2.42910 2.43250 2.43679 2.44164 2.45427 2.45650 2.46135 2.46499 2.47110 2.47701 2.47813 2.48515 2.49601 2.50381 2.51287 2.51830 2.52049 2.52394 2.53117 2.54050 2.55125 2.56050 2.56963 2.57294 2.57866 2.58961 2.59500 2.59747 2.60335 2.60881 2.61238 2.61277 2.61520 2.63484 2.63530 2.64719 2.65706 2.66283 2.66443 2.67525 2.69000 2.69898 2.70598 2.72073 2.72843 2.73184 2.73754 2.74013 2.74456 2.74889 2.75417 2.75720 2.76950 2.77511 2.78132 2.78222 2.79223 2.79955 2.81037 2.81557 2.82202 2.82896 2.84889 2.86015 2.88279 2.89872 2.90241 2.91546 2.94451 2.96576 2.98284 3.00344 3.01566 3.06142 3.07507 3.08063 3.09112 3.09303 3.11190 3.12424 3.13680 3.14182 3.17551 3.17713 3.18500 3.19072 3.21203 3.22881 3.26454 3.27349 3.27914 3.28511 3.28713 3.29729 3.30688 3.30866 3.31224 3.33947 3.34749 3.35624 3.37249 3.39598 3.40971 3.43689 3.44154 3.44951 3.46800 3.46934 3.52617 3.52809 3.53246 3.72060 3.76362 3.77823 3.79846 3.87203 3.88486 3.90517 5.96715 5.96830 5.97475 5.97789 5.97961 5.98432 6.01292 25.71856 6-A. 3.4550 7.0085 19.4642 20.9741 -118.8194 -225.3166 -251.5992 8.0721 -4.0045 63.1857 79.7590 -26.7382 -53.0208 8.0721 -4.0045 63.1857 130.7887 177.2674 301.9734 24.5965 -178.2125 -27.7633 19.7757 -46.2201 41.9690 -27.2822 -10282.4466 -5676.2041 -4005.9809 7.5332 -246.7180 -19.2503 718.0823 31.2163 517.4823 -3073.7452 -3509.6590 -1971.1303 418.3268 -52.5181 83.8529 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|Beta|Orbitals: (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-N309 CRAIGMI 2019-10-08T00:00:00.000+01:00 0 /home/michael/molsimp_comfiles/Fe_oct_desorbed_2_OH/Fe_oct_desorbed_2_OH.com auto generated 0 6 Version=ES64L-G09RevE.01 State=6-A HF=-1890.5504614 S2=8.758339 S2-1=0. S2A=8.75002 RMSD=6.572e-09 Dipole=1.3593205,2.7573384,7.6578178 Quadrupole=59.2988694,-19.8791752,-39.4196942,6.0014357,-2.9772647,46.9769913 PG=C01 [X(C29H20Fe1N5O5)] 0 -0.022932 -0.151987 -0.509624 0 0.116138 -3.357759 2.107718 0 0.076492 -2.240148 1.55718 0 -0.039993 -2.054133 0.278879 0 0.159209 -0.975956 2.371494 0 0.304142 -0.930562 3.755576 0 0.367632 0.327033 4.36297 0 0.276605 1.483146 3.587626 0 0.124523 1.356208 2.19927 0 0.002897 2.477086 1.240209 0 -0.105918 3.810037 1.641194 0 -0.259609 4.79803 0.669091 0 -0.298062 4.428781 -0.671107 0 -0.148048 3.078376 -1.011395 0 -0.103701 2.700427 -2.484111 0 -1.074389 3.087181 -3.192226 0 0.925173 2.064762 -2.879569 0 -0.005601 2.118334 -0.073748 0 0.077175 0.139885 1.631346 0 0.366409 -1.847127 4.329695 0 0.487726 0.408809 5.437751 0 0.329208 2.456983 4.057786 0 -0.085508 4.075626 2.690776 0 -0.353078 5.839141 0.958564 0 -0.424733 5.163218 -1.457904 0 -0.002594 -0.452428 -2.344701 0 0.385034 0.351007 -2.763436 0 2.255827 -0.202183 -0.351531 0 3.040127 0.861166 -0.023635 0 4.417031 0.781513 -0.018389 0 5.016608 -0.442999 -0.365891 0 6.417606 -0.672976 -0.404974 0 6.892896 -1.915058 -0.764497 0 6.001453 -2.973632 -1.097854 0 4.638881 -2.783592 -1.070414 0 4.121791 -1.510801 -0.702842 0 2.767547 -1.357964 -0.689971 0 2.513386 1.771923 0.228616 0 5.017173 1.645854 0.245345 0 7.09281 0.13764 -0.150485 0 7.962372 -2.096797 -0.79626 0 6.408424 -3.940158 -1.376471 0 3.94429 -3.578405 -1.321044 0 -2.249207 -0.217885 -0.301152 0 -3.037379 0.660958 0.395831 0 -4.392906 0.486992 0.535525 0 -5.026705 -0.638907 -0.052786 0 -6.418028 -0.899604 0.049582 0 -6.953667 -2.021586 -0.550819 0 -6.133607 -2.925927 -1.275625 0 -4.778969 -2.698431 -1.394384 0 -4.201843 -1.551897 -0.784417 0 -2.816375 -1.277462 -0.870024 0 -2.534921 1.512554 0.836458 0 -4.974983 1.210744 1.096548 0 -7.04667 -0.209198 0.603618 0 -8.017993 -2.220327 -0.470141 0 -6.582192 -3.799978 -1.736696 0 -4.140464 -3.38216 -1.945956 0 -2.163384 -1.95129 -1.416265