Gaussian 09 5-Sep-2023 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 RB3LYP GenECP SP #p b3lyp genecp scrf=(solvent=dichloromethane,pcm) nosymm empiricaldispersion=gd3 scf=(xqc,maxcyc=1024) 492.17571099999986 1 1 AuxInfo=1/0/N:15,19,48,44,46,4,37,42,43,39,3,9,7,14,41,1,2,12,8;24,28,32,23;36/E:(1,2)(4,5)(8,9);(1,2,3);/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,13.2,14.3,15.3,16.3,17.3,19.3;;/rA:51nC3C3C3C3HHC3C3CHHCHC3CHHHCHHHP4CHHHCHHHCHHHAuC3HC3HC3C3C3C3HC3HC3HHH/rB:s1;s2;;s3;s4;s2;s7;s1;s9;s9;s8s9;s12;s12;s14;s15;s15;s15;s14;s19;s19;s19;;s23;s24;s24;s24;s23;s28;s28;s28;s23;s32;s32;s32;s7s23;s3s4;s37;s1s4;s39;s8;s41;s41;s42;s42;s43;s43;s44s46;s44;s46;s48;/rC:2.6458,-2.2508,.3646;1.3575,-2.0227,-.1676;.6272,-3.1286,-.6406;2.4247,-4.6292,-.0434;-.3665,-2.9645,-1.0489;2.8403,-5.6315,.0063;.7909,-.6586,-.1655;1.6311,.4223,-.0762;3.4337,-1.0671,.8709;3.1525,-.8398,1.9107;4.4995,-1.2975,.8739;3.1046,.1829,.0678;3.5991,.0255,-1.0416;4.1325,1.1404,-.2092;3.8976,2.3946,-.9866;4.7537,2.5981,-1.6364;3.8316,3.2163,-.2583;2.9751,2.3904,-1.5634;5.5395,.9105,.27;5.5458,.7516,1.3538;6.17,1.7664,.0248;5.9845,.0232,-.1937;-3.5964,-.0272,-.0213;-4.1063,1.0232,1.398;-5.1902,1.1787,1.3902;-3.5987,1.99,1.3344;-3.8156,.5369,2.3335;-4.2776,.8425,-1.4902;-5.3532,1.0106,-1.3728;-4.0993,.2407,-2.386;-3.7691,1.804,-1.607;-4.6313,-1.537,.1366;-4.3539,-2.074,1.0483;-4.4554,-2.1912,-.7222;-5.6926,-1.2705,.1794;-1.2788,-.3914,-.131;1.1572,-4.417,-.5923;.5793,-5.2546,-.9723;3.1628,-3.5442,.4368;4.1521,-3.7043,.8587;1.1088,1.8171,-.0034;1.4156,2.6263,1.1027;.2829,2.3441,-1.0116;.895,3.9178,1.2098;2.0533,2.2353,1.8925;-.2368,3.6355,-.9063;.0614,1.7366,-1.8841;.0647,4.4258,.2065;1.1347,4.5248,2.0784;-.8699,4.0266,-1.6982;-.3374,5.4316,.288;/R:/0/N:15,19,24,28,32,48,44,46,4,37,42,43,39,3,9,14,41,1,2,12,8,7,36,23/E:(1,2)(3,4,5)(7,8)(11,12)/CRV:6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,16.3,17.3,18.3,19.3,21.3,22.3,23.2,24.4 g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-27835.inp" -scrdir="/scratch/" nprocshared=20 mem=41GB #p b3lyp genecp scrf=(solvent=dichloromethane,pcm) nosymm empiricaldis 1/38=1/1 2/12=2,15=1,17=6,18=5,40=1/2 3/5=7,11=2,16=1,17=8,25=1,30=1,70=2201,72=9,74=-5,124=31/1,2,3 4//1 5/5=2,7=1024,8=3,13=1,38=5,53=9/2,8 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 single point 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 12 12 12 12 1 1 12 12 12 1 1 12 1 12 12 1 1 1 12 1 1 1 31 12 1 1 1 12 1 1 1 12 1 1 1 197 12 1 12 1 12 12 12 12 1 12 1 12 1 1 1 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 30.9737634 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 196.9666000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 0 0 0 0 1 1 0 0 0 1 1 0 1 0 0 1 1 1 0 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 3 0 1 0 1 0 0 0 0 1 0 1 0 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 (Enter /mnt/data/applications/G09/g09/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. (5D, 7F) 1 2 3 4 7 8 9 12 14 15 19 24 28 32 37 39 41 42 43 44 46 48 5 6 10 11 13 16 17 18 20 21 22 25 26 27 29 30 31 33 34 35 38 40 45 47 49 50 51 23 6-311+G(d,p) 36 SDD 1 6 No pseudopotential on this center. 2 6 No pseudopotential on this center. 3 6 No pseudopotential on this center. 4 6 No pseudopotential on this center. 5 1 No pseudopotential on this center. 6 1 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 1 No pseudopotential on this center. 11 1 No pseudopotential on this center. 12 6 No pseudopotential on this center. 13 1 No pseudopotential on this center. 14 6 No pseudopotential on this center. 15 6 No pseudopotential on this center. 16 1 No pseudopotential on this center. 17 1 No pseudopotential on this center. 18 1 No pseudopotential on this center. 19 6 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 15 No pseudopotential on this center. 24 6 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 6 No pseudopotential on this center. 29 1 No pseudopotential on this center. 30 1 No pseudopotential on this center. 31 1 No pseudopotential on this center. 32 6 No pseudopotential on this center. 33 1 No pseudopotential on this center. 34 1 No pseudopotential on this center. 35 1 No pseudopotential on this center. 36 79 19 G and up 2 1.0000000 0.00000000 0.00000000 S - G 2 2 13.2051000 6.6025500 426.84667900 37.00708300 0.00000000 0.00000000 P - G 2 2 10.4520200 5.2260100 261.19958000 26.96249600 0.00000000 0.00000000 D - G 2 2 7.8511000 3.9255500 124.79066600 16.30072600 0.00000000 0.00000000 F - G 2 2 4.7898200 2.3949100 30.49008900 5.17107400 0.00000000 0.00000000 37 6 No pseudopotential on this center. 38 1 No pseudopotential on this center. 39 6 No pseudopotential on this center. 40 1 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 1 No pseudopotential on this center. 46 6 No pseudopotential on this center. 47 1 No pseudopotential on this center. 48 6 No pseudopotential on this center. 49 1 No pseudopotential on this center. 50 1 No pseudopotential on this center. 51 1 No pseudopotential on this center. 0.10000e-02 0.10000e-05 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 0 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 51 51 51 1.00e+00 60 F Grimme-D3 -0.0589545279 PCM (using non-symmetric T matrix) UFF Total charges None On-the-fly selection Dichloromethane 8.930000 2.028346 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 0 492.17571099999986 AuxInfo=1/0/N:15,19,48,44,46,4,37,42,43,39,3,9,7,14,41,1,2,12,8;24,28,32,23;36/E:(1,2)(4,5)(8,9);(1,2,3);/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,13.2,14.3,15.3,16.3,17.3,19.3;;/rA:51nC3C3C3C3HHC3C3CHHCHC3CHHHCHHHP4CHHHCHHHCHHHAuC3HC3HC3C3C3C3HC3HC3HHH/rB:s1;s2;;s3;s4;s2;s7;s1;s9;s9;s8s9;s12;s12;s14;s15;s15;s15;s14;s19;s19;s19;;s23;s24;s24;s24;s23;s28;s28;s28;s23;s32;s32;s32;s7s23;s3s4;s37;s1s4;s39;s8;s41;s41;s42;s42;s43;s43;s44s46;s44;s46;s48;/rC:2.6458,-2.2508,.3646;1.3575,-2.0227,-.1676;.6272,-3.1287,-.6406;2.4247,-4.6292,-.0434;-.3665,-2.9645,-1.0489;2.8403,-5.6315,.0063;.7909,-.6586,-.1655;1.6311,.4222,-.0762;3.4337,-1.0671,.8709;3.1525,-.8398,1.9107;4.4995,-1.2975,.8739;3.1046,.1829,.0678;3.5991,.0255,-1.0416;4.1325,1.1404,-.2092;3.8976,2.3946,-.9866;4.7536,2.5981,-1.6364;3.8316,3.2162,-.2583;2.9751,2.3904,-1.5634;5.5395,.9105,.27;5.5458,.7516,1.3538;6.17,1.7664,.0248;5.9846,.0232,-.1937;-3.5964,-.0273,-.0213;-4.1064,1.0232,1.398;-5.1902,1.1787,1.3902;-3.5987,1.99,1.3344;-3.8156,.5369,2.3335;-4.2776,.8425,-1.4902;-5.3532,1.0106,-1.3729;-4.0993,.2407,-2.386;-3.7691,1.804,-1.607;-4.6313,-1.537,.1366;-4.3539,-2.074,1.0483;-4.4554,-2.1912,-.7222;-5.6926,-1.2705,.1794;-1.2788,-.3914,-.131;1.1572,-4.417,-.5923;.5793,-5.2546,-.9723;3.1628,-3.5442,.4368;4.1521,-3.7043,.8587;1.1088,1.8171,-.0034;1.4156,2.6263,1.1027;.2829,2.3441,-1.0116;.895,3.9178,1.2098;2.0533,2.2353,1.8925;-.2368,3.6355,-.9063;.0614,1.7366,-1.8841;.0647,4.4258,.2065;1.1347,4.5248,2.0784;-.8699,4.0266,-1.6982;-.3374,5.4316,.288;/R:/0/N:15,19,24,28,32,48,44,46,4,37,42,43,39,3,9,14,41,1,2,12,8,7,36,23/E:(1,2)(3,4,5)(7,8)(11,12)/CRV:6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,16.3,17.3,18.3,19.3,21.3,22.3,23.2,24.4 0.2271856 0.1475620 0.0959445 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Defaulting to unpruned grid for atomic number 79. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 726 726 726 726 726 MxSgAt= 51 MxSgA2= 51. 1 Closed 1 1 1 -1330.18117854610 -1330.53484114502 -0.353662598924 -1331.78882339043 -1.253982245405 -1331.83024666231 -0.041423271889 -1331.87282662534 -0.042579963020 -1331.87730049002 -0.004473864689 -1331.87748295070 -0.000182460671 -1331.87750325734 -0.000020306641 -1331.87750831795 -0.000005060610 -1331.87750868856 -0.000000370615 -1331.87750876471 -0.000000076152 -1331.87750876783 -0.000000003116 -1331.87750876866 -0.000000000831 -1331.87750876858 0.000000000085 -1331.87750876858 -0.000000000002 -1331.87750876876 -0.000000000183 -1331.87750877 16 1.236766111072e+03 -7.802485767282e+03 2.859903359346e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. IVT= 1671772 IEndB= 1671772 NGot= 5502926848 MDV= 5501817099 LenX= 5501817099 LenY= 5501271717 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. PT6862.600S Tue Sep 5 15:51:37 2023 -10.21230 -10.21086 -10.20775 -10.20639 -10.20130 -10.20008 -10.19435 -10.19381 -10.19360 -10.19324 -10.19299 -10.19264 -10.19210 -10.19136 -10.19119 -10.19119 -10.19081 -10.19027 -6.59400 -4.75508 -4.75507 -4.75250 -4.16754 -2.35499 -2.33525 -2.33410 -0.93367 -0.88444 -0.87831 -0.83444 -0.80306 -0.79706 -0.77967 -0.76733 -0.76561 -0.75178 -0.73274 -0.71888 -0.71845 -0.70286 -0.64889 -0.62724 -0.61619 -0.60657 -0.59321 -0.57374 -0.55731 -0.54056 -0.52965 -0.51756 -0.50890 -0.48678 -0.47855 -0.47470 -0.47180 -0.46723 -0.46111 -0.45548 -0.45419 -0.45386 -0.44546 -0.44123 -0.43926 -0.43065 -0.42916 -0.42775 -0.42743 -0.42688 -0.41407 -0.41308 -0.40342 -0.39832 -0.38725 -0.38099 -0.37483 -0.37085 -0.37017 -0.36442 -0.36147 -0.35223 -0.34122 -0.31971 -0.31004 -0.30862 -0.30212 -0.28561 -0.27849 -0.27256 -0.27125 -0.25930 -0.23480 -0.11457 -0.06686 -0.03971 -0.03415 -0.03087 -0.02742 -0.02365 -0.01557 -0.01429 0.00180 0.00318 0.00615 0.00942 0.01395 0.01960 0.02254 0.02774 0.03037 0.03146 0.03328 0.03581 0.03673 0.03943 0.04113 0.04551 0.04724 0.04890 0.05277 0.05311 0.06056 0.06273 0.06505 0.06817 0.07194 0.07537 0.07921 0.08082 0.08237 0.08434 0.08739 0.08835 0.09230 0.09617 0.09686 0.10013 0.10116 0.10350 0.10467 0.10621 0.11260 0.11408 0.11830 0.11953 0.12289 0.12382 0.12644 0.12819 0.13173 0.13239 0.13629 0.13912 0.14026 0.14153 0.14453 0.14638 0.14702 0.14876 0.15236 0.15613 0.15939 0.16045 0.16271 0.16475 0.16648 0.16820 0.17167 0.17392 0.17464 0.17716 0.18028 0.18099 0.18614 0.18731 0.18994 0.19437 0.19596 0.19700 0.20100 0.20288 0.20451 0.20586 0.20992 0.21131 0.21284 0.21412 0.21511 0.21698 0.22111 0.22188 0.22250 0.22793 0.23134 0.23219 0.23367 0.23980 0.24139 0.24526 0.24540 0.24567 0.24903 0.25250 0.25824 0.25976 0.26140 0.26402 0.26817 0.27150 0.27257 0.27884 0.28059 0.28542 0.28863 0.28955 0.29107 0.29451 0.29608 0.29897 0.30234 0.30509 0.30605 0.30760 0.30972 0.31263 0.31730 0.31917 0.32144 0.32555 0.33067 0.33374 0.33730 0.33998 0.34176 0.34552 0.34787 0.35220 0.35811 0.36174 0.36397 0.36862 0.37839 0.38463 0.39375 0.40160 0.40459 0.41111 0.42718 0.42769 0.43522 0.44403 0.45679 0.45785 0.47086 0.47959 0.48422 0.49285 0.49443 0.49831 0.50852 0.51564 0.51624 0.51965 0.52235 0.52444 0.52893 0.53184 0.53486 0.54078 0.54433 0.54506 0.55206 0.55249 0.55649 0.56268 0.56928 0.57604 0.57827 0.58268 0.58905 0.59666 0.59722 0.60416 0.60890 0.61204 0.61690 0.62486 0.62638 0.62780 0.63105 0.63355 0.63610 0.64276 0.64778 0.65299 0.65416 0.65792 0.66029 0.66322 0.66877 0.67023 0.67504 0.67856 0.68094 0.68631 0.68744 0.68852 0.69048 0.69679 0.69901 0.70359 0.70559 0.71245 0.71535 0.71658 0.72329 0.72674 0.72805 0.73159 0.73269 0.73920 0.74324 0.75135 0.75630 0.76073 0.76315 0.76835 0.77245 0.77499 0.78250 0.79151 0.79397 0.80421 0.80889 0.81657 0.81992 0.82211 0.82861 0.82929 0.83533 0.83826 0.84437 0.84730 0.85841 0.86605 0.86764 0.88248 0.88402 0.89404 0.90064 0.90784 0.91074 0.91660 0.92663 0.93071 0.93439 0.94050 0.95136 0.95586 0.96209 0.96394 0.97321 0.97860 0.99077 1.00027 1.00977 1.01288 1.01672 1.02155 1.02914 1.03569 1.03910 1.04207 1.04735 1.06526 1.06853 1.07392 1.08302 1.09060 1.10112 1.10483 1.11438 1.12071 1.12724 1.14092 1.15277 1.16651 1.17303 1.17800 1.19221 1.21961 1.22666 1.23256 1.24309 1.25472 1.26091 1.27588 1.29557 1.30446 1.32504 1.32614 1.34355 1.36501 1.38020 1.39636 1.41119 1.41412 1.41977 1.42891 1.43018 1.43562 1.43985 1.44266 1.46142 1.47854 1.48014 1.48604 1.50163 1.50279 1.50578 1.51313 1.51981 1.52534 1.53927 1.54125 1.55022 1.55281 1.55999 1.56179 1.56383 1.56568 1.56752 1.56861 1.57017 1.57668 1.57944 1.58220 1.58957 1.59317 1.59772 1.61201 1.61868 1.61970 1.62306 1.63741 1.63842 1.64235 1.64778 1.64958 1.65868 1.66263 1.67194 1.68028 1.69232 1.69642 1.70915 1.72283 1.72516 1.73025 1.73444 1.73968 1.74028 1.74962 1.75264 1.75847 1.76295 1.77190 1.78328 1.79008 1.79500 1.79943 1.80879 1.81361 1.81916 1.82258 1.82673 1.83226 1.85382 1.87786 1.88163 1.89046 1.89906 1.90095 1.90947 1.91699 1.91914 1.92780 1.92971 1.93753 1.94624 1.95057 1.95119 1.95940 1.96404 1.97483 1.98313 1.99135 1.99371 2.00229 2.01426 2.01650 2.02126 2.02420 2.02752 2.03310 2.03757 2.05452 2.06862 2.07484 2.09154 2.09943 2.10133 2.11343 2.13397 2.14289 2.15373 2.16454 2.16588 2.16880 2.18872 2.20557 2.22502 2.22638 2.23247 2.23729 2.24290 2.26784 2.28681 2.29852 2.30255 2.31701 2.33579 2.35057 2.36134 2.37818 2.39101 2.39754 2.40338 2.40814 2.41561 2.42723 2.43645 2.43791 2.44177 2.44918 2.45362 2.46182 2.48312 2.48482 2.49485 2.49543 2.49900 2.50325 2.50686 2.51246 2.51801 2.52922 2.53238 2.54409 2.57429 2.57569 2.57928 2.58382 2.58934 2.60343 2.61549 2.62643 2.63930 2.65813 2.66048 2.66338 2.67085 2.67865 2.68648 2.68982 2.70186 2.70757 2.71411 2.72366 2.73001 2.73368 2.74067 2.75045 2.75859 2.76789 2.77808 2.78775 2.78937 2.80567 2.81020 2.81926 2.82662 2.82892 2.83514 2.83782 2.85011 2.85674 2.86230 2.87478 2.88196 2.89638 2.90912 2.92270 2.92855 2.93151 2.93973 2.94729 2.95788 2.96566 2.98118 2.99374 3.01327 3.03980 3.05294 3.07512 3.10626 3.11071 3.11952 3.14786 3.17383 3.17832 3.19861 3.21689 3.22757 3.25054 3.27730 3.28548 3.29351 3.30001 3.35573 3.38233 3.38781 3.40703 3.41382 3.47759 3.49833 3.51146 3.53230 3.55095 3.57558 3.60386 3.63478 3.69860 3.71350 3.72291 3.72503 3.73720 3.74724 3.75063 3.76558 3.77014 3.77812 3.78922 3.81727 3.83514 3.93930 3.98183 4.00977 4.02236 4.03400 4.09428 4.14224 4.14844 4.16688 4.23724 4.25693 4.36995 4.51049 4.58592 4.83123 4.83437 7.19649 14.00553 14.01821 14.10355 23.53299 23.66241 23.70441 23.76224 23.82326 23.89086 23.91256 23.91584 23.92316 23.93071 23.94062 23.95369 23.95814 23.96130 23.96774 24.02560 24.03990 24.07527 24.07610 24.12257 24.16310 24.16955 43.76489 43.87431 44.06437 88.08300 163.37560 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 C C C C H H C C C H H C H C C H H H C H H H P C H H H C H H H C H H H Au C H C H C C C C H C H C H H H 0.248241 0.103061 -0.041272 -0.339810 0.142511 0.149385 -0.332749 0.171503 -0.918059 0.229939 0.161570 0.648032 0.302075 0.406248 -0.760626 0.201651 0.237239 0.213937 -0.543930 0.211190 0.190098 0.224329 0.588678 -0.766686 0.187295 0.207800 0.211591 -0.758505 0.187600 0.208842 0.206326 -0.633777 0.205378 0.204321 0.185211 0.390892 -0.339391 0.145797 -0.206076 0.138455 1.407814 -0.822758 -0.608260 -0.356482 0.150902 -0.355187 0.146827 -0.271606 0.147277 0.145414 0.147748 1.00000 6.5480 3.6900 -0.4091 7.5273 -57.1954 -143.3334 -161.2031 8.8873 3.4813 -0.4571 63.3819 -22.7561 -40.6258 8.8873 3.4813 -0.4571 -1.3977 -24.0358 19.2335 -28.7573 33.8878 9.3743 -57.9478 9.7570 3.4270 -7.8878 -5852.2721 -5115.9419 -752.7623 386.6468 -74.5568 64.9030 46.3098 -65.6687 -45.6055 -2101.5872 -1424.9125 -1080.2463 -82.0221 23.7640 98.2903 GINC-KIMIK6007 EGARCIA 2023-09-05T00:00:00.000 0 single point 1 1 Version=EM64L-G09RevD.01 HF=-1331.8775088 RMSD=7.564e-09 Dipole=1.815312,1.2854881,-0.1120401 Quadrupole=47.1228996,-16.918599,-30.2043006,6.6074749,2.5882454,-0.3398289 PG=C01 [X(C22H27Au1P1)] 0 2.645764 -2.250805 0.364602 0 1.35747 -2.022652 -0.167588 0 0.62723 -3.128651 -0.640644 0 2.424672 -4.629231 -0.043364 0 -0.366533 -2.964458 -1.048898 0 2.840304 -5.631539 0.00629 0 0.790889 -0.658641 -0.165478 0 1.631053 0.422249 -0.076228 0 3.43373 -1.067075 0.870864 0 3.152477 -0.839839 1.910713 0 4.499512 -1.29748 0.873857 0 3.104648 0.18288 0.067795 0 3.599138 0.025472 -1.041574 0 4.132517 1.140439 -0.209214 0 3.897572 2.394621 -0.986594 0 4.753648 2.598083 -1.636391 0 3.83158 3.216248 -0.258332 0 2.975142 2.390366 -1.563404 0 5.539453 0.91054 0.270006 0 5.545827 0.75163 1.353834 0 6.170025 1.766406 0.024774 0 5.984554 0.02319 -0.193703 0 -3.596389 -0.027252 -0.021296 0 -4.106353 1.023245 1.397982 0 -5.190226 1.17869 1.390162 0 -3.59871 1.990039 1.334391 0 -3.815581 0.536904 2.333509 0 -4.277584 0.842503 -1.490186 0 -5.353171 1.010561 -1.372852 0 -4.099256 0.240723 -2.386008 0 -3.76915 1.804034 -1.607005 0 -4.631302 -1.537012 0.136598 0 -4.353895 -2.073962 1.048343 0 -4.455381 -2.191232 -0.722198 0 -5.692613 -1.270494 0.179408 0 -1.278801 -0.391418 -0.130982 0 1.157239 -4.41698 -0.59231 0 0.579282 -5.254576 -0.972317 0 3.162806 -3.544167 0.436792 0 4.152092 -3.704329 0.858739 0 1.108773 1.817133 -0.003399 0 1.415593 2.62633 1.102675 0 0.282864 2.344147 -1.011603 0 0.894971 3.9178 1.209794 0 2.05326 2.235308 1.892519 0 -0.236824 3.635517 -0.906301 0 0.061363 1.736641 -1.884089 0 0.064729 4.425842 0.206502 0 1.134728 4.524777 2.078375 0 -0.869867 4.026589 -1.698173 0 -0.337398 5.431585 0.287982