Gaussian 16 28-Dec-2021 Gaussian 16 20-Dec-2017 EM64L-G16RevB.01 210 C1[X(C38H22CoN9O2)] RM06 Gen SP #p m06/gen density=current scrf=(iefpcm,solvent=water) pop=nboread 673.3989 2 1 AuxInfo=1/0/N:9,11,19,21,50,48,40,38,7,8,17,18,47,46,37,36,6,25,15,16,45,44,54,35,3,27,2,55,26,31,56,32,4,5,34,33,1,29,28,30;65,61,63,59,60,58;69,70,71;57/E:(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);(2,3)(4,5);;/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,22.3,23.3,24.3,25.3,26.3,27.3,28.3,29.3,30.3,31.3,32.3,33-1,34-1,35-1,36-1,37.2,38.2,39.2,40.2;1.3,2.3,3.3,4.3,5.3,6-1;1.2,3.1;/rA:72N2C3C3NNC3C3C3C3HC3HHHC3C3C3C3C3HC3HHHC3C3C3N2N2N2C3C3NNC3C3C3C3HC3HHHC3C3C3C3C3HC3HHHC3C3C3CoNC3C3C3HC3HC3HHHC3OO1H/rB:s1;s1;s3;s2;s3;s6;;s7;s7;s8s9;s8;s9;s11;s2;s15;s15;s16;s17;s17;s18s19;s18;s19;s21;s6s8;s5s16;s4s25;s26;s27;;s30;s30;s32;s31;s32;s35;;s36;s36;s37s38;s37;s38;s40;s31;s44;s44;s45;s46;s46;s47s48;s47;s48;s50;s35s37;s29s34s45;s28s33s54;s4s5s33s34;s57;s58;s58;s59;s59;s60;s60;s61s63;s61;s63;s65;s57;s69;s69;s70;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; /home/acooksy/opt/g16AMD/g16/g16 Output=/home/acooksy/cooksy/gaussd/jing_2020/m06_pc2/co-pc-Py_HOCO_+2_1_pcm.log nprocshared=8 mem=200mw chk=HOCO_pc_pyridine+2solv_freq.chk #p m06/gen density=current scrf=(iefpcm,solvent=water) pop=nboread 1/30=1,38=1,172=1/1 2/12=2,17=6,18=5,40=1/2 3/5=7,11=2,25=1,30=1,70=2201,72=1,74=-54/1,2,3 4//1 5/5=2,38=5,53=1/2 6/7=2,8=2,9=2,10=2,22=-1,28=1,40=2/1,7 99/5=1,9=1/99 Title Card Required 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 61 62 63 64 65 66 67 68 69 70 71 72 14 12 12 14 14 12 12 12 12 1 12 1 1 1 12 12 12 12 12 1 12 1 1 1 12 12 12 14 14 14 12 12 14 14 12 12 12 12 1 12 1 1 1 12 12 12 12 12 1 12 1 1 1 12 12 12 59 14 12 12 12 1 12 1 12 1 1 1 12 16 16 1 14.0030740 12.0000000 12.0000000 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 58.9331978 14.0030740 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 15.9949146 15.9949146 1.0078250 2 0 0 2 2 0 0 0 0 1 0 1 1 1 0 0 0 0 0 1 0 1 1 1 0 0 0 2 2 2 0 0 2 2 0 0 0 0 1 0 1 1 1 0 0 0 0 0 1 0 1 1 1 0 0 0 7 2 0 0 0 1 0 1 0 1 1 1 0 0 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 -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 /home/acooksy/opt/g16AMD/g16/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. One-electron integral symmetry used in STVInt PrsmSu: requested number of processors reduced to: 6 ShMem 1 Linda. NBasis= 1859 RedAO= T EigKep= 1.09D-05 NBF= 1859 NBsUse= 1859 1.00D-06 EigRej= -1.00D+00 NBFU= 1859 (5D, 7F) 10 12 13 14 20 22 23 24 39 41 42 43 49 51 52 53 62 64 66 67 68 72 S 4 1.00 7.5423000000e+01 1.1350000000e+01 2.5993000000e+00 7.3513000000e-01 2.4065000000e-03 1.8487000000e-02 8.9742000000e-02 2.8111000000e-01 S 1 1.00 2.3167000000e-01 1.0000000000e+00 S 1 1.00 7.4147000000e-02 1.0000000000e+00 P 1 1.00 1.6000000000e+00 1.0000000000e+00 P 1 1.00 4.5000000000e-01 1.0000000000e+00 D 1 1.00 1.2500000000e+00 1.0000000000e+00 2 3 6 7 8 9 11 15 16 17 18 19 21 25 26 27 31 32 35 36 37 38 40 44 45 46 47 48 50 54 55 56 59 60 61 63 65 69 S 7 1.00 7.8571000000e+03 1.1787000000e+03 2.6832000000e+02 7.5948000000e+01 2.4559000000e+01 8.6212000000e+00 3.1278000000e+00 5.6825000000e-04 4.3915000000e-03 2.2504000000e-02 8.6653000000e-02 2.4405000000e-01 4.4148000000e-01 3.5332000000e-01 S 7 1.00 1.1787000000e+03 2.6832000000e+02 7.5948000000e+01 2.4559000000e+01 8.6212000000e+00 3.1278000000e+00 8.2202000000e-01 -5.9492000000e-07 -6.2748000000e-05 -7.5773000000e-04 -7.3308000000e-03 -3.8932000000e-02 -8.8908000000e-02 2.1689000000e-01 S 1 1.00 3.3017000000e-01 1.0000000000e+00 S 1 1.00 1.1463000000e-01 1.0000000000e+00 P 4 1.00 3.3775000000e+01 7.6766000000e+00 2.2357000000e+00 7.6447000000e-01 6.0294000000e-03 4.3228000000e-02 1.6301000000e-01 3.6504000000e-01 P 1 1.00 2.6232000000e-01 1.0000000000e+00 P 1 1.00 8.4638000000e-02 1.0000000000e+00 D 1 1.00 1.4000000000e+00 1.0000000000e+00 D 1 1.00 4.5000000000e-01 1.0000000000e+00 F 1 1.00 9.5000000000e-01 1.0000000000e+00 1 4 5 28 29 30 33 34 58 S 7 1.00 1.1101000000e+04 1.6653000000e+03 3.7908000000e+02 1.0730000000e+02 3.4747000000e+01 1.2249000000e+01 4.4743000000e+00 5.4570000000e-04 4.2181000000e-03 2.1645000000e-02 8.3776000000e-02 2.3881000000e-01 4.3994000000e-01 3.6364000000e-01 S 7 1.00 1.6653000000e+03 3.7908000000e+02 1.0730000000e+02 3.4747000000e+01 1.2249000000e+01 4.4743000000e+00 1.2404000000e+00 -1.5006000000e-06 -5.8753000000e-05 -7.7453000000e-04 -7.2161000000e-03 -3.9338000000e-02 -9.0611000000e-02 1.9882000000e-01 S 1 1.00 4.8743000000e-01 1.0000000000e+00 S 1 1.00 1.6484000000e-01 1.0000000000e+00 P 4 1.00 4.7934000000e+01 1.0999000000e+01 3.2472000000e+00 1.1114000000e+00 6.1706000000e-03 4.4260000000e-02 1.6825000000e-01 3.6848000000e-01 P 1 1.00 3.7988000000e-01 1.0000000000e+00 P 1 1.00 1.2068000000e-01 1.0000000000e+00 D 1 1.00 1.8000000000e+00 1.0000000000e+00 D 1 1.00 5.5000000000e-01 1.0000000000e+00 F 1 1.00 1.0200000000e+00 1.0000000000e+00 70 71 S 7 1.00 1.4782000000e+04 2.2173000000e+03 5.0474000000e+02 1.4287000000e+02 4.6300000000e+01 1.6337000000e+01 5.9828000000e+00 5.3519000000e-04 4.1375000000e-03 2.1245000000e-02 8.2453000000e-02 2.3671000000e-01 4.4039000000e-01 3.6465000000e-01 S 7 1.00 2.2173000000e+03 5.0474000000e+02 1.4287000000e+02 4.6300000000e+01 1.6337000000e+01 5.9828000000e+00 1.6718000000e+00 -1.9275000000e-06 -5.7964000000e-05 -7.9494000000e-04 -7.3125000000e-03 -4.0574000000e-02 -9.1594000000e-02 2.0940000000e-01 S 1 1.00 6.4662000000e-01 1.0000000000e+00 S 1 1.00 2.1669000000e-01 1.0000000000e+00 P 4 1.00 6.0424000000e+01 1.3935000000e+01 4.1531000000e+00 1.4158000000e+00 6.8949000000e-03 4.9005000000e-02 1.8255000000e-01 3.7633000000e-01 P 1 1.00 4.7549000000e-01 1.0000000000e+00 P 1 1.00 1.4529000000e-01 1.0000000000e+00 D 1 1.00 2.2000000000e+00 1.0000000000e+00 D 1 1.00 6.5000000000e-01 1.0000000000e+00 F 1 1.00 1.1000000000e+00 1.0000000000e+00 57 S 14 1.00 9.6756000000e+05 1.4492000000e+05 3.2982000000e+04 9.3406000000e+03 3.0458000000e+03 1.0984000000e+03 4.2693000000e+02 1.7585000000e+02 7.4851000000e+01 2.8371000000e+01 1.3524000000e+01 6.2721000000e+00 2.2277000000e+00 8.7368000000e-01 7.8814000000e-05 6.1231000000e-04 3.2094000000e-03 1.3385000000e-02 4.6967000000e-02 1.3808000000e-01 3.2080000000e-01 5.0000000000e-01 3.8302000000e-01 6.6704000000e-02 -1.2043000000e-02 4.4377000000e-03 -1.4264000000e-03 5.0811000000e-04 S 14 1.00 9.6756000000e+05 1.4492000000e+05 3.2982000000e+04 9.3406000000e+03 3.0458000000e+03 1.0984000000e+03 4.2693000000e+02 1.7585000000e+02 7.4851000000e+01 2.8371000000e+01 1.3524000000e+01 6.2721000000e+00 2.2277000000e+00 8.7368000000e-01 -1.5449000000e-05 -1.2027000000e-04 -6.3016000000e-04 -2.6525000000e-03 -9.4385000000e-03 -2.9214000000e-02 -7.5315000000e-02 -1.5066000000e-01 -1.6697000000e-01 1.3247000000e-01 5.0000000000e-01 3.1104000000e-01 2.1202000000e-02 -2.8156000000e-03 S 14 1.00 9.6756000000e+05 1.4492000000e+05 3.2982000000e+04 9.3406000000e+03 3.0458000000e+03 1.0984000000e+03 4.2693000000e+02 1.7585000000e+02 7.4851000000e+01 2.8371000000e+01 1.3524000000e+01 6.2721000000e+00 2.2277000000e+00 8.7368000000e-01 5.2150000000e-06 4.0728000000e-05 2.1247000000e-04 9.0045000000e-04 3.1860000000e-03 1.0014000000e-02 2.5833000000e-02 5.4238000000e-02 6.2059000000e-02 -5.6405000000e-02 -3.2171000000e-01 -2.2270000000e-01 5.0000000000e-01 4.3239000000e-01 S 14 1.00 9.6756000000e+05 1.4492000000e+05 3.2982000000e+04 9.3406000000e+03 3.0458000000e+03 1.0984000000e+03 4.2693000000e+02 1.7585000000e+02 7.4851000000e+01 2.8371000000e+01 1.3524000000e+01 6.2721000000e+00 2.2277000000e+00 8.7368000000e-01 2.7170000000e-06 2.1197000000e-05 1.1075000000e-04 4.6846000000e-04 1.6622000000e-03 5.2109000000e-03 1.3522000000e-02 2.8324000000e-02 3.3055000000e-02 -3.1353000000e-02 -1.7837000000e-01 -1.3736000000e-01 3.8420000000e-01 5.0000000000e-01 S 1 1.00 1.5030000000e-01 1.0000000000e+00 S 1 1.00 5.1867000000e-02 1.0000000000e+00 S 1 1.00 1.6743000000e-02 1.0000000000e+00 P 9 1.00 3.7192000000e+03 8.8183000000e+02 2.8444000000e+02 1.0717000000e+02 4.4524000000e+01 1.9521000000e+01 8.7403000000e+00 3.6776000000e+00 1.5215000000e+00 8.6636000000e-04 7.3917000000e-03 3.9186000000e-02 1.4074000000e-01 3.4198000000e-01 5.0000000000e-01 3.3602000000e-01 5.4856000000e-02 -2.8847000000e-03 P 9 1.00 3.7192000000e+03 8.8183000000e+02 2.8444000000e+02 1.0717000000e+02 4.4524000000e+01 1.9521000000e+01 8.7403000000e+00 3.6776000000e+00 1.5215000000e+00 -2.4710000000e-04 -2.1280000000e-03 -1.1384000000e-02 -4.2349000000e-02 -1.0822000000e-01 -1.6969000000e-01 -5.3963000000e-02 3.4573000000e-01 5.0000000000e-01 P 1 1.00 5.8405000000e-01 1.0000000000e+00 P 1 1.00 1.2700000000e-01 1.0000000000e+00 P 1 1.00 2.6465000000e-02 1.0000000000e+00 D 6 1.00 1.5258000000e+02 4.5365000000e+01 1.6950000000e+01 6.8539000000e+00 2.9059000000e+00 1.1952000000e+00 3.5162000000e-03 2.7079000000e-02 1.1311000000e-01 2.9625000000e-01 4.6795000000e-01 5.0000000000e-01 D 1 1.00 4.5954000000e-01 1.0000000000e+00 D 1 1.00 1.5661000000e-01 1.0000000000e+00 D 1 1.00 4.9966000000e-02 1.0000000000e+00 F 1 1.00 3.9080000000e+00 1.0000000000e+00 F 1 1.00 8.6800000000e-01 1.0000000000e+00 F 1 1.00 1.0586000000e-01 1.0000000000e+00 G 1 1.00 1.9800000000e+00 1.0000000000e+00 G 1 1.00 1.3232000000e-01 1.0000000000e+00 0.10000e-02 0.10000e-05 F 69 1517 IExCor= 4235 DFT=T Ex+Corr=M06 ExCW=0 ScaHFX= 0.270000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi= 4 72 72 72 1.00e+00 60 T PCM UFF Total charges None On-the-fly selection Water 78.355300 1.777849 C38H22CoN9O2(2+) 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 0 0 0 0 0 0 0 0 0 0 0 0 673.3989 AuxInfo=1/0/N:9,11,19,21,50,48,40,38,7,8,17,18,47,46,37,36,6,25,15,16,45,44,54,35,3,27,2,55,26,31,56,32,4,5,34,33,1,29,28,30;65,61,63,59,60,58;69,70,71;57/E:(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);(2,3)(4,5);;/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,22.3,23.3,24.3,25.3,26.3,27.3,28.3,29.3,30.3,31.3,32.3,33-1,34-1,35-1,36-1,37.2,38.2,39.2,40.2;1.3,2.3,3.3,4.3,5.3,6-1;1.2,3.1;/rA:72N2C3C3NNC3C3C3C3HC3HHHC3C3C3C3C3HC3HHHC3C3C3N2N2N2C3C3NNC3C3C3C3HC3HHHC3C3C3C3C3HC3HHHC3C3C3CoNC3C3C3HC3HC3HHHC3OO1H/rB:s1;s1;s3;s2;s3;s6;;s7;s7;s8s9;s8;s9;s11;s2;s15;s15;s16;s17;s17;s18s19;s18;s19;s21;s6s8;s5s16;s4s25;s26;s27;;s30;s30;s32;s31;s32;s35;;s36;s36;s37s38;s37;s38;s40;s31;s44;s44;s45;s46;s46;s47s48;s47;s48;s50;s35s37;s29s34s45;s28s33s54;s4s5s33s34;s57;s58;s58;s59;s59;s60;s60;s61s63;s61;s63;s65;s57;s69;s69;s70;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.0737594 0.0733993 0.0454504 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= 2028 2020 2020 2026 2028 MxSgAt= 72 MxSgA2= 72. 1 Closed 1 1 1 -3485.38770447094 -3483.75632210988 1.631382361062 -3485.90117407968 -2.144851969801 -3486.38097287721 -0.479798797531 -3486.41695019245 -0.035977315240 -3486.42865995804 -0.011709765593 -3486.43042168420 -0.001761726156 -3486.43083488552 -0.000413201322 -3486.43086135718 -0.000026471655 -3486.43086901619 -0.000007659009 -3486.43086983630 -0.000000820119 -3486.43086996712 -0.000000130818 -3486.43087001043 -0.000000043310 -3486.43087001927 -0.000000008837 -3486.43087002157 -0.000000002301 -3486.43087002043 0.000000001139 -3486.43087002158 -0.000000001151 -3486.43087002054 0.000000001048 -3486.43087002150 -0.000000000960 -3486.43087002 19 3.479502762432e+03 -2.295145945810e+04 8.572282606845e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 209715200 LenX= 200426440 LenY= 195797488 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. 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Mulliken charges: 1 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 61 62 63 64 65 66 67 68 69 70 71 72 N C C N N C C C C H C H H H C C C C C H C H H H C C C N N N C C N N C C C C H C H H H C C C C C H C H H H C C C Co N C C C H C H C H H H C O O H -0.383968 0.315211 0.320850 -0.100532 -0.067879 0.126329 -0.100544 -0.106182 -0.012043 0.064909 -0.010901 0.063032 0.074028 0.073649 0.135585 0.135559 -0.101141 -0.103717 -0.012812 0.063664 -0.011936 0.063934 0.073523 0.073893 0.142193 0.306692 0.311608 -0.374229 -0.371722 -0.384989 0.377082 0.313029 -0.129721 -0.181908 0.124518 -0.100196 -0.105142 -0.011176 0.064984 -0.010732 0.064122 0.074696 0.073930 0.111964 0.137007 -0.099621 -0.105026 -0.009569 0.064819 -0.012242 0.065107 0.074998 0.074270 0.147541 0.274236 0.278194 -0.161253 -0.042370 0.128360 0.132524 -0.112695 0.077590 -0.112549 0.072415 0.030142 0.059935 0.060676 0.081804 0.635765 -0.381768 -0.493715 0.267909 2.00000 -1.2279 -3.6329 7.7187 8.6189 -118.4455 -127.9405 -266.0833 -1.4820 2.6691 7.9435 52.3776 42.8826 -95.2602 -1.4820 2.6691 7.9435 -1.2630 -3.1138 190.6052 -2.5551 -5.6914 -44.1447 -11.9276 -37.1648 -33.5737 14.0016 -10191.6276 -10089.2919 -2931.9634 218.1638 15.0419 -218.1468 115.2415 -3.7138 -36.3885 -2099.9047 -3091.6545 -3225.5608 10.4624 10.0841 -28.0658 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-DGX ACOOKSY 2021-12-28T00:00:00.000 0 TitleCard Required 2 1 Version=EM64L-G16RevB.01 State=1-A HF=-3486.43087 RMSD=7.525e-10 Dipole=-0.4830911,-1.4293047,3.0367894 Quadrupole=38.9414547,31.882182,-70.8236367,-1.1018708,1.9844397,5.9057873 PG=C01 [X(C38H22Co1N9O2)] 0 0.183782 3.327283 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