Gaussian 16 14-Dec-2025 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 18 18 42 42 468 (5D, 7F) CBSB3** 33 CS[SG(C10H6F2)] RMN15 6-311G(2df,2p) SP #P MN15/6-311G(2df,2p) sp IOP(3/5=12) 158.1038064 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:18nC0C0C0C0C0C0C0C0C0C0F0F0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;/rC:-.063,.8689,0;.3882,-.4686,0;-.5427,-1.5231,0;.8798,1.9152,0;-1.449,1.1135,0;1.7752,-.6883,0;-1.8757,-1.2633,0;2.211,1.6427,0;-2.306,.0668,0;2.6779,.319,0;2.1966,-1.9452,0;-3.612,.2892,0;-.1845,-2.5395,0;.529,2.9356,0;-1.8292,2.1227,0;-2.6099,-2.0526,0;2.9271,2.4495,0;3.7315,.0923,0; /prod/precompiled/gaussian/16c2/g16/g16 /prod/precompiled/gaussian/16c2/g16/l1.exe "/data/udgqfd/ocharapale/fluronapthalene/sp/2F_isomer_6_tmp/Gau-562929.inp" -scrdir="/data/udgqfd/ocharapale/fluronapthalene/sp/2F_isomer_6_tmp/" nproc=32 mem = 60GB chk=2F_isomer_6.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 2F_isomer_6 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 1 1 1 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 1.0078250 1.0078250 1.0078250 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 372 156 A' A" 324 144 A' A" 696 528 647.3748970199 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= 468 RedAO= T EigKep= 1.27D-06 NBF= 324 144 NBsUse= 466 1.00D-06 EigRej= 5.65D-07 NBFU= 322 144 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 158.1038064 AuxInfo=1/0/N:1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18/rA:18nC0C0C0C0C0C0C0C0C0C0F0F0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;/rC:-.063,.8689,0;.3883,-.4686,0;-.5427,-1.5231,0;.8798,1.9152,0;-1.449,1.1135,0;1.7752,-.6883,0;-1.8757,-1.2633,0;2.211,1.6427,0;-2.306,.0668,0;2.6779,.319,0;2.1966,-1.9452,0;-3.612,.2892,0;-.1845,-2.5395,0;.529,2.9356,0;-1.8292,2.1227,0;-2.6099,-2.0525,0;2.9271,2.4495,0;3.7315,.0923,0; 0.000000 1.411595 0.000000 2.439679 1.406689 0.000000 1.408436 2.433960 3.721001 0.000000 1.407378 2.424537 2.788001 2.462971 0.000000 2.409143 1.404222 2.463657 2.753173 3.693465 0.000000 2.798603 2.399364 1.358024 4.206648 2.414787 3.695853 0.000000 2.402040 2.789232 4.195863 1.358757 3.698036 2.371383 5.014538 0.000000 2.382062 2.746926 2.374252 3.683194 1.352725 4.150439 1.398039 4.783958 0.000000 2.795566 2.421352 3.710275 2.404357 4.202688 1.352658 4.820691 1.403604 4.990287 0.000000 3.609087 2.334674 2.771693 4.078840 4.758804 1.325693 4.129002 3.587938 4.931735 2.314839 0.000000 3.596026 4.071424 3.564441 4.777083 2.314742 5.475172 2.329245 5.978221 1.324836 6.290016 6.223611 0.000000 3.410560 2.148627 1.077625 4.580066 3.865602 2.695767 2.118626 4.819623 3.360584 4.045309 2.454174 4.444037 0.000000 2.149786 3.407087 4.585710 1.079008 2.689341 3.832182 4.838727 2.121481 4.033215 3.385897 5.157846 4.914381 5.521354 0.000000 2.165896 3.410508 3.866110 2.716917 1.078439 4.570870 3.386326 4.068544 2.110416 4.854574 5.723183 2.557366 4.943734 2.494325 0.000000 3.875780 3.390870 2.133921 5.284076 3.372141 4.592420 1.077958 6.074195 2.141056 5.795323 4.807770 2.547171 2.473826 5.893574 4.247590 0.000000 3.382157 3.867931 5.274592 2.115830 4.575489 3.342555 6.070545 1.078773 5.749969 2.144978 4.455002 6.886704 5.879774 2.446875 4.767461 7.136307 0.000000 3.873219 3.390014 4.569359 3.384545 5.280214 2.106357 5.768759 2.171571 6.037579 1.077728 2.550987 7.346199 4.718237 4.282576 5.919765 6.694379 2.490650 0.000000 C10H6F2 CS 2 CS 2 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 158.1038064 AuxInfo=1/0/N:1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18/rA:18nC0C0C0C0C0C0C0C0C0C0F0F0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;/rC:.5058,-.7093,0;0,.6085,0;-1.3897,.8266,0;1.8994,-.9134,0;-.4054,-1.7819,0;.9278,1.6626,0;-2.2503,-.2239,0;2.7506,.1457,0;-1.7331,-1.5227,0;2.2656,1.4629,0;.4504,2.8994,0;-2.5969,-2.5272,0;-1.7623,1.8378,0;2.2802,-1.923,0;-.0543,-2.8015,0;-3.3193,-.0846,0;3.8167,-.0187,0;2.9323,2.3096,0; 1.9460894 0.7202161 0.5256731 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= 528 528 528 528 528 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') Closed 1 1 1 -583.675092927913 -583.791141529068 -0.116048601154 -583.897503428210 -0.106361899142 -583.915021302064 -0.017517873855 -583.918795480868 -0.003774178804 -583.918922325264 -0.000126844396 -583.918940266099 -0.000017940836 -583.918941073679 -0.000000807580 -583.918941368298 -0.000000294619 -583.918941385653 -0.000000017355 -583.918941391755 -0.000000006102 -583.918941392167 -0.000000000412 -583.918941392244 -0.000000000077 -583.918941392236 0.000000000008 -583.918941392 14 5.826139752062e+02 -2.664151733905e+03 8.502439202870e+02 Using DIIS extrapolation, IDIIS= 1040. NGot= 8053063680 LenX= 8052483214 LenY= 8052203902 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. PT680.900S 2025-12-14T22:17:03.000 -24.28237 -24.27987 -10.13491 -10.13455 -10.06981 -10.06337 -10.06131 -10.05636 -10.05618 -10.05286 -10.04978 -10.04924 -1.27989 -1.27798 -0.94766 -0.89248 -0.83622 -0.80630 -0.78366 -0.69794 -0.68869 -0.66613 -0.61714 -0.59596 -0.59011 -0.55752 -0.54514 -0.53997 -0.53001 -0.51863 -0.49277 -0.48210 -0.46365 -0.45753 -0.44980 -0.43041 -0.40659 -0.39121 -0.38510 -0.33698 -0.29426 -0.26310 -0.03429 -0.00677 0.03311 0.03479 0.04227 0.04866 0.06125 0.06760 0.07772 0.08831 0.09650 0.10640 0.10824 0.11429 0.11589 0.12854 0.13196 0.13808 0.14095 0.14967 0.15032 0.15438 0.16252 0.16439 0.16734 0.17196 0.17390 0.18249 0.18650 0.19581 0.19932 0.20376 0.20721 0.20923 0.21922 0.22018 0.24078 0.24348 0.24755 0.24885 0.25993 0.26143 0.26670 0.27001 0.27446 0.28925 0.29845 0.29991 0.31029 0.31221 0.31712 0.31909 0.32904 0.33726 0.34215 0.34465 0.35460 0.36314 0.36585 0.37422 0.37852 0.39359 0.39792 0.40544 0.41773 0.42044 0.44020 0.44439 0.46095 0.46719 0.48526 0.48665 0.49785 0.51774 0.51927 0.53309 0.54408 0.55231 0.55424 0.56702 0.57084 0.58389 0.58843 0.60385 0.60875 0.61021 0.61330 0.62028 0.63373 0.63628 0.64129 0.64433 0.65131 0.65549 0.67799 0.68832 0.69308 0.70192 0.71332 0.71750 0.72282 0.73894 0.74685 0.75250 0.76407 0.76460 0.77432 0.78544 0.79115 0.79794 0.80203 0.81375 0.81385 0.82585 0.83718 0.84477 0.85721 0.86857 0.87070 0.88266 0.89834 0.91308 0.93181 0.93649 0.96355 0.99783 1.01489 1.02034 1.04349 1.05174 1.06061 1.06716 1.08265 1.09293 1.09339 1.12410 1.13986 1.14554 1.16284 1.18082 1.21230 1.21980 1.22845 1.24103 1.25912 1.26255 1.27480 1.29315 1.29980 1.31737 1.32208 1.33348 1.33734 1.34106 1.35503 1.36198 1.37988 1.38073 1.39549 1.41575 1.41956 1.42695 1.43467 1.44958 1.45518 1.46394 1.47954 1.48162 1.48765 1.49954 1.52405 1.55219 1.59382 1.60242 1.65601 1.66079 1.67654 1.68376 1.69999 1.70804 1.70899 1.75184 1.77661 1.78366 1.79148 1.81885 1.86384 1.87977 1.90488 1.93204 1.95295 1.97110 1.99660 2.05346 2.10681 2.11310 2.12586 2.19542 2.22483 2.23701 2.25780 2.26942 2.34879 2.41242 2.41552 2.45786 2.51966 2.54153 2.55064 2.56063 2.58373 2.59973 2.60176 2.63909 2.64337 2.66176 2.66577 2.66740 2.67983 2.68699 2.69480 2.70770 2.70911 2.72358 2.72854 2.73460 2.75054 2.75577 2.76276 2.76832 2.77171 2.78160 2.79245 2.79850 2.80833 2.81638 2.82705 2.83986 2.84687 2.87681 2.89375 2.91134 2.92731 2.94918 2.95714 2.96074 2.98138 2.98394 3.01409 3.01889 3.02126 3.03452 3.03683 3.05357 3.06874 3.07154 3.07187 3.07917 3.09045 3.10189 3.12463 3.13576 3.14798 3.16648 3.16972 3.18627 3.19978 3.21012 3.22467 3.24146 3.25144 3.27352 3.28009 3.28793 3.30288 3.30903 3.31618 3.33574 3.33868 3.34835 3.35104 3.36070 3.37472 3.38071 3.38180 3.42545 3.45049 3.46377 3.48050 3.49377 3.52483 3.53591 3.54373 3.54810 3.55546 3.55682 3.56805 3.58576 3.62820 3.63451 3.63659 3.66621 3.67065 3.67867 3.69082 3.70692 3.71062 3.73804 3.74248 3.78832 3.79815 3.81999 3.83238 3.83812 3.86091 3.88313 3.89319 3.94560 3.95556 3.99880 3.99941 4.00772 4.03139 4.03802 4.06210 4.11581 4.12926 4.13029 4.17573 4.17912 4.19158 4.22569 4.22994 4.25111 4.26950 4.27013 4.27810 4.28888 4.30805 4.32868 4.33326 4.35694 4.36323 4.36485 4.40873 4.41259 4.44387 4.44950 4.45950 4.47657 4.50335 4.51690 4.56404 4.61140 4.61919 4.64192 4.67526 4.71046 4.76806 4.81415 4.83122 4.84375 4.91354 4.95360 5.03727 5.06936 5.08008 5.15398 5.21600 5.24002 5.33213 5.39054 5.45230 5.48365 5.58836 5.63315 5.68175 5.75398 5.87414 5.94627 6.22236 6.24206 6.25328 6.26353 6.45116 6.49469 6.51814 6.52099 6.55815 6.57064 6.64331 6.64691 6.69739 6.70393 6.84204 6.87440 6.96409 6.96710 7.30617 7.37150 7.55799 7.56657 8.90550 8.90797 8.99043 9.01001 9.27582 9.27865 9.49284 9.51340 9.76843 9.80108 22.73862 23.02810 23.39223 23.40549 23.45532 23.57647 23.61272 23.67693 23.93167 24.05579 63.62099 63.63770 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 H H H H H H 0.093225 0.331875 -0.054945 -0.375889 -0.177709 -0.013566 -0.093339 -0.343087 -0.270721 -0.109061 -0.195923 -0.162156 0.221235 0.184307 0.215430 0.258663 0.240124 0.251537 -0.00000 1-A'. 1.2093 -0.1032 -0.0000 1.2137 -60.7719 -69.6011 -70.6049 -4.3222 0.0000 0.0000 6.2208 -2.6085 -3.6123 -4.3222 0.0000 0.0000 1.3257 -6.7037 0.0000 10.4917 19.3079 -0.0000 -8.5030 1.5179 -0.0000 -0.0000 -1209.8472 -1037.3040 -76.5666 -227.9483 0.0000 -245.8706 0.0000 0.0000 0.0000 -392.9067 -250.5738 -183.7260 0.0000 0.0000 -68.9052 (A")|(A")|(A')|(A")|(A')|(A')|(A')|(A')|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A')|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A")|(A')|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A')|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A')|(A')|(A')|(A')|(A")|(A')|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A')|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A')|(A')|(A")|(A')|(A')|(A')|(A")|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A")|(A')|(A')|(A")|(A")|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A")|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A')|(A")|(A")|(A')|(A')|(A')|(A")|(A')|(A')|(A')|(A')|(A')|(A")|(A')|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A")|(A")|(A')|(A')|(A")|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A')|(A')|(A')|(A")|(A")|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A")|(A")|(A')|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A")|(A')|(A')|(A')|(A')|(A")|(A")|(A')|(A')|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A")|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A') (A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(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-AMD14 OCHARAPALE 2025-12-14T00:00:00.000 0 2F_isomer_6 opt 0 1 Version=ES64L-G16RevC.02 State=1-A' HF=-583.9189414 RMSD=7.022e-09 Dipole=0.3404766,0.3348039,0. Quadrupole=-1.2043852,3.8900327,-2.6856475,3.8223553,0.,0. PG=CS [SG(C10H6F2)] 0 -0.063028 0.868913 0. 0 0.388251 -0.468602 0. 0 -0.542727 -1.523141 0. 0 0.879827 1.9152 0. 0 -1.448998 1.113452 0. 0 1.775177 -0.688319 0. 0 -1.875669 -1.263342 0. 0 2.210974 1.642676 0. 0 -2.305988 0.066823 0. 0 2.677922 0.319021 0. 0 2.196638 -1.945233 0. 0 -3.612023 0.289223 0. 0 -0.184504 -2.539483 0. 0 0.528985 2.935577 0. 0 -1.829157 2.122665 0. 0 -2.609934 -2.052549 0. 0 2.927089 2.449478 0. 0 3.731537 0.092319 0.