Gaussian 16 14-Dec-2025 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 18 18 58 58 564 (5D, 7F) CBSB3** 17 C2V[C2(CC),SGV(C8H2F6)] RMN15 6-311G(2df,2p) SP #P MN15/6-311G(2df,2p) sp IOP(3/5=12) 234.09741919999993 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:18nC0C0C0C0C0C0C0C0C0C0F0F0F0F0F0F0H0H0/rB:;;;;;;;;;;;;;;;;;/rC:0,-.3445,0;0,1.0698,0;-1.2217,1.766,0;1.2387,-1.0112,0;1.2217,1.766,0;-1.2387,-1.0112,0;-2.3854,1.0805,0;2.406,-.3193,0;2.3854,1.0805,0;-2.406,-.3193,0;1.2929,-2.3218,0;-1.2929,-2.3218,0;-3.5437,1.7007,0;3.5566,-.9472,0;3.5437,1.7007,0;-3.5566,-.9472,0;-1.2397,2.8435,0;1.2397,2.8435,0; /prod/precompiled/gaussian/16c2/g16/g16 /prod/precompiled/gaussian/16c2/g16/l1.exe "/data/udgqfd/ocharapale/fluronapthalene/sp/6F_isomer_64_tmp/Gau-75965.inp" -scrdir="/data/udgqfd/ocharapale/fluronapthalene/sp/6F_isomer_64_tmp/" nproc=32 mem = 60GB chk=6F_isomer_64.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 6F_isomer_64 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 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 18.9984032 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 233 92 104 215 A1 A2 B1 B2 199 85 95 185 A1 A2 B1 B2 856 644 1112.8917145507 10 3.24e+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= 564 RedAO= T EigKep= 1.51D-06 NBF= 199 85 95 185 NBsUse= 562 1.00D-06 EigRej= 5.56D-07 NBFU= 198 85 95 184 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 234.09741919999993 AuxInfo=1/0/N:1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18/rA:18nC0C0C0C0C0C0C0C0C0C0F0F0F0F0F0F0H0H0/rB:;;;;;;;;;;;;;;;;;/rC:0,-.3445,0;0,1.0698,0;-1.2217,1.766,0;1.2387,-1.0112,0;1.2217,1.766,0;-1.2387,-1.0112,0;-2.3854,1.0805,0;2.406,-.3193,0;2.3854,1.0805,0;-2.406,-.3193,0;1.2929,-2.3218,0;-1.2929,-2.3218,0;-3.5437,1.7007,0;3.5565,-.9472,0;3.5437,1.7007,0;-3.5565,-.9472,0;-1.2397,2.8435,0;1.2397,2.8435,0; 0.000000 1.414319 0.000000 2.438608 1.406147 0.000000 1.406710 2.421770 3.710311 0.000000 2.438608 1.406147 2.443416 2.777254 0.000000 1.406710 2.421770 2.777254 2.477378 3.710311 0.000000 2.778630 2.385385 1.350521 4.184404 3.671616 2.385446 0.000000 2.406106 2.778175 4.184306 1.356955 2.398089 3.709763 4.991636 0.000000 2.778630 2.385385 3.671616 2.385446 1.350521 4.184404 4.770722 1.399987 0.000000 2.406106 2.778175 2.398089 3.709763 4.184306 1.356955 1.399987 4.811948 4.991636 0.000000 2.362447 3.629663 4.799283 1.311703 4.088404 2.850692 5.010531 2.291084 3.573447 4.206133 0.000000 2.362447 3.629663 4.088404 2.850692 4.799283 1.311703 3.573447 4.206133 5.010531 2.291084 2.585750 0.000000 4.091534 3.599389 2.322864 5.497782 4.765810 3.559165 1.313886 6.283203 5.961367 2.318376 6.290705 4.609441 0.000000 3.607253 4.088690 5.494835 2.318742 3.579519 4.795664 6.278387 1.310772 2.341695 5.995496 2.648337 5.040474 7.577906 0.000000 4.091534 3.599389 4.765810 3.559165 2.322864 5.497782 5.961367 2.318376 1.313886 6.283203 4.609441 6.290705 7.087312 2.648003 0.000000 3.607253 4.088690 3.579519 4.795664 5.494835 2.318742 2.341695 5.995496 6.278387 1.310772 5.040474 2.648337 2.648003 7.113096 7.577906 0.000000 3.420575 2.163988 1.077674 4.582706 2.686904 3.854726 2.102527 4.826385 4.030991 3.370981 5.752757 5.165583 2.571814 6.113375 4.917939 4.442694 0.000000 3.420575 2.163988 2.686904 3.854726 1.077674 4.582706 4.030991 3.370981 2.102527 4.826385 5.165583 5.752757 4.917939 4.442694 2.571814 6.113375 2.479346 0.000000 C10H2F6 C2V 4 C2V 4 C2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 234.09741919999993 AuxInfo=1/0/N:1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18/rA:18nC0C0C0C0C0C0C0C0C0C0F0F0F0F0F0F0H0H0/rB:;;;;;;;;;;;;;;;;;/rC:0,0,-.3445;0,0,1.0698;0,1.2217,1.766;0,-1.2387,-1.0112;0,-1.2217,1.766;0,1.2387,-1.0112;0,2.3854,1.0805;0,-2.406,-.3193;0,-2.3854,1.0805;0,2.406,-.3193;0,-1.2929,-2.3218;0,1.2929,-2.3218;0,3.5437,1.7007;0,-3.5565,-.9472;0,-3.5437,1.7007;0,3.5565,-.9472;0,1.2397,2.8435;0,-1.2397,2.8435; 0.9912890 0.3682147 0.2684856 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= 643 643 643 643 643 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 (A1)|(B2)|(A1)|(B2)|(A1)|(B2)|(A1)|(B2)|(A1)|(A1)|(B2)|(A1)|(B2)|(A1)|(B2)|(A1)|(A1)|(B2)|(A1)|(B2)|(A1)|(B2)|(A1)|(B2)|(A1)|(A1)|(B2)|(A1)|(B2)|(A1)|(B2)|(A1)|(B2)|(A1)|(B2)|(A1)|(A1)|(B2)|(B1)|(B2)|(B2)|(A2)|(B1)|(A1)|(A2)|(B1)|(A2)|(A1)|(B1)|(A1)|(B2)|(B2)|(A1)|(B2)|(A2)|(B1)|(B1)|(A2) (A2)|(B1)|(B1)|(A1)|(B2)|(A1)|(A2)|(A1)|(B2)|(A1)|(B1)|(A1)|(B2)|(B1)|(B2)|(A1)|(A2)|(B2)|(A1)|(B2)|(B1)|(A1)|(A1)|(A2)|(B1)|(A1)|(B2)|(B2)|(B1)|(A1)|(B2)|(B1)|(A1)|(A2)|(A1)|(B2)|(A1)|(A1)|(B2)|(A2)|(A1)|(B1)|(B2)|(B2)|(A1)|(B2)|(A1)|(A1)|(B2)|(B2)|(A1)|(A2)|(A1)|(B2)|(A1)|(A1)|(B2)|(B1)|(B2)|(A1)|(B2)|(A1)|(B2)|(B1)|(B2)|(A1)|(B2)|(A1)|(A2)|(A1)|(B2)|(B2)|(B1)|(A1)|(A2)|(A1)|(B2)|(A1)|(A1)|(B1)|(B2)|(A2)|(B2)|(B1)|(A1)|(A1)|(B2)|(A2)|(A1)|(B1)|(B2)|(A1)|(B2)|(B1)|(A1)|(A2)|(B2)|(B1)|(A1)|(A2)|(B2)|(B1)|(A2)|(B2)|(A1)|(A1)|(B2)|(B1)|(B1)|(A1)|(B2)|(A2)|(B2)|(A1)|(A2)|(A1)|(A1)|(B2)|(B2)|(A1)|(B1)|(B2)|(A2)|(A1)|(B1)|(A1)|(A2)|(B2)|(A1)|(B2)|(A1)|(B2)|(B1)|(B2)|(B1)|(A2)|(A1)|(A1)|(B2)|(B2)|(B2)|(A1)|(A1)|(A2)|(B1)|(A1)|(B2)|(A2)|(A1)|(B1)|(A1)|(B1)|(B2)|(B2)|(B2)|(A1)|(B2)|(A2)|(A1)|(A1)|(B2)|(B1)|(A2)|(A1)|(A2)|(B2)|(A1)|(B1)|(B2)|(B1)|(A1)|(A2)|(A1)|(B1)|(B2)|(A2)|(B2)|(A1)|(A1)|(B2)|(A1)|(B2)|(B2)|(A1)|(A2)|(B1)|(B2)|(B2)|(A1)|(A1)|(B2)|(A1)|(B2)|(A1)|(B2)|(B2)|(A1)|(A1)|(A1)|(B2)|(B2)|(A1)|(B1)|(A2)|(A1)|(B2)|(A2)|(B1)|(A1)|(B1)|(A2)|(B2)|(A2)|(B1)|(B2)|(A1)|(A1)|(B2)|(A1)|(B2)|(A2)|(B1)|(A1)|(B2)|(B1)|(A1)|(A2)|(B1)|(B2)|(B2)|(B1)|(A2)|(A1)|(A1)|(B1)|(B2)|(A1)|(B2)|(A2)|(A1)|(B2)|(A1)|(B1)|(B2)|(A2)|(B1)|(A2)|(B2)|(B1)|(A1)|(A2)|(A1)|(B1)|(B2)|(A1)|(B1)|(A2)|(B1)|(B2)|(A2)|(A1)|(A1)|(B2)|(A2)|(B1)|(A2)|(B1)|(B2)|(A1)|(B1)|(A1)|(B2)|(B1)|(A1)|(B2)|(A2)|(A1)|(A2)|(B2)|(A1)|(A2)|(B2)|(A1)|(B1)|(A1)|(B2)|(B1)|(B2)|(A1)|(B2)|(B1)|(A2)|(A1)|(B2)|(B2)|(A1)|(B2)|(A1)|(B1)|(A2)|(B2)|(A1)|(B1)|(A1)|(B2)|(A2)|(A1)|(B1)|(A1)|(A2)|(B2)|(A2)|(B1)|(A1)|(B2)|(B2)|(A1)|(B1)|(A2)|(B2)|(B1)|(A2)|(A1)|(A2)|(A1)|(B2)|(B1)|(A2)|(B1)|(B2)|(A1)|(B2)|(A2)|(A1)|(A1)|(B2)|(B1)|(A1)|(B2)|(B2)|(A1)|(B2)|(A2)|(B2)|(A1)|(B1)|(A1)|(B2)|(A1)|(B2)|(A2)|(A1)|(B2)|(B1)|(A1)|(A1)|(B2)|(B1)|(A1)|(B1)|(A2)|(A2)|(B2)|(A2)|(A1)|(B1)|(B2)|(B2)|(A1)|(B1)|(A1)|(A2)|(B2)|(A1)|(B2)|(B1)|(B2)|(A1)|(A1)|(A2)|(B2)|(B1)|(A1)|(B2)|(B2)|(A1)|(A1)|(A1)|(B2)|(A1)|(B2)|(A1)|(B2)|(A1)|(B2)|(B2)|(A1)|(B2)|(A2)|(B1)|(B1)|(A2)|(B1)|(A1)|(A2)|(B2)|(A1)|(B2)|(A2)|(B1)|(A2)|(B1)|(A1)|(B2)|(B1)|(A2)|(A1)|(B2)|(A1)|(B2)|(A2)|(B1)|(A1)|(A1)|(B2)|(A2)|(B1)|(A1)|(B2)|(B2)|(A1)|(A2)|(B2)|(B1)|(A1)|(B2)|(A1)|(B2)|(A2)|(B1)|(A2)|(B1)|(A1)|(A1)|(B2)|(B2)|(A2)|(B1)|(A1)|(B2)|(A1)|(B2)|(A1)|(B2)|(A1)|(B2)|(A1)|(B2)|(B1)|(A2)|(A2)|(B1)|(A2)|(B1)|(B2)|(A1)|(A1)|(B2)|(A1)|(B2)|(B1)|(A2)|(B1)|(A2)|(B1)|(A2)|(B2)|(A1)|(A1)|(B2)|(A1)|(B2)|(A1)|(B2)|(A1)|(B2)|(A1)|(B2)|(A1)|(B2)|(A1)|(B2)|(A1)|(A1)|(B2)|(A1)|(B2)|(A1)|(B2)|(A1)|(B2)|(A1)|(B2)|(A1) Closed 1 1 1 -980.489900317538 -980.573509297529 -0.083608979991 -980.634115034237 -0.060605736709 -980.689398335448 -0.055283301211 -980.694031585263 -0.004633249815 -980.694101298141 -0.000069712877 -980.694121474951 -0.000020176811 -980.694122978692 -0.000001503740 -980.694123166279 -0.000000187587 -980.694123180782 -0.000000014504 -980.694123184539 -0.000000003757 -980.694123184820 -0.000000000280 -980.694123184833 -0.000000000014 -980.694123184845 -0.000000000012 -980.694123185 14 9.797203460574e+02 -4.543539002761e+03 1.470232818968e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 8053063680 LenX= 8052203874 LenY= 8051788494 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. PT575.800S 2025-12-14T22:18:09.000 -24.30903 -24.30903 -24.30728 -24.30728 -24.30684 -24.30684 -10.16749 -10.16747 -10.16385 -10.16383 -10.15998 -10.15997 -10.10127 -10.09871 -10.07698 -10.07696 -1.32237 -1.31980 -1.31025 -1.30561 -1.29712 -1.29431 -0.97994 -0.92322 -0.86403 -0.83360 -0.81423 -0.74000 -0.73400 -0.71148 -0.66308 -0.66190 -0.65871 -0.62642 -0.62162 -0.62134 -0.59970 -0.58986 -0.58333 -0.58295 -0.56527 -0.55745 -0.54764 -0.54391 -0.53946 -0.52776 -0.52373 -0.50586 -0.49919 -0.46888 -0.46406 -0.45119 -0.44631 -0.43303 -0.38571 -0.35525 -0.30630 -0.28003 -0.04960 -0.02271 0.01549 0.01823 0.03343 0.04465 0.06586 0.08058 0.08635 0.08665 0.11023 0.11230 0.11517 0.11535 0.11997 0.12077 0.12394 0.13216 0.13638 0.14092 0.15533 0.15723 0.15737 0.16283 0.16414 0.17936 0.18349 0.18526 0.19179 0.20256 0.20336 0.20469 0.20599 0.21995 0.22199 0.23556 0.23885 0.24188 0.24588 0.25346 0.26086 0.27044 0.27720 0.28260 0.29058 0.29363 0.29680 0.31100 0.31466 0.31662 0.32252 0.32298 0.32554 0.33229 0.33319 0.35165 0.35365 0.36156 0.36210 0.37580 0.38522 0.38567 0.39338 0.39521 0.40034 0.40825 0.42058 0.42243 0.42453 0.43051 0.43875 0.43980 0.44155 0.44975 0.45582 0.46896 0.47536 0.47948 0.49253 0.49888 0.50417 0.53151 0.53399 0.54109 0.55402 0.55450 0.55896 0.56389 0.56528 0.56934 0.57488 0.58968 0.59230 0.59529 0.59840 0.61341 0.61545 0.62798 0.63336 0.64505 0.64989 0.66352 0.66679 0.67628 0.70286 0.71223 0.72527 0.72655 0.73922 0.74474 0.74625 0.75215 0.76682 0.76997 0.77887 0.78664 0.79346 0.81039 0.83290 0.83318 0.83869 0.84818 0.86342 0.87272 0.88985 0.89071 0.91186 0.91293 0.92975 0.95810 0.98571 0.99429 1.02267 1.02367 1.03544 1.04006 1.04942 1.05184 1.06471 1.08464 1.11713 1.13354 1.13772 1.16208 1.17507 1.19084 1.20380 1.20501 1.21875 1.23200 1.25478 1.25794 1.26781 1.31040 1.31975 1.32027 1.34582 1.35400 1.35777 1.37180 1.37222 1.37422 1.37537 1.38935 1.39122 1.40434 1.41123 1.41417 1.42796 1.43650 1.44806 1.44841 1.45496 1.46895 1.48752 1.49286 1.50837 1.52632 1.53076 1.55012 1.56540 1.56973 1.57048 1.58574 1.58965 1.61221 1.62745 1.63474 1.65280 1.68917 1.68988 1.70593 1.71992 1.75855 1.76935 1.80349 1.81336 1.82768 1.88098 1.90777 1.94402 1.95673 1.97310 1.99382 2.02444 2.04020 2.04113 2.04874 2.08340 2.08684 2.09115 2.12689 2.19576 2.21045 2.21973 2.22046 2.23098 2.24616 2.27792 2.27858 2.30172 2.32245 2.37280 2.39359 2.40337 2.40450 2.40789 2.43179 2.46798 2.49797 2.53227 2.54913 2.56198 2.58517 2.59101 2.61348 2.61623 2.62422 2.62604 2.66184 2.66319 2.66561 2.68252 2.69234 2.70016 2.70415 2.71333 2.71769 2.72357 2.74146 2.74288 2.75603 2.76593 2.76946 2.78804 2.79235 2.80684 2.83038 2.84286 2.84412 2.86752 2.88253 2.89980 2.90727 2.91229 2.91655 2.91942 2.93721 2.95539 2.96562 2.97454 2.98920 2.99288 3.00513 3.01886 3.01927 3.03840 3.04258 3.04985 3.05662 3.05837 3.06430 3.06754 3.06873 3.07680 3.10159 3.13615 3.15241 3.16072 3.16766 3.18348 3.19493 3.21096 3.21110 3.24050 3.24477 3.26974 3.26987 3.27633 3.28061 3.31244 3.31869 3.34472 3.34845 3.36112 3.36885 3.38712 3.38893 3.39004 3.42411 3.42488 3.43525 3.43685 3.48154 3.48750 3.50390 3.50533 3.51060 3.53399 3.53985 3.54863 3.55994 3.56732 3.57769 3.59140 3.59561 3.59925 3.61680 3.63654 3.70288 3.70653 3.74304 3.74444 3.78634 3.79286 3.79962 3.80604 3.86355 3.88977 3.89322 3.90074 3.90189 3.90813 3.96120 3.98476 3.99162 4.00347 4.02985 4.04254 4.09917 4.10898 4.12780 4.16046 4.17038 4.19060 4.23234 4.24144 4.24777 4.25038 4.25691 4.26159 4.27273 4.28773 4.29786 4.32462 4.33287 4.35315 4.40426 4.41401 4.42382 4.46071 4.48807 4.52547 4.54615 4.56386 4.56622 4.60419 4.65233 4.69746 4.75931 4.76946 4.81423 4.88459 4.90505 5.02940 5.03209 5.04948 5.18352 5.19717 5.22830 5.30416 5.31070 5.44050 5.56753 5.66245 5.74657 6.09412 6.10341 6.18199 6.19236 6.22750 6.23945 6.27360 6.28417 6.28629 6.32126 6.36101 6.43119 6.49044 6.49084 6.49447 6.49502 6.50058 6.50297 6.50661 6.50710 6.51623 6.52872 6.52891 6.54507 6.56720 6.57202 6.58417 6.59404 6.60242 6.61939 6.62889 6.64480 6.64866 6.67517 6.67798 6.69338 6.69999 6.70323 6.75686 6.76033 6.78887 6.83181 6.87489 6.87685 6.94275 6.95146 6.99140 7.03574 7.06127 7.07600 7.08369 7.08632 7.26145 7.32278 7.38442 7.42275 7.53047 7.55263 7.60880 7.77175 7.78632 7.78843 8.85419 8.85631 8.87922 8.88001 8.92741 8.93758 8.96110 8.96364 8.97942 8.98404 8.99686 9.02108 9.19700 9.19718 9.25813 9.26729 9.33852 9.35779 9.39182 9.39191 9.48303 9.50961 9.59738 9.62537 9.66293 9.68027 9.74798 9.78323 9.83955 9.90168 22.78802 23.07772 23.43962 23.44008 23.46882 23.57943 23.61578 23.68994 23.92622 24.04931 63.56084 63.57099 63.60840 63.62129 63.66794 63.66819 1-A1. 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 H H 0.301051 -0.195632 -0.221458 0.254556 -0.221458 0.254556 -0.022104 0.303065 -0.022104 0.303065 -0.212260 -0.212260 -0.174061 -0.208590 -0.174061 -0.208590 0.228142 0.228142 -0.00000 1-A1. 0.0000 -0.0000 2.5247 2.5247 -84.0184 -99.3678 -85.4114 -0.0000 0.0000 -0.0000 5.5808 -9.7686 4.1878 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 5.3735 -0.0000 0.0000 -11.8138 -0.0000 0.0000 -12.5598 -0.0000 -78.6127 -2886.8537 -1035.1498 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -435.7511 -192.7877 -661.5083 0.0000 0.0000 -0.0000 (A2)|(B1)|(B1)|(A1)|(A1)|(B2)|(B2)|(A1)|(A1)|(B1)|(A2)|(B1)|(B2)|(A1)|(A1)|(A2)|(B2)|(A1)|(B2)|(A1)|(A2)|(B2)|(B1)|(A1)|(B2)|(B1)|(B2)|(A1)|(B1)|(A2)|(A1)|(A1)|(B2)|(B1)|(B2)|(A1)|(A2)|(A1)|(B1)|(B2)|(A1)|(B2)|(A1)|(B2)|(A1)|(B2)|(B2)|(A1)|(A1)|(A1)|(A2)|(B2)|(A1)|(A1)|(B2)|(B1)|(A1)|(B2)|(B2)|(A1)|(B2)|(B1)|(A1)|(B2)|(B2)|(A1)|(A2)|(B2)|(A1)|(A1)|(B2)|(A1)|(B1)|(A2)|(B2)|(A1)|(B2)|(A1)|(B2)|(B1)|(A2)|(B1)|(A1)|(A1)|(A2)|(B2)|(A1)|(B1)|(B2)|(B2)|(A1)|(B2)|(A1)|(B1)|(A2)|(B1)|(A1)|(A2)|(B2)|(A1)|(B1)|(B2)|(A2)|(B2)|(A1)|(B1)|(A1)|(B1)|(B2)|(A1)|(A2)|(B2)|(B2)|(A2)|(A1)|(A1)|(A1)|(B2)|(B2)|(A1)|(B1)|(B2)|(A2)|(A1)|(A1)|(B1)|(A2)|(B2)|(A1)|(B2)|(A1)|(B2)|(B1)|(B2)|(B1)|(A1)|(A2)|(A1)|(B2)|(B2)|(B2)|(A1)|(A1)|(A2)|(B1)|(A1)|(A2)|(B2)|(A1)|(B1)|(B1)|(A1)|(B2)|(B2)|(A1)|(B2)|(A2)|(B2)|(A1)|(B2)|(B1)|(A1)|(A2)|(A2)|(A1)|(B2)|(A1)|(B1)|(B2)|(B1)|(A1)|(A2)|(A1)|(B1)|(A2)|(B2)|(B2)|(A1)|(A1)|(B2)|(B2)|(B2)|(A1)|(A2)|(A1)|(B1)|(B2)|(B2)|(A1)|(B2)|(A1)|(A1)|(B2)|(A1)|(B2)|(B2)|(A1)|(A1)|(A1)|(B2)|(B2)|(A1)|(B1)|(A2)|(A1)|(B2)|(A2)|(B1)|(B1)|(A2)|(A1)|(B2)|(A2)|(B1)|(A1)|(B2)|(A1)|(B2)|(B2)|(A1)|(A2)|(B1)|(A1)|(B2)|(A1)|(B1)|(A2)|(B1)|(B2)|(B2)|(B1)|(A2)|(A1)|(A1)|(B2)|(A1)|(B1)|(A2)|(B2)|(B1)|(B2)|(A1)|(A1)|(A2)|(A2)|(B1)|(B2)|(B1)|(B2)|(A1)|(A2)|(A1)|(B1)|(B2)|(B1)|(A1)|(A2)|(A2)|(B2)|(B1)|(A1)|(A1)|(A2)|(B2)|(A2)|(B1)|(B1)|(B2)|(A1)|(B1)|(A1)|(B1)|(B2)|(A2)|(A1)|(B2)|(A2)|(A2)|(A1)|(A1)|(B2)|(A1)|(B1)|(B2)|(A1)|(B2)|(B1)|(A1)|(B2)|(B2)|(B1)|(A2)|(B2)|(A1)|(B2)|(A1)|(B2)|(B1)|(A1)|(A2)|(B1)|(B2)|(A2)|(A1)|(A1)|(B2)|(B1)|(A1)|(A2)|(A2)|(A1)|(B1)|(B2)|(A1)|(B2)|(B1)|(B2)|(A2)|(B1)|(A1)|(A2)|(B2)|(A2)|(A1)|(A1)|(B1)|(B2)|(A2)|(B1)|(B2)|(A1)|(B2)|(A2)|(A1)|(A1)|(B2)|(B1)|(A1)|(B2)|(A1)|(A2)|(B2)|(B2)|(B1)|(B2)|(A1)|(A1)|(A1)|(B2)|(B2)|(A2)|(A1)|(B1)|(B2)|(A1)|(B1)|(B2)|(A1)|(A2)|(B1)|(A1)|(A2)|(A2)|(B2)|(B1)|(A1)|(B2)|(B1)|(B2)|(A1)|(A2)|(A1)|(B2)|(A1)|(B2)|(B1)|(B2)|(A1)|(A1)|(A2)|(B1)|(B2)|(A1)|(B2)|(B2)|(A1)|(A1)|(A1)|(B2)|(A1)|(B2)|(A1)|(B2)|(A1)|(B2)|(B2)|(A1)|(B2)|(A2)|(B1)|(B1)|(A2)|(B1)|(A1)|(A2)|(B2)|(A1)|(B2)|(A2)|(B1)|(A2)|(B1)|(A1)|(B2)|(B1)|(A2)|(A1)|(A1)|(B2)|(B2)|(A2)|(B1)|(A1)|(A1)|(B2)|(A2)|(B1)|(B2)|(A1)|(B2)|(A1)|(A2)|(B2)|(B1)|(A1)|(B2)|(A1)|(B2)|(A2)|(B1)|(A2)|(B1)|(A1)|(A1)|(B2)|(B2)|(A2)|(B1)|(A1)|(B2)|(A1)|(B2)|(A1)|(B2)|(A1)|(B2)|(B2)|(A1)|(B1)|(A2)|(A2)|(B1)|(A2)|(B1)|(B2)|(A1)|(A1)|(B2)|(A1)|(B2)|(B1)|(A2)|(B1)|(A2)|(B1)|(A2)|(B2)|(A1)|(A1)|(B2)|(A1)|(B2)|(A1)|(B2)|(A1)|(B2)|(A1)|(B2)|(A1)|(B2)|(A1)|(B2)|(A1)|(A1)|(B2)|(A1)|(B2)|(A1)|(B2)|(A1)|(B2)|(A1)|(B2)|(A1) (A1)|(B2)|(A1)|(B2)|(A1)|(B2)|(B2)|(A1)|(B2)|(A1)|(B2)|(A1)|(A1)|(A1)|(B2)|(A1)|(A1)|(B2)|(A1)|(B2)|(A1)|(B2)|(A1)|(B2)|(A1)|(A1)|(B2)|(B2)|(A1)|(A1)|(B2)|(B2)|(A1)|(A1)|(A1)|(B2)|(B1)|(A2)|(A1)|(B2)|(B1)|(A2)|(B2)|(B1)|(A2)|(A1)|(B2)|(A1)|(B2)|(A1)|(B1)|(B2)|(A1)|(B2)|(A2)|(B1)|(B1)|(A2) GINC-AMD18 OCHARAPALE 2025-12-14T00:00:00.000 0 6F_isomer_64 opt 0 1 Version=ES64L-G16RevC.02 State=1-A1 HF=-980.6941232 RMSD=4.306e-09 Dipole=0.,0.9933034,0. Quadrupole=-7.2627212,3.1135267,4.1491946,0.,0.,0. PG=C02V [C2(C1C1),SGV(C8H2F6)] 0 0. -0.344542 0. 0 0. 1.069777 0. 0 -1.221708 1.765965 0. 0 1.238689 -1.011237 0. 0 1.221708 1.765965 0. 0 -1.238689 -1.011237 0. 0 -2.385361 1.080532 0. 0 2.405974 -0.319303 0. 0 2.385361 1.080532 0. 0 -2.405974 -0.319303 0. 0 1.292875 -2.32182 0. 0 -1.292875 -2.32182 0. 0 -3.543656 1.700733 0. 0 3.556548 -0.947239 0. 0 3.543656 1.700733 0. 0 -3.556548 -0.947239 0. 0 -1.239673 2.843489 0. 0 1.239673 2.843489 0.