Gaussian 16 14-Dec-2025 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 18 18 62 62 588 (5D, 7F) CBSB3** 33 CS[SG(C10HF7)] RMN15 6-311G(2df,2p) SP #P MN15/6-311G(2df,2p) sp IOP(3/5=12) 253.09582239999992 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:18nC0C0C0C0C0C0C0C0C0C0F0F0F0F0F0F0F0H0/rB:;;;;;;;;;;;;;;;;;/rC:.3478,-.5659,0;.074,.8264,0;-1.2655,1.255,0;1.6878,-.9939,0;-.7347,-1.4633,0;1.168,1.7128,0;-2.2832,.3597,0;2.6978,-.0892,0;-2.0135,-1.0121,0;2.4491,1.2807,0;-1.563,2.5323,0;1.98,-2.2751,0;-.5342,-2.7603,0;.9419,3.0094,0;-3.5305,.7561,0;3.9432,-.5073,0;-3.0187,-1.8485,0;3.2676,1.9809,0; /prod/precompiled/gaussian/16c2/g16/g16 /prod/precompiled/gaussian/16c2/g16/l1.exe "/data/udgqfd/ocharapale/fluronapthalene/sp/7F_isomer_75_tmp/Gau-3467.inp" -scrdir="/data/udgqfd/ocharapale/fluronapthalene/sp/7F_isomer_75_tmp/" nproc=32 mem = 60GB chk=7F_isomer_75.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 7F_isomer_75 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 19 19 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 18.9984032 18.9984032 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 467 206 A' A" 399 189 A' A" 896 673 1260.9225178789 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= 588 RedAO= T EigKep= 1.27D-06 NBF= 399 189 NBsUse= 586 1.00D-06 EigRej= 5.78D-07 NBFU= 397 189 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 253.09582239999992 AuxInfo=1/0/N:1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18/rA:18nC0C0C0C0C0C0C0C0C0C0F0F0F0F0F0F0F0H0/rB:;;;;;;;;;;;;;;;;;/rC:.3478,-.5659,0;.074,.8264,0;-1.2655,1.255,0;1.6878,-.9939,0;-.7347,-1.4633,0;1.168,1.7128,0;-2.2832,.3597,0;2.6978,-.0892,0;-2.0135,-1.0121,0;2.4491,1.2807,0;-1.563,2.5323,0;1.98,-2.2751,0;-.5342,-2.7603,0;.9419,3.0094,0;-3.5305,.7561,0;3.9432,-.5074,0;-3.0187,-1.8485,0;3.2676,1.9809,0; 0.000000 1.418943 0.000000 2.432749 1.406405 0.000000 1.406737 2.432669 3.712093 0.000000 1.406102 2.428312 2.769625 2.467585 0.000000 2.421791 1.408014 2.476189 2.756143 3.702397 0.000000 2.789055 2.402932 1.355393 4.195394 2.391938 3.706928 0.000000 2.397885 2.778969 4.185056 1.355928 3.697334 2.363782 5.001188 0.000000 2.403087 2.781690 2.387302 3.701383 1.356073 4.188914 1.398124 4.800865 0.000000 2.797382 2.418154 3.714696 2.398591 4.203097 1.352013 4.821061 1.392275 5.017149 0.000000 3.640060 2.364310 1.311545 4.796048 4.080595 2.851290 2.288853 5.002673 3.572977 4.202781 0.000000 2.363402 3.640352 4.795315 1.314081 2.833542 4.069694 5.011757 2.300688 4.188530 3.586550 5.971968 0.000000 2.365039 3.637910 4.081353 2.838595 1.312421 4.786026 3.576850 4.192937 2.290111 5.022919 5.391723 2.560667 0.000000 3.624382 2.349274 2.819743 4.072257 4.776683 1.316245 4.173997 3.561582 4.990755 2.293531 2.549924 5.385541 5.955611 0.000000 4.097401 3.605162 2.319247 5.503941 3.569645 4.794867 1.308763 6.285392 2.329796 6.002537 2.650648 6.289236 4.619880 5.007966 0.000000 3.595945 4.092663 5.498808 2.307313 4.774633 3.554001 6.286522 1.313756 5.978112 2.330119 6.289521 2.641776 5.012334 4.623397 7.579775 0.000000 3.602532 4.088991 3.564454 4.783472 2.316240 5.496464 2.327541 5.981093 1.307650 6.299884 4.616394 5.016922 2.646518 6.267885 2.654481 7.089945 0.000000 3.874449 3.395864 4.590855 3.368233 5.280227 2.116649 5.782666 2.147069 6.070264 1.077135 4.861940 4.446442 6.077220 2.542979 6.907512 2.578314 7.360816 0.000000 C10HF7 CS 2 CS 2 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 253.09582239999992 AuxInfo=1/0/N:1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18/rA:18nC0C0C0C0C0C0C0C0C0C0F0F0F0F0F0F0F0H0/rB:;;;;;;;;;;;;;;;;;/rC:0,.6642,0;-.4957,-.6653,0;.4212,-1.7318,0;-.9176,1.7305,0;1.3921,.8621,0;-1.8918,-.8478,0;1.7569,-1.5019,0;-2.2518,1.4885,0;2.2454,-.1919,0;-2.7571,.1911,0;.0059,-2.9758,0;-.4959,2.975,0;1.9003,2.0721,0;-2.3781,-2.0709,0;2.6121,-2.4926,0;-3.094,2.4967,0;3.5397,-.0055,0;-3.821,.0231,0; 0.6661297 0.4184744 0.2570138 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= 672 672 672 672 672 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")|(A")|(A")|(A')|(A")|(A')|(A')|(A')|(A')|(A')|(A')|(A")|(A")|(A")|(A")|(A")|(A")|(A")|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(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 -1079.72710834337 -1079.80398007882 -0.076871735449 -1079.85408409909 -0.050104020273 -1079.88231952113 -0.028235422041 -1079.88562659129 -0.003307070157 -1079.88569932245 -0.000072731155 -1079.88570774996 -0.000008427515 -1079.88570860271 -0.000000852751 -1079.88570880570 -0.000000202986 -1079.88570882522 -0.000000019524 -1079.88570883254 -0.000000007316 -1079.88570883311 -0.000000000571 -1079.88570883330 -0.000000000187 -1079.88570883326 0.000000000031 -1079.88570883332 -0.000000000051 -1079.88570883 15 1.078988718678e+03 -5.076680394770e+03 1.656883449380e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 8053063680 LenX= 8052129009 LenY= 8051675407 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. PT1116.300S 2025-12-14T22:25:14.000 -24.31812 -24.31678 -24.31038 -24.30923 -24.30865 -24.30483 -24.30469 -10.17207 -10.17148 -10.17039 -10.16989 -10.16954 -10.16498 -10.16309 -10.11292 -10.10880 -10.08327 -1.33106 -1.32069 -1.31659 -1.30995 -1.30490 -1.30027 -1.29615 -0.98736 -0.93148 -0.86319 -0.84800 -0.81745 -0.75362 -0.74266 -0.71269 -0.67467 -0.67131 -0.66645 -0.63839 -0.63095 -0.61992 -0.61766 -0.60971 -0.59823 -0.58782 -0.57982 -0.57907 -0.56454 -0.56116 -0.55571 -0.54607 -0.54278 -0.53157 -0.51630 -0.50510 -0.49995 -0.48694 -0.46517 -0.45880 -0.44591 -0.43410 -0.39277 -0.34861 -0.32138 -0.27641 -0.05360 -0.03640 0.01348 0.03122 0.03786 0.04919 0.06362 0.08235 0.08397 0.09609 0.09629 0.10619 0.11168 0.11715 0.11828 0.12376 0.12671 0.12878 0.13729 0.14830 0.15385 0.15454 0.15807 0.16420 0.16773 0.18074 0.18269 0.18801 0.19033 0.19934 0.20726 0.21448 0.21535 0.21708 0.23122 0.23631 0.24211 0.24536 0.24879 0.25556 0.26161 0.26661 0.28176 0.29045 0.29397 0.29700 0.30894 0.31237 0.31464 0.31800 0.31979 0.32369 0.33020 0.33217 0.34569 0.34635 0.35333 0.36115 0.36384 0.37381 0.37569 0.38766 0.39479 0.39812 0.40103 0.40344 0.40543 0.41546 0.41920 0.42657 0.42939 0.43553 0.43971 0.44555 0.45522 0.46429 0.47260 0.47482 0.47609 0.48150 0.49090 0.49110 0.50085 0.52947 0.53967 0.54674 0.54937 0.55100 0.55755 0.55944 0.56964 0.57411 0.57517 0.58445 0.58454 0.59551 0.60128 0.61685 0.61769 0.63194 0.65065 0.65434 0.66172 0.66542 0.67383 0.68135 0.70932 0.71825 0.72637 0.72867 0.73475 0.73604 0.75181 0.76102 0.76759 0.77070 0.78541 0.80004 0.80989 0.81990 0.82691 0.84271 0.85714 0.85822 0.87620 0.88347 0.89494 0.90363 0.91144 0.91507 0.94387 0.95520 0.98515 1.00957 1.01282 1.02369 1.04956 1.05937 1.06845 1.08043 1.08486 1.11417 1.12624 1.13005 1.14288 1.17232 1.19446 1.20476 1.20858 1.21839 1.22684 1.23985 1.24040 1.27066 1.29214 1.30490 1.33044 1.33506 1.34681 1.35843 1.36449 1.36775 1.37758 1.38524 1.38892 1.39157 1.41171 1.41542 1.41672 1.42910 1.44044 1.44630 1.44879 1.45263 1.46668 1.47097 1.48853 1.50890 1.51171 1.51918 1.52326 1.52433 1.54080 1.54499 1.56650 1.57225 1.57402 1.58565 1.60778 1.62719 1.63729 1.65242 1.67538 1.68536 1.71291 1.75267 1.77249 1.80106 1.82009 1.84526 1.85113 1.87863 1.91611 1.95290 1.96211 1.99496 2.00544 2.02570 2.02932 2.04209 2.05989 2.07236 2.07931 2.11192 2.12078 2.14425 2.18624 2.19202 2.20670 2.20972 2.23226 2.24825 2.26702 2.26761 2.28066 2.29273 2.30592 2.34868 2.37334 2.43080 2.43568 2.45898 2.47033 2.47435 2.47669 2.51751 2.52720 2.53738 2.54176 2.58522 2.59208 2.60347 2.63019 2.63587 2.64572 2.65692 2.66597 2.67561 2.69367 2.69426 2.70181 2.70263 2.70340 2.71691 2.72632 2.73023 2.73345 2.73661 2.75771 2.75948 2.78530 2.79899 2.81817 2.84893 2.85222 2.85657 2.87052 2.87855 2.88465 2.90059 2.91156 2.92991 2.94312 2.95001 2.95308 2.95507 2.98220 2.99533 2.99858 3.00485 3.01792 3.01949 3.02375 3.02981 3.03517 3.04581 3.05533 3.06035 3.06472 3.07465 3.08066 3.08904 3.12034 3.13868 3.14127 3.16244 3.16893 3.18807 3.20003 3.21098 3.22560 3.25233 3.26273 3.26471 3.26996 3.29264 3.29464 3.32315 3.33366 3.33565 3.38014 3.38056 3.38976 3.39994 3.40936 3.41201 3.42493 3.43486 3.44302 3.46113 3.48110 3.48711 3.50274 3.51296 3.51516 3.53053 3.54844 3.54883 3.55716 3.56264 3.58773 3.58881 3.61902 3.62134 3.65162 3.69760 3.71696 3.73726 3.74303 3.75357 3.76959 3.78514 3.79582 3.83276 3.86473 3.87051 3.89615 3.90521 3.94294 3.95402 3.97025 3.97252 4.00052 4.02139 4.05648 4.07822 4.09749 4.10641 4.15568 4.16980 4.20378 4.20902 4.23675 4.23781 4.23933 4.24890 4.25371 4.26994 4.28219 4.29481 4.31533 4.37936 4.38602 4.40517 4.41879 4.43889 4.46629 4.50078 4.51109 4.55632 4.57964 4.61056 4.62277 4.72804 4.74230 4.75423 4.81553 4.86040 4.87859 5.01230 5.03579 5.08399 5.14234 5.16631 5.19585 5.30022 5.30994 5.42835 5.59057 5.66701 6.03701 6.07710 6.17386 6.19880 6.21340 6.23324 6.24491 6.26746 6.26988 6.28850 6.31807 6.36030 6.39158 6.46602 6.48285 6.48799 6.49195 6.49217 6.49363 6.49640 6.50503 6.50543 6.50733 6.51405 6.51929 6.52743 6.53074 6.55574 6.55609 6.57093 6.58263 6.59369 6.59626 6.62308 6.62736 6.62824 6.64370 6.64780 6.67619 6.67677 6.69285 6.69829 6.70834 6.71157 6.73979 6.76392 6.77816 6.81583 6.86248 6.86960 6.88836 6.90427 6.95396 6.96705 6.99361 7.00246 7.04837 7.09274 7.11258 7.11583 7.19413 7.28407 7.35465 7.42575 7.43226 7.48134 7.53381 7.58589 7.61840 7.74825 7.82735 7.85642 8.84523 8.86264 8.86710 8.88319 8.88753 8.92120 8.94130 8.94743 8.96053 8.96986 8.98071 8.98706 9.01018 9.03214 9.18201 9.21320 9.23291 9.26170 9.29345 9.32436 9.36743 9.37141 9.41323 9.47902 9.48068 9.52715 9.58622 9.63873 9.65192 9.69321 9.74402 9.76097 9.80719 9.84463 9.92863 22.78001 23.08434 23.43386 23.45731 23.46376 23.56286 23.61826 23.69447 23.92913 24.04340 63.55076 63.58070 63.59950 63.62203 63.62797 63.65800 63.68924 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 F F H 0.029910 -0.035465 0.211893 0.045016 0.134550 0.230174 0.247802 -0.039051 0.254429 0.054155 -0.221349 -0.230470 -0.220423 -0.190783 -0.200273 -0.168416 -0.195552 0.293853 -0.00000 1-A'. -1.4126 -0.3229 0.0000 1.4490 -91.2274 -103.0653 -87.3757 0.4824 0.0000 0.0000 2.6621 -9.1759 6.5138 0.4824 0.0000 0.0000 -20.7037 -1.9426 0.0000 12.7304 -2.7233 0.0000 7.9341 -0.1668 0.0000 0.0000 -2152.5064 -1763.7267 -79.2214 231.1644 0.0000 224.1051 0.0000 0.0000 0.0000 -700.3268 -366.9344 -277.0788 0.0000 0.0000 64.6936 (A")|(A")|(A')|(A")|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A")|(A")|(A')|(A')|(A')|(A')|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A')|(A')|(A')|(A")|(A")|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A")|(A')|(A')|(A')|(A")|(A')|(A')|(A')|(A")|(A')|(A')|(A')|(A')|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A')|(A")|(A')|(A')|(A')|(A')|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A")|(A')|(A')|(A')|(A")|(A')|(A')|(A')|(A")|(A")|(A')|(A')|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A')|(A')|(A')|(A")|(A")|(A')|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A")|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A")|(A")|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A")|(A')|(A')|(A')|(A')|(A")|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A")|(A")|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A")|(A")|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A')|(A')|(A")|(A")|(A")|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A")|(A")|(A')|(A")|(A')|(A')|(A')|(A")|(A')|(A")|(A")|(A")|(A')|(A")|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A")|(A')|(A')|(A')|(A")|(A")|(A")|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A')|(A")|(A')|(A')|(A')|(A")|(A')|(A')|(A')|(A')|(A")|(A')|(A')|(A')|(A")|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A")|(A')|(A")|(A")|(A")|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A')|(A")|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A")|(A")|(A")|(A")|(A")|(A")|(A')|(A")|(A')|(A')|(A')|(A')|(A")|(A")|(A")|(A')|(A")|(A")|(A")|(A")|(A')|(A')|(A')|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A')|(A')|(A')|(A")|(A')|(A')|(A')|(A')|(A")|(A')|(A")|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A")|(A")|(A")|(A")|(A")|(A")|(A')|(A")|(A')|(A')|(A')|(A')|(A')|(A')|(A")|(A")|(A")|(A")|(A")|(A")|(A")|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A') (A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(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-AMD24 OCHARAPALE 2025-12-14T00:00:00.000 0 7F_isomer_75 opt 0 1 Version=ES64L-G16RevC.02 State=1-A' HF=-1079.8857088 RMSD=3.427e-09 Dipole=0.4069815,0.3991921,0. Quadrupole=-0.7532578,-4.0895656,4.8428234,4.0879625,0.,0. PG=CS [SG(C10H1F7)] 0 0.347754 -0.56591 0. 0 0.073974 0.82637 0. 0 -1.265535 1.25496 0. 0 1.687797 -0.99392 0. 0 -0.73473 -1.463324 0. 0 1.167967 1.712757 0. 0 -2.283215 0.35974 0. 0 2.69778 -0.089224 0. 0 -2.013541 -1.01213 0. 0 2.449072 1.280657 0. 0 -1.562996 2.532327 0. 0 1.980043 -2.275092 0. 0 -0.534226 -2.760339 0. 0 0.941894 3.009442 0. 0 -3.530504 0.756138 0. 0 3.943222 -0.507351 0. 0 -3.018713 -1.848538 0. 0 3.267568 1.98086 0.