Gaussian 16 14-Dec-2025 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 18 18 54 54 540 (5D, 7F) CBSB3** 33 CS[SG(C10H3F5)] RMN15 6-311G(2df,2p) SP #P MN15/6-311G(2df,2p) sp IOP(3/5=12) 215.09901599999995 0 1 AuxInfo=1/0/N:1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18/rA:18nC0C0C0C0C0C0C0C0C0C0F0F0F0F0F0H0H0H0/rB:;;;;;;;;;;;;;;;;;/rC:.3636,-.9682,0;.2244,.4401,0;-1.0733,.9837,0;1.6472,-1.5433,0;-.7854,-1.7789,0;1.4016,1.2129,0;-2.1684,.1827,0;2.7309,-.7355,0;-2.0098,-1.2083,0;2.6355,.6565,0;-1.2571,2.2824,0;1.3053,2.5258,0;-3.376,.6949,0;3.9429,-1.2598,0;-3.1021,-1.9383,0;1.7682,-2.614,0;-.7004,-2.8532,0;3.5183,1.2732,0; /prod/precompiled/gaussian/16c2/g16/g16 /prod/precompiled/gaussian/16c2/g16/l1.exe "/data/udgqfd/ocharapale/fluronapthalene/sp/5F_isomer_51_tmp/Gau-310684.inp" -scrdir="/data/udgqfd/ocharapale/fluronapthalene/sp/5F_isomer_51_tmp/" nproc=32 mem = 60GB chk=5F_isomer_51.chk #P MN15/6-311G(2df,2p) sp IOP(3/5=12) 1/38=1,172=1/1 2/12=2,17=6,18=5,40=1/2 3/5=12,6=6,7=204,11=2,25=1,30=1,74=-73/1,2,3 4//1 5/5=2,38=5/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 5F_isomer_51 opt 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 12 12 12 12 12 12 12 12 12 12 19 19 19 19 19 1 1 1 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 18.9984032 18.9984032 18.9984032 18.9984032 18.9984032 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 0 0 0 1 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 (Enter /prod/precompiled/gaussian/16c2/g16/l101.exe) 0.10000e-02 0.10000e-05 F 429 186 A' A" 369 171 A' A" 816 615 986.2008590126 18 1.00e+00 60 F IExCor= 7252 DFT=T Ex+Corr=MN15 ExCW=0 ScaHFX= 0.440000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi= 4 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 NBasis= 540 RedAO= T EigKep= 1.51D-06 NBF= 369 171 NBsUse= 538 1.00D-06 EigRej= 5.98D-07 NBFU= 367 171 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 215.09901599999995 AuxInfo=1/0/N:1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18/rA:18nC0C0C0C0C0C0C0C0C0C0F0F0F0F0F0H0H0H0/rB:;;;;;;;;;;;;;;;;;/rC:.3636,-.9682,0;.2244,.4401,0;-1.0733,.9837,0;1.6472,-1.5433,0;-.7854,-1.7789,0;1.4016,1.2129,0;-2.1684,.1827,0;2.7309,-.7355,0;-2.0098,-1.2083,0;2.6355,.6565,0;-1.2571,2.2823,0;1.3053,2.5258,0;-3.376,.6949,0;3.9429,-1.2598,0;-3.1021,-1.9383,0;1.7682,-2.614,0;-.7004,-2.8532,0;3.5183,1.2732,0; 0.000000 1.415199 0.000000 2.423775 1.407004 0.000000 1.406525 2.440962 3.713081 0.000000 1.406260 2.438057 2.777591 2.443985 0.000000 2.415500 1.408136 2.485510 2.767151 3.705962 0.000000 2.781262 2.406622 1.356741 4.187773 2.400092 3.715640 0.000000 2.378718 2.768499 4.174684 1.351684 3.667887 2.358701 4.984584 0.000000 2.385484 2.776500 2.383621 3.672257 1.350800 4.183236 1.399963 4.764198 0.000000 2.793068 2.420786 3.723279 2.411627 4.199310 1.353613 4.827219 1.395246 5.005612 0.000000 3.632165 2.364020 1.311579 4.803162 4.088570 2.865690 2.288896 5.001154 3.570845 4.218523 0.000000 3.618654 2.349066 2.834748 4.083445 4.785565 1.316403 4.190031 3.559287 4.993264 2.294331 2.573890 0.000000 4.092766 3.609471 2.320740 5.499287 3.582040 4.805619 1.311793 6.272228 2.342796 6.011694 2.647635 5.026608 0.000000 3.591198 4.088666 5.495130 2.313204 4.756778 3.545839 6.279251 1.320577 5.952932 2.319813 6.291839 4.613919 7.575507 0.000000 3.598943 4.089393 3.557283 4.765687 2.322164 5.496699 2.317454 5.955756 1.313857 6.297119 4.606334 6.273235 2.647437 7.077653 0.000000 2.163698 3.422132 4.584518 1.077487 2.686724 3.844420 4.828888 2.110787 4.031042 3.383504 5.755564 5.160579 6.116541 2.561851 4.916986 0.000000 2.164568 3.420751 3.855013 2.688261 1.077660 4.577297 3.372210 4.032163 2.102485 4.842125 5.165659 5.740762 4.443915 4.909082 2.570111 2.480151 0.000000 3.869892 3.397586 4.600760 3.381419 5.276147 2.117583 5.790303 2.157534 6.059488 1.076871 4.880849 2.542928 6.918555 2.568392 7.358265 4.262987 5.901239 0.000000 C10H3F5 CS 2 CS 2 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 215.09901599999995 AuxInfo=1/0/N:1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18/rA:18nC0C0C0C0C0C0C0C0C0C0F0F0F0F0F0H0H0H0/rB:;;;;;;;;;;;;;;;;;/rC:.7637,-.6974,0;0,.4941,0;-1.4031,.3888,0;2.1685,-.6267,0;.1083,-1.9416,0;.6977,1.7172,0;-2.0147,-.8222,0;2.767,.5853,0;-1.2416,-1.9894,0;2.0497,1.782,0;-2.1567,1.4623,0;.0155,2.8431,0;-3.3233,-.9145,0;4.0849,.6687,0;-1.8831,-3.136,0;2.7627,-1.5255,0;.6721,-2.86,0;2.556,2.7325,0; 1.0390681 0.4471164 0.3126021 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= 614 614 614 614 614 MxSgAt= 18 MxSgA2= 18. 1 = 3.60D-02 ExpMax= 1.14D+04 ExpMxC= 1.72D+03 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 functional with IExCor= 1009 and IRadAn= 5 diagonalized for initial guess. : IExCor= 1009 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 (A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A')|(A')|(A')|(A")|(A")|(A")|(A") (A")|(A")|(A")|(A')|(A')|(A")|(A')|(A')|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A')|(A')|(A")|(A")|(A')|(A')|(A')|(A')|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A')|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A")|(A')|(A')|(A')|(A')|(A')|(A")|(A')|(A')|(A')|(A')|(A")|(A')|(A')|(A')|(A')|(A")|(A')|(A')|(A')|(A")|(A')|(A')|(A')|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A')|(A")|(A")|(A')|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A')|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A')|(A')|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A')|(A')|(A')|(A")|(A')|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A')|(A')|(A")|(A')|(A')|(A')|(A")|(A")|(A")|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A")|(A")|(A')|(A")|(A')|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A')|(A')|(A")|(A")|(A')|(A')|(A')|(A")|(A")|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A')|(A')|(A")|(A')|(A')|(A")|(A")|(A")|(A")|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A")|(A')|(A')|(A')|(A')|(A")|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A")|(A')|(A')|(A')|(A')|(A")|(A")|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A")|(A')|(A")|(A")|(A")|(A")|(A')|(A')|(A')|(A")|(A')|(A")|(A")|(A")|(A')|(A")|(A')|(A')|(A')|(A')|(A")|(A')|(A")|(A")|(A")|(A')|(A')|(A')|(A')|(A")|(A')|(A')|(A')|(A')|(A')|(A")|(A")|(A")|(A")|(A')|(A')|(A")|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A")|(A")|(A")|(A")|(A")|(A')|(A')|(A')|(A')|(A')|(A")|(A")|(A")|(A")|(A")|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A') Closed 1 1 1 -881.278914022493 -881.376309009080 -0.097394986587 -881.455340253753 -0.079031244672 -881.498615690105 -0.043275436352 -881.505370481555 -0.006754791450 -881.505485858302 -0.000115376747 -881.505501624528 -0.000015766226 -881.505503874632 -0.000002250105 -881.505504163486 -0.000000288853 -881.505504191988 -0.000000028502 -881.505504200214 -0.000000008227 -881.505504200765 -0.000000000550 -881.505504200859 -0.000000000095 -881.505504200882 -0.000000000023 -881.505504201 14 8.804523631879e+02 -4.053225017831e+03 1.305066291430e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 8053063680 LenX= 8052280783 LenY= 8051901943 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. PT909.200S 2025-12-14T22:18:19.000 -24.30476 -24.30434 -24.30282 -24.29729 -24.29472 -10.16345 -10.16217 -10.16080 -10.15468 -10.15357 -10.09602 -10.08973 -10.07159 -10.06897 -10.06519 -1.31709 -1.30610 -1.29777 -1.29415 -1.29089 -0.97214 -0.91583 -0.85649 -0.82959 -0.80624 -0.73385 -0.71976 -0.70004 -0.65493 -0.64712 -0.64524 -0.61659 -0.59743 -0.59727 -0.59197 -0.57262 -0.56707 -0.55697 -0.54925 -0.54528 -0.53710 -0.52684 -0.51453 -0.50388 -0.49212 -0.46201 -0.45836 -0.44442 -0.43749 -0.42765 -0.38541 -0.34917 -0.30633 -0.27475 -0.04579 -0.01977 0.02203 0.02679 0.03840 0.04654 0.06471 0.07831 0.08176 0.08689 0.09882 0.10363 0.11283 0.11598 0.12302 0.12774 0.12827 0.13604 0.13839 0.14419 0.15640 0.15704 0.15975 0.16063 0.16376 0.17725 0.17975 0.18800 0.19183 0.19446 0.19662 0.20400 0.21060 0.21199 0.22398 0.22476 0.23753 0.23991 0.24891 0.24948 0.24996 0.26639 0.27348 0.28148 0.29013 0.29637 0.30118 0.30535 0.30892 0.32053 0.32231 0.32613 0.32951 0.33091 0.34221 0.34440 0.35815 0.35995 0.36436 0.37181 0.37702 0.39045 0.39982 0.40216 0.40503 0.41110 0.42344 0.42548 0.42852 0.43373 0.44245 0.45003 0.45842 0.46478 0.47033 0.47899 0.48222 0.50147 0.50186 0.50713 0.50819 0.53771 0.54889 0.55074 0.55587 0.56235 0.56417 0.58459 0.59055 0.59128 0.59422 0.60225 0.60278 0.61706 0.61709 0.63327 0.64015 0.64530 0.65547 0.66374 0.67399 0.67507 0.68814 0.70922 0.72412 0.72441 0.73871 0.74437 0.74723 0.75587 0.77142 0.77575 0.78324 0.78503 0.78868 0.79100 0.80074 0.82091 0.83816 0.84889 0.85749 0.87367 0.88404 0.89374 0.89554 0.91804 0.92257 0.93554 0.96575 0.99557 1.01286 1.01751 1.02400 1.03753 1.04570 1.05031 1.05622 1.08540 1.09370 1.09552 1.13962 1.14518 1.17016 1.17526 1.18758 1.20592 1.21750 1.22723 1.24711 1.26694 1.26840 1.27440 1.27890 1.31043 1.32150 1.33663 1.35973 1.36796 1.37025 1.38199 1.38780 1.39405 1.39540 1.40779 1.40780 1.41290 1.42271 1.43177 1.43446 1.44158 1.45396 1.45466 1.46954 1.47976 1.49833 1.52180 1.53150 1.55213 1.57063 1.57218 1.59634 1.59921 1.62024 1.63159 1.64405 1.65845 1.66677 1.70035 1.72520 1.74411 1.75117 1.78291 1.78974 1.82612 1.83475 1.87665 1.88760 1.91080 1.94203 1.96501 1.98722 2.03319 2.05395 2.05625 2.06502 2.07805 2.12710 2.13506 2.16199 2.19267 2.22524 2.24157 2.25023 2.25159 2.28104 2.28271 2.29372 2.32438 2.38152 2.39870 2.41609 2.44038 2.45623 2.51032 2.51394 2.54483 2.56634 2.56813 2.58364 2.61929 2.62267 2.62454 2.63692 2.64289 2.66934 2.67213 2.67678 2.68032 2.68568 2.70149 2.70967 2.72182 2.72693 2.73648 2.74594 2.75485 2.76277 2.77057 2.78533 2.78805 2.79974 2.80729 2.82635 2.83719 2.86006 2.86900 2.89157 2.91116 2.91519 2.92067 2.92220 2.94517 2.95005 2.95853 2.98008 2.98091 2.99460 3.01494 3.01914 3.02091 3.03347 3.04842 3.04862 3.05260 3.06014 3.06853 3.06938 3.08111 3.10470 3.10547 3.15142 3.15365 3.16609 3.18355 3.19015 3.19846 3.21402 3.21797 3.22200 3.24973 3.27302 3.28216 3.28517 3.29488 3.31380 3.32544 3.32855 3.34649 3.35002 3.36872 3.38184 3.39407 3.40764 3.42872 3.43342 3.43915 3.44449 3.49471 3.49920 3.52294 3.52578 3.52837 3.54647 3.55084 3.55100 3.55456 3.57835 3.59463 3.60060 3.60487 3.61871 3.63194 3.64443 3.71353 3.72037 3.72519 3.75553 3.76684 3.79052 3.79960 3.81722 3.81916 3.84151 3.89609 3.89964 3.91190 3.94148 3.96713 3.97576 4.00255 4.01894 4.02334 4.08243 4.10968 4.12054 4.14104 4.15773 4.17697 4.19105 4.21456 4.23152 4.24062 4.26417 4.27653 4.27765 4.29454 4.30312 4.30794 4.32827 4.34754 4.35782 4.38709 4.42330 4.43394 4.44131 4.47843 4.49721 4.53367 4.57125 4.58101 4.58289 4.61938 4.66245 4.68381 4.75780 4.77051 4.79294 4.89013 4.91626 5.03300 5.05219 5.08202 5.16794 5.22447 5.25135 5.28079 5.35658 5.44315 5.57718 5.65807 5.67130 5.77005 6.10158 6.14597 6.19015 6.23108 6.23425 6.24642 6.28250 6.30446 6.36125 6.42579 6.48501 6.49434 6.49823 6.50331 6.50605 6.50882 6.51052 6.52281 6.53553 6.54357 6.55741 6.57294 6.60034 6.62272 6.62689 6.63318 6.64297 6.66394 6.68375 6.68851 6.70224 6.70948 6.76203 6.79256 6.83154 6.86858 6.87903 6.94174 6.95230 6.98309 7.04385 7.05176 7.08769 7.25657 7.30282 7.37642 7.40929 7.53051 7.54764 7.62328 7.71307 7.78949 8.85894 8.88314 8.88708 8.90364 8.93650 8.96628 8.98170 8.98774 8.99476 9.01843 9.20045 9.26187 9.26593 9.27642 9.35211 9.39479 9.48317 9.48872 9.51956 9.61429 9.67320 9.75045 9.76105 9.79684 9.88537 22.77257 23.06640 23.41789 23.44282 23.46228 23.58419 23.61067 23.69031 23.93230 24.04939 63.56887 63.60683 63.61635 63.63252 63.67152 1-A'. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 C C C C C C C C C C F F F F F H H H -0.035316 0.253799 0.253233 -0.347240 -0.233546 0.225476 0.294767 -0.316998 -0.017241 0.130101 -0.212266 -0.183646 -0.211593 -0.154547 -0.173675 0.214872 0.228108 0.285714 -0.00000 1-A'. 1.9688 -0.8107 0.0000 2.1291 -89.4215 -81.0059 -80.6727 -1.4931 0.0000 0.0000 -5.7215 2.6941 3.0273 -1.4931 0.0000 0.0000 -29.5890 7.7173 0.0000 20.0915 5.5880 0.0000 -12.6314 3.4848 0.0000 0.0000 -2215.5305 -1317.4664 -78.0150 -290.2414 0.0000 -265.8174 0.0000 0.0000 0.0000 -536.7625 -344.9447 -229.6953 0.0000 0.0000 -83.5363 (A")|(A")|(A")|(A')|(A')|(A')|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A')|(A')|(A")|(A')|(A')|(A')|(A')|(A')|(A")|(A')|(A')|(A')|(A")|(A')|(A')|(A')|(A')|(A')|(A')|(A")|(A')|(A")|(A")|(A")|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A')|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A')|(A')|(A')|(A")|(A')|(A')|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A')|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A")|(A")|(A')|(A")|(A')|(A')|(A')|(A")|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A')|(A')|(A')|(A")|(A')|(A')|(A')|(A')|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A")|(A")|(A")|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A')|(A")|(A')|(A')|(A')|(A')|(A')|(A")|(A")|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A")|(A")|(A")|(A")|(A")|(A')|(A')|(A')|(A')|(A")|(A")|(A")|(A')|(A")|(A")|(A')|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A')|(A")|(A')|(A')|(A')|(A')|(A')|(A")|(A")|(A")|(A")|(A')|(A')|(A")|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A")|(A")|(A")|(A")|(A")|(A')|(A')|(A')|(A')|(A')|(A")|(A")|(A")|(A")|(A")|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A') (A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(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-AMD13 OCHARAPALE 2025-12-14T00:00:00.000 0 5F_isomer_51 opt 0 1 Version=ES64L-G16RevC.02 State=1-A' HF=-881.5055042 RMSD=8.653e-09 Dipole=0.545165,-0.6359866,0. Quadrupole=-3.8611761,1.610416,2.2507601,1.8800317,0.,0. PG=CS [SG(C10H3F5)] 0 0.363594 -0.968193 0. 0 0.224427 0.440147 0. 0 -1.073344 0.983702 0. 0 1.647162 -1.543315 0. 0 -0.785439 -1.778928 0. 0 1.401574 1.212916 0. 0 -2.168383 0.182681 0. 0 2.730904 -0.735507 0. 0 -2.009779 -1.208269 0. 0 2.635528 0.656475 0. 0 -1.257091 2.282346 0. 0 1.30526 2.525791 0. 0 -3.376043 0.694891 0. 0 3.94293 -1.259832 0. 0 -3.102125 -1.938337 0. 0 1.76822 -2.61398 0. 0 -0.700365 -2.853225 0. 0 3.518298 1.273215 0.