Gaussian 09 17-Oct-2019 Gaussian 09 30-Nov-2015 ES64L-G09RevE.01 150 C1[X(C24H19CoN4O4)] UTPSSh Gen SP #p guess=read gen pseudo=read scf=xqc utpssh pop=(regular, npa) 467.2143999999998 0 1 AuxInfo=1/1/N:14,15,7,13,6,8,16,12,5,9,17,20,11,3,10,19,18,2,4;32,31,33,30,34,29;43,42,44,41,45,40;1;51/E:(18,19);2*(2,3)(4,5);;/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,16-1,17-1,18.1,19-1;2*1.3,2.3,3.3,4.3,5.3,6-1;;/rA:52CoO1C3OC3C3C3C3C3NC3C3C3C3C3C3C3ONC3HHHHHHHHNC3C3C3C3C3HHHHHNC3C3C3C3C3HHHHHOH/rB:;s2;s1s3;s3;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s12s16;s1s17;s1s11;s5s9s19;s6;s7;s8;s10;s13;s14;s15;s16;s1;s29;s30;s31;s32;s29s33;s30;s31;s32;s33;s34;s1;s40;s41;s42;s43;s40s44;s41;s42;s43;s44;s45;s1;s51;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /ichec/packages/gaussian/09e01/l1.exe "/localscratch/423407/Gau-63602.inp" -scrdir="/localscratch/423407/" chk=Co_31a_18_OH_LSbgas.chk nprocshared=40 mem=100GB #p guess=read gen pseudo=read scf=xqc utpssh pop=(regular, npa) 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=1,74=-35,116=2/1,2,3 4/5=1/1 5/5=2,8=3,13=1,38=6/2,8 6/28=1,40=-1/1,7 99/5=1,9=1/99 /home/michael/molsimp_comfiles/Co_31a_18_OH/Co_31a_18_OH.com auto gene 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 59 16 12 16 12 12 12 12 12 14 12 12 12 12 12 12 12 16 14 12 1 1 1 1 1 1 1 1 14 12 12 12 12 12 1 1 1 1 1 14 12 12 12 12 12 1 1 1 1 1 16 1 58.9331978 15.9949146 12.0000000 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 15.9949146 14.0030740 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 7 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 2 0 1 1 1 1 1 1 1 1 2 0 0 0 0 0 1 1 1 1 1 2 0 0 0 0 0 1 1 1 1 1 0 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 (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= 20503 NPrTT= 112749 LenC2= 16885 LenP2D= 52447. LDataN: DoStor=T MaxTD1= 6 Len= 172 NBasis= 604 RedAO= T EigKep= 1.68D-04 NBF= 604 NBsUse= 604 1.00D-06 EigRej= -1.00D+00 NBFU= 604 (5D, 7F) 21 22 23 24 25 26 27 28 35 36 37 38 39 46 47 48 49 50 52 6-31g(d,p) 3 5 6 7 8 9 11 12 13 14 15 16 17 20 30 31 32 33 34 41 42 43 44 45 6-31g(d) 1 lanl2dz F 1 1.0 2.7800000000e+00 1.0000000000e+00 2 4 18 51 6-31+g(d) 10 19 29 40 6-31+g(d) 1 27 17 D and up 1 2 2 434.1076104 78.8402758 19.6037749 -10.00000000 -66.72402760 -11.71922430 0.00000000 0.00000000 0.00000000 S - D 0 1 2 2 151.2307582 169.6790026 64.9909423 12.5076287 3.00000000 20.15531100 413.37622440 133.87277050 0.00000000 0.00000000 0.00000000 0.00000000 P - D 0 1 2 2 92.7319924 121.1910183 48.6265909 11.9966971 5.00000000 6.18923530 326.32159190 73.87889700 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 7 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 6 No pseudopotential on this center. 17 6 No pseudopotential on this center. 18 8 No pseudopotential on this center. 19 7 No pseudopotential on this center. 20 6 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 1 No pseudopotential on this center. 27 1 No pseudopotential on this center. 28 1 No pseudopotential on this center. 29 7 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 1 No pseudopotential on this center. 36 1 No pseudopotential on this center. 37 1 No pseudopotential on this center. 38 1 No pseudopotential on this center. 39 1 No pseudopotential on this center. 40 7 No pseudopotential on this center. 41 6 No pseudopotential on this center. 42 6 No pseudopotential on this center. 43 6 No pseudopotential on this center. 44 6 No pseudopotential on this center. 45 6 No pseudopotential on this center. 46 1 No pseudopotential on this center. 47 1 No pseudopotential on this center. 48 1 No pseudopotential on this center. 49 1 No pseudopotential on this center. 50 1 No pseudopotential on this center. 51 8 No pseudopotential on this center. 52 1 No pseudopotential on this center. 0.10000e-02 0.10000e-05 F 1 474 IExCor= 2523 DFT=T Ex+Corr=TPSSh ExCW=0 ScaHFX= 0.100000 ScaDFX= 0.900000 0.900000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 0 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi= 4 52 52 52 1.00e+00 60 F C24H19CoN4O4 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 0 467.2143999999998 AuxInfo=1/1/N:14,15,7,13,6,8,16,12,5,9,17,20,11,3,10,19,18,2,4;32,31,33,30,34,29;43,42,44,41,45,40;1;51/E:(18,19);2*(2,3)(4,5);;/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,16-1,17-1,18.1,19-1;2*1.3,2.3,3.3,4.3,5.3,6-1;;/rA:52CoO1C3OC3C3C3C3C3NC3C3C3C3C3C3C3ONC3HHHHHHHHNC3C3C3C3C3HHHHHNC3C3C3C3C3HHHHHOH/rB:;s2;s1s3;s3;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s12s16;s1s17;s1s11;s5s9s19;s6;s7;s8;s10;s13;s14;s15;s16;s1;s29;s30;s31;s32;s29s33;s30;s31;s32;s33;s34;s1;s40;s41;s42;s43;s40s44;s41;s42;s43;s44;s45;s1;s51;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.1602535 0.1369733 0.1023490 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 623 624 627 627 631 MxSgAt= 52 MxSgA2= 52. 1 open 1 1 1 -1591.13822039546 -1591.11238758105 0.025832814416 -1591.16003429656 -0.047646715513 -1591.15720117605 0.002833120515 -1591.15746524448 -0.000264068429 -1591.16473811927 -0.007272874795 -1591.16485937039 -0.000121251122 -1591.16486644572 -0.000007075324 -1591.16486817703 -0.000001731318 -1591.16486827730 -0.000000100264 -1591.16486830514 -0.000000027837 -1591.16486830998 -0.000000004848 -1591.16486831191 -0.000000001923 -1591.16486831229 -0.000000000384 -1591.16486831237 -0.000000000083 -1591.16486831238 -0.000000000005 -1591.16486831 16 -0.0000 1.522440734185e+03 -1.137288670975e+04 4.429416161617e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. IVT= 1268981 IEndB= 1268981 NGot= 13421772800 MDV= 13420919566 LenX= 13420919566 LenY= 13420508044 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. -0.0000 alpha 116 117 118 119 120 121 122 123 124 125 O O O O O V V V V V -0.214683 -0.211468 -0.200719 -0.181849 -0.180258 -0.070409 -0.064760 -0.060237 -0.058698 -0.053212 2.025970 2.879976 2.475081 3.518981 2.475916 1.759581 4.236993 4.915560 2.118363 5.461834 beta 116 117 118 119 120 121 122 123 124 125 O O O O O V V V V V -0.214683 -0.211468 -0.200719 -0.181849 -0.180258 -0.070409 -0.064760 -0.060237 -0.058698 -0.053212 2.025970 2.879976 2.475081 3.518981 2.475916 1.759581 4.236993 4.915560 2.118363 5.461834 1.522440734185D+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 Co O C O C C C C C N C C C C C C C O N C H H H H H H H H N C C C C C H H H H H N C C C C C H H H H H O H 59 17 13 17 13 13 13 13 13 14 13 13 13 13 13 13 13 17 14 13 1 1 1 1 1 1 1 1 14 13 13 13 13 13 1 1 1 1 1 14 13 13 13 13 13 1 1 1 1 1 17 1 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 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 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 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 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 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 1 Co 59 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 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 2 O 17 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 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 3 C 13 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 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 4 O 17 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 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 5 C 13 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 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 6 C 13 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 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 7 C 13 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 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 8 C 13 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 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 9 C 13 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 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 10 N 14 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 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 11 C 13 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 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 12 C 13 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 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 13 C 13 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 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 14 C 13 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 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 15 C 13 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 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 16 C 13 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 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 17 C 13 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 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 18 O 17 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 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 19 N 14 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 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 20 C 13 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 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 21 H 1 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 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 22 H 1 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 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 23 H 1 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 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 24 H 1 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 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 25 H 1 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 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 26 H 1 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 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 27 H 1 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 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 28 H 1 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 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 29 N 14 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 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 30 C 13 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 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 31 C 13 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 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 32 C 13 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 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 33 C 13 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 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 34 C 13 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 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 35 H 1 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 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 36 H 1 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 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 37 H 1 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 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 38 H 1 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 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 39 H 1 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 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 40 N 14 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 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 41 C 13 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 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 42 C 13 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 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 43 C 13 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 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 44 C 13 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 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 45 C 13 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 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 46 H 1 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 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 47 H 1 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 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 48 H 1 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 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 49 H 1 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 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 50 H 1 1.0 0.0 0.0 -0.0 1.0 0.0 0.0 0.0 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 51 O 17 PT5576.500S 2019-10-17T08:08:29.000+01:00 -19.05013 -19.04252 -19.00260 -18.99505 -14.33528 -14.32053 -14.31102 -14.29309 -10.21340 -10.20281 -10.18601 -10.18522 -10.17863 -10.17538 -10.17082 -10.17068 -10.16976 -10.15974 -10.15936 -10.15903 -10.15727 -10.14837 -10.14711 -10.13833 -10.13472 -10.13433 -10.12696 -10.12663 -10.12630 -10.12027 -10.11772 -10.11351 -3.69661 -2.40095 -2.39831 -2.39398 -1.01676 -0.99532 -0.96906 -0.95404 -0.94318 -0.90349 -0.88139 -0.85727 -0.83463 -0.81840 -0.81002 -0.79866 -0.76942 -0.75734 -0.75604 -0.73360 -0.71218 -0.69891 -0.64000 -0.63672 -0.63021 -0.62727 -0.62696 -0.62420 -0.59918 -0.58017 -0.56767 -0.54609 -0.54062 -0.52765 -0.50629 -0.48968 -0.48713 -0.47987 -0.47873 -0.47410 -0.46632 -0.46124 -0.45110 -0.44411 -0.43976 -0.43835 -0.43379 -0.42891 -0.42711 -0.42254 -0.41852 -0.41139 -0.40611 -0.40038 -0.39518 -0.38557 -0.37661 -0.37069 -0.36907 -0.36842 -0.35967 -0.35890 -0.35003 -0.34558 -0.33833 -0.33746 -0.33040 -0.32873 -0.31721 -0.30994 -0.30433 -0.29981 -0.29399 -0.27732 -0.27030 -0.26716 -0.26608 -0.25850 -0.25699 -0.25033 -0.22995 -0.22216 -0.22083 -0.21468 -0.21147 -0.20072 -0.18185 -0.18026 -0.07041 -0.06476 -0.06024 -0.05870 -0.05321 -0.04772 -0.03169 -0.02472 0.00337 0.00697 0.00840 0.02431 0.03001 0.04214 0.04795 0.05123 0.06986 0.08114 0.08810 0.09242 0.09835 0.10298 0.10747 0.11093 0.11343 0.12393 0.12572 0.13558 0.14255 0.14534 0.14772 0.15158 0.15890 0.16314 0.16402 0.16911 0.17145 0.17426 0.17839 0.17964 0.18316 0.18917 0.19522 0.19767 0.20063 0.20267 0.20867 0.21234 0.21594 0.21952 0.22439 0.22521 0.23221 0.23525 0.23824 0.24232 0.24677 0.25017 0.25665 0.26424 0.26642 0.26818 0.27173 0.27537 0.27814 0.28395 0.28633 0.29205 0.29557 0.29887 0.30215 0.30812 0.31081 0.31960 0.32148 0.33286 0.33716 0.34121 0.34854 0.35440 0.35775 0.36356 0.37320 0.37563 0.38516 0.39246 0.40161 0.40999 0.41860 0.43408 0.43941 0.45126 0.45402 0.46194 0.47454 0.48284 0.49390 0.49531 0.50411 0.50762 0.51315 0.51454 0.52258 0.53250 0.53801 0.54227 0.54628 0.55512 0.56010 0.57018 0.57549 0.58080 0.58557 0.58936 0.59643 0.60004 0.60231 0.60849 0.61388 0.61738 0.62011 0.62163 0.62744 0.63403 0.63699 0.64079 0.64257 0.65008 0.65277 0.66379 0.67344 0.67809 0.68233 0.68882 0.71195 0.71651 0.72305 0.73244 0.74184 0.75102 0.76266 0.76382 0.76523 0.76968 0.77840 0.78668 0.79287 0.79485 0.79780 0.80450 0.80647 0.80784 0.81307 0.81791 0.82075 0.82836 0.83245 0.83726 0.83763 0.84064 0.84332 0.84816 0.85145 0.85630 0.86866 0.87830 0.88955 0.89174 0.89773 0.90484 0.91217 0.92228 0.92962 0.93632 0.94016 0.95304 0.95598 0.96353 0.96953 0.97817 0.98043 0.98685 0.99697 1.00169 1.00622 1.01704 1.02187 1.03243 1.03895 1.04883 1.05284 1.06714 1.06970 1.07484 1.08027 1.09515 1.09613 1.10897 1.11622 1.12916 1.13380 1.13829 1.14178 1.15120 1.15902 1.16566 1.17367 1.17924 1.18220 1.19446 1.20577 1.21094 1.21283 1.22228 1.22986 1.23727 1.24368 1.24531 1.25559 1.26259 1.27243 1.27457 1.27702 1.28203 1.28670 1.30216 1.30534 1.30952 1.31299 1.32161 1.32450 1.32953 1.33502 1.33898 1.35083 1.35362 1.35597 1.36048 1.36493 1.37174 1.37743 1.37988 1.38537 1.39401 1.39612 1.39772 1.40346 1.40745 1.41433 1.42004 1.42288 1.42669 1.43315 1.44030 1.45091 1.46000 1.46948 1.47605 1.48007 1.49003 1.49605 1.50060 1.51778 1.52579 1.53892 1.55980 1.57599 1.59718 1.60573 1.62701 1.63466 1.67606 1.68342 1.69634 1.71138 1.72135 1.74101 1.74930 1.76340 1.77557 1.77778 1.78206 1.79083 1.79680 1.80247 1.80406 1.81336 1.82200 1.82516 1.83389 1.84686 1.85014 1.86196 1.87046 1.87725 1.88160 1.88730 1.89448 1.89895 1.90964 1.91326 1.92443 1.92723 1.93918 1.94224 1.94611 1.95176 1.95825 1.96220 1.96677 1.97280 1.97527 1.98250 1.98678 1.98901 1.99077 1.99422 1.99873 2.00418 2.00942 2.01382 2.02313 2.02974 2.03670 2.04254 2.05231 2.06034 2.06258 2.07007 2.08136 2.09902 2.11149 2.12256 2.13053 2.13426 2.14266 2.14540 2.15746 2.16221 2.17320 2.18040 2.18956 2.19680 2.22303 2.23877 2.24312 2.26471 2.26684 2.27338 2.27643 2.28163 2.28828 2.29629 2.30261 2.31353 2.31756 2.33033 2.34560 2.36100 2.37134 2.38735 2.38824 2.39569 2.40253 2.40575 2.41091 2.41311 2.42112 2.42379 2.42577 2.43001 2.43661 2.44175 2.44775 2.45040 2.45696 2.46854 2.46889 2.48237 2.48876 2.49330 2.49961 2.50981 2.52120 2.53026 2.53511 2.53869 2.54578 2.55572 2.56339 2.56877 2.57668 2.58502 2.58748 2.59551 2.60034 2.60447 2.61308 2.61658 2.61905 2.62073 2.63479 2.64258 2.64843 2.65366 2.66289 2.66781 2.67576 2.68422 2.69963 2.70265 2.70574 2.72569 2.73705 2.74217 2.74947 2.75121 2.76089 2.76400 2.77015 2.77520 2.78454 2.79246 2.79827 2.80313 2.81776 2.82520 2.84084 2.85456 2.87736 2.88481 2.89356 2.93053 2.95616 2.96214 3.00629 3.03739 3.04083 3.07073 3.08469 3.08927 3.09796 3.12025 3.14025 3.14823 3.18571 3.20394 3.22204 3.24198 3.24942 3.25634 3.26663 3.27118 3.28323 3.28959 3.29384 3.29758 3.30380 3.34653 3.34962 3.36505 3.38998 3.42479 3.44913 3.45870 3.46598 3.47444 3.53060 3.57732 3.59287 3.64318 3.69165 3.86686 3.91618 3.95483 3.96735 6.72264 6.72653 6.72894 6.73427 6.75915 6.76198 6.77216 52.19032 -19.05013 -19.04252 -19.00260 -18.99505 -14.33528 -14.32053 -14.31102 -14.29309 -10.21340 -10.20281 -10.18601 -10.18522 -10.17863 -10.17538 -10.17082 -10.17068 -10.16976 -10.15974 -10.15936 -10.15903 -10.15727 -10.14837 -10.14711 -10.13833 -10.13472 -10.13433 -10.12696 -10.12663 -10.12630 -10.12027 -10.11772 -10.11351 -3.69661 -2.40095 -2.39831 -2.39398 -1.01676 -0.99532 -0.96906 -0.95404 -0.94318 -0.90349 -0.88139 -0.85727 -0.83463 -0.81840 -0.81002 -0.79866 -0.76942 -0.75734 -0.75604 -0.73360 -0.71218 -0.69891 -0.64000 -0.63672 -0.63021 -0.62727 -0.62696 -0.62420 -0.59918 -0.58017 -0.56767 -0.54609 -0.54062 -0.52765 -0.50629 -0.48968 -0.48713 -0.47987 -0.47873 -0.47410 -0.46632 -0.46124 -0.45110 -0.44411 -0.43976 -0.43835 -0.43379 -0.42891 -0.42711 -0.42254 -0.41852 -0.41139 -0.40611 -0.40038 -0.39518 -0.38557 -0.37661 -0.37069 -0.36907 -0.36842 -0.35967 -0.35890 -0.35003 -0.34558 -0.33833 -0.33746 -0.33040 -0.32873 -0.31721 -0.30994 -0.30433 -0.29981 -0.29399 -0.27732 -0.27030 -0.26716 -0.26608 -0.25850 -0.25699 -0.25033 -0.22995 -0.22216 -0.22083 -0.21468 -0.21147 -0.20072 -0.18185 -0.18026 -0.07041 -0.06476 -0.06024 -0.05870 -0.05321 -0.04772 -0.03169 -0.02472 0.00337 0.00697 0.00840 0.02431 0.03001 0.04214 0.04795 0.05123 0.06986 0.08114 0.08810 0.09242 0.09835 0.10298 0.10747 0.11093 0.11343 0.12393 0.12572 0.13558 0.14255 0.14534 0.14772 0.15158 0.15890 0.16314 0.16402 0.16911 0.17145 0.17426 0.17839 0.17964 0.18316 0.18917 0.19522 0.19767 0.20063 0.20267 0.20867 0.21234 0.21594 0.21952 0.22439 0.22521 0.23221 0.23525 0.23824 0.24232 0.24677 0.25017 0.25665 0.26424 0.26642 0.26818 0.27173 0.27537 0.27814 0.28395 0.28633 0.29205 0.29557 0.29887 0.30215 0.30812 0.31081 0.31960 0.32148 0.33286 0.33716 0.34121 0.34854 0.35440 0.35775 0.36356 0.37320 0.37563 0.38516 0.39246 0.40161 0.40999 0.41860 0.43408 0.43941 0.45126 0.45402 0.46194 0.47454 0.48284 0.49390 0.49531 0.50411 0.50762 0.51315 0.51454 0.52258 0.53250 0.53801 0.54227 0.54628 0.55512 0.56010 0.57018 0.57549 0.58080 0.58557 0.58936 0.59643 0.60004 0.60231 0.60849 0.61388 0.61738 0.62011 0.62163 0.62744 0.63403 0.63699 0.64079 0.64257 0.65008 0.65277 0.66379 0.67344 0.67809 0.68233 0.68882 0.71195 0.71651 0.72305 0.73244 0.74184 0.75102 0.76266 0.76382 0.76523 0.76968 0.77840 0.78668 0.79287 0.79485 0.79780 0.80450 0.80647 0.80784 0.81307 0.81791 0.82075 0.82836 0.83245 0.83726 0.83763 0.84064 0.84332 0.84816 0.85145 0.85630 0.86866 0.87830 0.88955 0.89174 0.89773 0.90484 0.91217 0.92228 0.92962 0.93632 0.94016 0.95304 0.95598 0.96353 0.96953 0.97817 0.98043 0.98685 0.99697 1.00169 1.00622 1.01704 1.02187 1.03243 1.03895 1.04883 1.05284 1.06714 1.06970 1.07484 1.08027 1.09515 1.09613 1.10897 1.11622 1.12916 1.13380 1.13829 1.14178 1.15120 1.15902 1.16566 1.17367 1.17924 1.18220 1.19446 1.20577 1.21094 1.21283 1.22228 1.22986 1.23727 1.24368 1.24531 1.25559 1.26259 1.27243 1.27457 1.27702 1.28203 1.28670 1.30216 1.30534 1.30952 1.31299 1.32161 1.32450 1.32953 1.33502 1.33898 1.35083 1.35362 1.35597 1.36048 1.36493 1.37174 1.37743 1.37988 1.38537 1.39401 1.39612 1.39772 1.40346 1.40745 1.41433 1.42004 1.42288 1.42669 1.43315 1.44030 1.45091 1.46000 1.46948 1.47605 1.48007 1.49003 1.49605 1.50060 1.51778 1.52579 1.53892 1.55980 1.57599 1.59718 1.60573 1.62701 1.63466 1.67606 1.68342 1.69634 1.71138 1.72135 1.74101 1.74930 1.76340 1.77557 1.77778 1.78206 1.79083 1.79680 1.80247 1.80406 1.81336 1.82200 1.82516 1.83389 1.84686 1.85014 1.86196 1.87046 1.87725 1.88160 1.88730 1.89448 1.89895 1.90964 1.91326 1.92443 1.92723 1.93918 1.94224 1.94611 1.95176 1.95825 1.96220 1.96677 1.97280 1.97527 1.98250 1.98678 1.98901 1.99077 1.99422 1.99873 2.00418 2.00942 2.01382 2.02313 2.02974 2.03670 2.04254 2.05231 2.06034 2.06258 2.07007 2.08136 2.09902 2.11149 2.12256 2.13053 2.13426 2.14266 2.14540 2.15746 2.16221 2.17320 2.18040 2.18956 2.19680 2.22303 2.23877 2.24312 2.26471 2.26684 2.27338 2.27643 2.28163 2.28828 2.29629 2.30261 2.31353 2.31756 2.33033 2.34560 2.36100 2.37134 2.38735 2.38824 2.39569 2.40253 2.40575 2.41091 2.41311 2.42112 2.42379 2.42577 2.43001 2.43661 2.44175 2.44775 2.45040 2.45696 2.46854 2.46889 2.48237 2.48876 2.49330 2.49961 2.50981 2.52120 2.53026 2.53511 2.53869 2.54578 2.55572 2.56339 2.56877 2.57668 2.58502 2.58748 2.59551 2.60034 2.60447 2.61308 2.61658 2.61905 2.62073 2.63479 2.64258 2.64843 2.65366 2.66289 2.66781 2.67576 2.68422 2.69963 2.70265 2.70574 2.72569 2.73705 2.74217 2.74947 2.75121 2.76089 2.76400 2.77015 2.77520 2.78454 2.79246 2.79827 2.80313 2.81776 2.82520 2.84084 2.85456 2.87736 2.88481 2.89356 2.93053 2.95616 2.96214 3.00629 3.03739 3.04083 3.07073 3.08469 3.08927 3.09796 3.12025 3.14025 3.14823 3.18571 3.20394 3.22204 3.24198 3.24942 3.25634 3.26663 3.27118 3.28323 3.28959 3.29384 3.29758 3.30380 3.34653 3.34962 3.36505 3.38998 3.42479 3.44913 3.45870 3.46598 3.47444 3.53060 3.57732 3.59287 3.64318 3.69165 3.86686 3.91618 3.95483 3.96735 6.72264 6.72653 6.72894 6.73427 6.75915 6.76198 6.77216 52.19032 1-A. -2.2222 6.6932 6.1386 9.3498 -138.9450 -210.1377 -184.1452 11.3461 1.1780 1.3130 38.7976 -32.3951 -6.4025 11.3461 1.1780 1.3130 -34.2746 145.1915 79.8899 -16.4510 -22.5574 -36.3818 -57.6138 -11.1395 -10.0982 -8.9563 -6000.1621 -6167.0628 -2318.2605 241.8386 135.3056 82.3469 5.7948 -1.6047 61.2277 -1923.0130 -1597.4930 -1458.5595 14.1949 -17.1135 -39.2484 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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) GINC-N137 CRAIGMI 2019-10-17T00:00:00.000+01:00 0 /home/michael/molsimp_comfiles/Co_31a_18_OH/Co_31a_18_OH.com auto generated 0 1 Version=ES64L-G09RevE.01 State=1-A HF=-1591.1648683 S2=0. S2-1=0. S2A=0. RMSD=4.315e-09 Dipole=-0.8742741,2.6332995,2.4151198 Quadrupole=28.8450685,-24.0849412,-4.7601273,8.4355595,0.8758233,0.9761853 PG=C01 [X(C24H19Co1N4O4)] 0 -0.453436 -0.373183 -0.49748 0 0.941499 -4.183137 0.058847 0 0.980598 -2.9321 -0.060472 0 -0.120712 -2.234811 -0.061742 0 2.292905 -2.234803 -0.152539 0 3.512986 -2.923015 -0.101716 0 4.743035 -2.24353 -0.125971 0 4.817703 -0.847581 -0.191475 0 3.606356 -0.159731 -0.243636 0 3.280779 1.186021 -0.315879 0 1.918486 1.307713 -0.358512 0 1.17758 2.541738 -0.454422 0 1.816343 3.788248 -0.260965 0 1.118684 4.980985 -0.372542 0 -0.252354 4.943336 -0.684852 0 -0.904341 3.733417 -0.873851 0 -0.216733 2.497269 -0.767438 0 -0.915919 1.394733 -1.005594 0 1.361139 0.092091 -0.305531 0 2.370333 -0.837384 -0.236649 0 3.499253 -4.005596 -0.034808 0 5.662682 -2.817842 -0.086058 0 5.769858 -0.328756 -0.201858 0 3.939501 1.953679 -0.374689 0 2.871682 3.812241 -0.004813 0 1.624234 5.927436 -0.213612 0 -0.814163 5.869012 -0.772323 0 -1.962929 3.702742 -1.113987 0 -2.351899 -0.877811 -0.714049 0 -2.955796 -1.705234 0.163669 0 -4.291762 -2.071735 0.03121 0 -5.029618 -1.565409 -1.040491 0 -4.400017 -0.707811 -1.944444 0 -3.059176 -0.386447 -1.75036 0 -2.342657 -2.07517 0.976263 0 -4.735565 -2.739955 0.76037 0 -6.073339 -1.833322 -1.168086 0 -4.93042 -0.289828 -2.792504 0 -2.522248 0.271203 -2.421721 0 -0.80267 0.085968 1.412823 0 -1.810339 0.925881 1.730343 0 -2.105945 1.261162 3.048315 0 -1.338167 0.711543 4.076623 0 -0.297173 -0.157093 3.744898 0 -0.059468 -0.446753 2.404152 0 -2.375101 1.327933 0.898061 0 -2.925851 1.939839 3.253887 0 -1.54643 0.954549 5.113367 0 0.328401 -0.609673 4.505797 0 0.737895 -1.116577 2.108569 0 -0.135704 -0.774461 -2.320514 0 -0.331491 -1.724445 -2.382671