Gaussian 16 14-Dec-2025 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 18 18 50 50 516 (5D, 7F) CBSB3** 33 CS[SG(C10H4F4)] RMN15 6-311G(2df,2p) SP #P MN15/6-311G(2df,2p) sp IOP(3/5=12) 196.10061279999996 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:18nC0C0C0C0C0C0C0C0C0C0F0F0F0F0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;/rC:-.3096,-1.0564,0;-.4202,.3499,0;.7631,1.1039,0;-1.4938,-1.8175,0;.9608,-1.6618,0;-1.6843,.9648,0;1.9821,.5103,0;-2.7125,-1.2183,0;2.0688,-.8894,0;-2.7843,.1776,0;.6889,2.4188,0;3.0827,1.2236,0;3.2749,-1.4175,0;-3.9863,.731,0;-1.4209,-2.8942,0;1.0617,-2.7351,0;-1.7777,2.0377,0;-3.6266,-1.7896,0; /prod/precompiled/gaussian/16c2/g16/g16 /prod/precompiled/gaussian/16c2/g16/l1.exe "/data/udgqfd/ocharapale/fluronapthalene/sp/4F_isomer_29_tmp/Gau-3542.inp" -scrdir="/data/udgqfd/ocharapale/fluronapthalene/sp/4F_isomer_29_tmp/" nproc=32 mem = 60GB chk=4F_isomer_29.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 4F_isomer_29 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 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 18.9984032 18.9984032 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 410 176 A' A" 354 162 A' A" 776 586 862.1117208443 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= 516 RedAO= T EigKep= 1.25D-06 NBF= 354 162 NBsUse= 514 1.00D-06 EigRej= 5.79D-07 NBFU= 352 162 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 196.10061279999996 AuxInfo=1/0/N:1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18/rA:18nC0C0C0C0C0C0C0C0C0C0F0F0F0F0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;/rC:-.3096,-1.0564,0;-.4202,.3499,0;.7631,1.1039,0;-1.4938,-1.8175,0;.9609,-1.6617,0;-1.6843,.9648,0;1.9821,.5103,0;-2.7125,-1.2183,0;2.0688,-.8894,0;-2.7843,.1775,0;.6889,2.4188,0;3.0827,1.2236,0;3.2749,-1.4175,0;-3.9863,.731,0;-1.4209,-2.8942,0;1.0617,-2.7351,0;-1.7777,2.0377,0;-3.6266,-1.7896,0; 0.000000 1.410661 0.000000 2.412032 1.403176 0.000000 1.407700 2.418687 3.691673 0.000000 1.407256 2.440073 2.772735 2.459606 0.000000 2.444393 1.405658 2.451322 2.788771 3.727621 0.000000 2.776034 2.407653 1.355828 4.183354 2.400140 3.694392 0.000000 2.408325 2.777307 4.179986 1.357986 3.699980 2.413075 5.002664 0.000000 2.384237 2.780477 2.382898 3.681523 1.350579 4.186095 1.402387 4.792557 0.000000 2.765281 2.370303 3.666337 2.376005 4.172387 1.352674 4.777934 1.397676 4.968959 0.000000 3.615813 2.347444 1.316944 4.765515 4.089579 2.783141 2.305360 4.979687 3.584452 4.133491 0.000000 4.087332 3.610250 2.322665 5.494809 3.581570 4.773971 1.311568 6.288621 2.343700 5.959479 2.675582 0.000000 3.602627 4.096056 3.559047 4.785474 2.326912 5.501691 2.321182 5.990682 1.316663 6.265599 4.626529 2.648140 0.000000 4.088176 3.586370 4.764017 3.564721 5.495400 2.313868 5.972441 2.328601 6.268158 1.323327 4.970479 7.086121 7.572392 0.000000 2.147673 3.394918 4.555789 1.079183 2.681771 3.867953 4.813646 2.115831 4.024616 3.360701 5.716570 6.102407 4.922564 4.441081 0.000000 2.167587 3.422485 3.850665 2.715290 1.078124 4.607564 3.373418 4.067576 2.102612 4.824436 5.167389 4.444807 2.575732 6.123432 2.487739 0.000000 3.424761 2.165964 2.706934 3.865617 4.602751 1.076980 4.058155 3.387508 4.833552 2.115032 2.495807 4.928062 6.121031 2.566203 4.944785 5.553556 0.000000 3.397103 3.854641 5.257589 2.132991 4.589259 3.370350 6.061931 1.078000 5.766127 2.139901 6.027755 7.354894 6.911560 2.546120 2.466832 4.782737 4.250489 0.000000 C10H4F4 CS 2 CS 2 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 196.10061279999996 AuxInfo=1/0/N:1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18/rA:18nC0C0C0C0C0C0C0C0C0C0F0F0F0F0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;/rC:-1.01,-.438,0;0,.5468,0;1.3367,.1199,0;-2.3526,-.0149,0;-.6623,-1.8017,0;-.3362,1.9117,0;1.6604,-1.1967,0;-2.6718,1.305,0;.6402,-2.159,0;-1.645,2.2533,0;2.2996,1.0182,0;2.9128,-1.5861,0;1.006,-3.4238,0;-1.9888,3.5312,0;-3.1334,-.7598,0;-1.4227,-2.566,0;.4286,2.6699,0;-3.6958,1.642,0; 1.4229948 0.4694797 0.3530125 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= 585 585 585 585 585 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') Closed 1 1 1 -782.083732041287 -782.184349446801 -0.100617405514 -782.269565024458 -0.085215577657 -782.304382834745 -0.034817810287 -782.309500517167 -0.005117682422 -782.309626836627 -0.000126319460 -782.309640941702 -0.000014105076 -782.309643215087 -0.000002273384 -782.309643396994 -0.000000181907 -782.309643407782 -0.000000010788 -782.309643411685 -0.000000003903 -782.309643411900 -0.000000000215 -782.309643411952 -0.000000000052 -782.309643411959 -0.000000000006 -782.309643412 14 7.811703676463e+02 -3.567904692017e+03 1.142312960115e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 8053063680 LenX= 8052351624 LenY= 8052007642 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. PT849.700S 2025-12-14T22:24:04.000 -24.30242 -24.30173 -24.29770 -24.28678 -10.15317 -10.15269 -10.15224 -10.14339 -10.08339 -10.08108 -10.07107 -10.06751 -10.06565 -10.06375 -1.31255 -1.29890 -1.28817 -1.28536 -0.96473 -0.90803 -0.85262 -0.81877 -0.80043 -0.72359 -0.71125 -0.68866 -0.64445 -0.63962 -0.63307 -0.60709 -0.58624 -0.57317 -0.56029 -0.55379 -0.55160 -0.54817 -0.53532 -0.52591 -0.50436 -0.50210 -0.48021 -0.46230 -0.45891 -0.44355 -0.43197 -0.40983 -0.38290 -0.35074 -0.29775 -0.27362 -0.04375 -0.01123 0.02127 0.02794 0.03610 0.04829 0.06166 0.07163 0.08248 0.09071 0.10374 0.10729 0.10853 0.11561 0.12129 0.12488 0.12699 0.13280 0.14434 0.14668 0.15251 0.15646 0.15705 0.16320 0.16427 0.16850 0.18529 0.18858 0.19179 0.19237 0.19760 0.20453 0.20603 0.21111 0.22570 0.22841 0.23980 0.24677 0.24707 0.25167 0.25242 0.25748 0.26128 0.27617 0.28613 0.29235 0.29844 0.30289 0.30902 0.31284 0.31665 0.32756 0.33182 0.33639 0.33788 0.34078 0.34513 0.36392 0.37056 0.37990 0.38205 0.39250 0.39829 0.40361 0.40498 0.40971 0.42071 0.43245 0.44072 0.44537 0.45007 0.45609 0.46010 0.48354 0.48382 0.48754 0.50431 0.51064 0.53266 0.53308 0.55137 0.55417 0.55511 0.56062 0.56307 0.57340 0.58659 0.59077 0.59987 0.60173 0.60807 0.61077 0.62353 0.62884 0.63466 0.64229 0.64499 0.64728 0.68102 0.68284 0.69874 0.70086 0.70643 0.72970 0.74005 0.74190 0.75266 0.75913 0.75921 0.76616 0.77643 0.78790 0.79227 0.79644 0.80272 0.81689 0.82324 0.84006 0.85198 0.86871 0.87039 0.87815 0.89616 0.90030 0.91567 0.93636 0.94979 0.97353 0.98905 1.01572 1.01809 1.03542 1.04350 1.04505 1.06401 1.07356 1.09433 1.09808 1.11192 1.13326 1.15275 1.18988 1.19641 1.20460 1.21430 1.23147 1.23987 1.24736 1.26454 1.26796 1.28524 1.28933 1.30313 1.30875 1.33129 1.34223 1.35843 1.37513 1.38629 1.39686 1.39990 1.40367 1.41229 1.41688 1.41890 1.43738 1.44383 1.44500 1.44622 1.44947 1.47510 1.48085 1.48204 1.52510 1.54824 1.55789 1.56421 1.58517 1.60857 1.61656 1.62878 1.64279 1.66866 1.68323 1.68963 1.71556 1.72711 1.74505 1.76043 1.78308 1.80944 1.81403 1.87948 1.89145 1.89953 1.93536 1.94413 1.98995 2.02566 2.06152 2.06206 2.08016 2.08737 2.10803 2.17617 2.20151 2.23227 2.24377 2.25706 2.25877 2.26781 2.26942 2.34551 2.38740 2.40227 2.43996 2.46206 2.47347 2.50449 2.53939 2.54062 2.58153 2.59495 2.59580 2.61124 2.62806 2.63934 2.65565 2.66547 2.67050 2.67807 2.69486 2.69653 2.70680 2.70917 2.72206 2.72604 2.73538 2.75053 2.75913 2.76101 2.77242 2.77430 2.78472 2.79355 2.80489 2.82015 2.83114 2.84945 2.86800 2.87239 2.89793 2.89964 2.92472 2.93141 2.93716 2.95183 2.97333 2.97399 2.98158 2.99020 3.00485 3.02558 3.03015 3.03019 3.04383 3.05164 3.06490 3.07078 3.08145 3.08895 3.09411 3.10864 3.12337 3.12905 3.16064 3.16918 3.19098 3.20629 3.20722 3.21215 3.21885 3.23319 3.26476 3.27369 3.28608 3.29477 3.30440 3.31715 3.31743 3.32712 3.33391 3.34404 3.37156 3.38282 3.39547 3.39915 3.42110 3.43749 3.44081 3.45649 3.49636 3.50822 3.51991 3.52496 3.53843 3.54173 3.55074 3.55837 3.56500 3.57495 3.61098 3.61629 3.62234 3.64270 3.65041 3.65821 3.70746 3.71243 3.72894 3.76516 3.76529 3.79962 3.82196 3.83144 3.84070 3.87731 3.88413 3.91968 3.92681 3.94149 3.95347 3.97998 4.00932 4.01958 4.04484 4.06786 4.09088 4.13667 4.15075 4.15309 4.16515 4.20565 4.21073 4.24033 4.24709 4.25656 4.26537 4.28836 4.29405 4.29452 4.30645 4.32908 4.35628 4.36997 4.38621 4.39403 4.40205 4.43490 4.43684 4.49189 4.51404 4.53337 4.57372 4.59283 4.60501 4.64690 4.67097 4.73064 4.78871 4.81906 4.82346 4.87159 4.93525 5.01890 5.05266 5.08917 5.18766 5.20999 5.24292 5.34107 5.34671 5.41218 5.51132 5.65334 5.67194 5.74598 5.86571 6.13229 6.19275 6.21579 6.23840 6.24187 6.28469 6.31801 6.40372 6.45080 6.49684 6.50131 6.50833 6.51323 6.51444 6.52824 6.54406 6.55462 6.57563 6.60186 6.62390 6.62827 6.63999 6.67189 6.68658 6.69696 6.70210 6.76023 6.81647 6.84284 6.87784 6.94779 6.96292 7.04245 7.05437 7.08759 7.28982 7.32742 7.39874 7.53919 7.56082 7.67943 7.79261 8.86077 8.88468 8.89994 8.93818 8.96520 8.98147 8.99952 9.01846 9.20165 9.26592 9.27111 9.35217 9.39821 9.48696 9.50083 9.61420 9.67872 9.76451 9.76929 9.87180 22.76430 23.05447 23.39363 23.44335 23.47119 23.59378 23.60165 23.68868 23.92500 24.05682 63.57022 63.61591 63.62065 63.67215 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 H H H H -0.120050 0.436736 -0.026710 -0.110551 -0.257747 -0.110736 0.453151 -0.098427 0.003092 -0.321930 -0.218303 -0.209464 -0.179423 -0.163553 0.197345 0.227332 0.237190 0.262049 -0.00000 1-A'. -2.5558 -0.3988 0.0000 2.5867 -75.2042 -82.9208 -77.2716 6.1395 0.0000 -0.0000 3.2613 -4.4552 1.1939 6.1395 0.0000 -0.0000 -9.9002 -7.8268 -0.0000 9.5557 -1.6999 0.0000 16.1955 -2.0163 -0.0000 -0.0000 -1377.3073 -1761.3754 -77.3765 342.0241 0.0000 436.1561 -0.0000 0.0000 -0.0000 -529.3778 -256.6836 -282.1973 -0.0000 0.0000 110.0288 (A")|(A")|(A")|(A')|(A')|(A')|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A')|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A")|(A")|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A")|(A')|(A')|(A')|(A')|(A')|(A")|(A')|(A')|(A')|(A')|(A")|(A')|(A')|(A')|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A')|(A")|(A")|(A')|(A')|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A")|(A")|(A')|(A')|(A")|(A')|(A')|(A')|(A")|(A')|(A')|(A')|(A')|(A")|(A')|(A')|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A')|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A')|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A')|(A')|(A')|(A')|(A")|(A')|(A')|(A')|(A")|(A')|(A')|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A")|(A")|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A")|(A')|(A')|(A')|(A')|(A")|(A")|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A")|(A')|(A")|(A")|(A")|(A')|(A')|(A')|(A")|(A")|(A')|(A")|(A")|(A')|(A')|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A')|(A')|(A")|(A')|(A')|(A')|(A")|(A")|(A")|(A')|(A')|(A")|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A")|(A")|(A")|(A")|(A')|(A')|(A')|(A')|(A")|(A")|(A")|(A")|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A') (A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(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-AMD19 OCHARAPALE 2025-12-14T00:00:00.000 0 4F_isomer_29 opt 0 1 Version=ES64L-G16RevC.02 State=1-A' HF=-782.3096434 RMSD=6.411e-09 Dipole=-0.5227996,-0.8731393,0. Quadrupole=-5.4526267,4.5649747,0.887652,1.9938957,0.,0. PG=CS [SG(C10H4F4)] 0 -0.309574 -1.056449 0. 0 -0.420222 0.349866 0. 0 0.763118 1.103928 0. 0 -1.493817 -1.817492 0. 0 0.960853 -1.661747 0. 0 -1.684251 0.964769 0. 0 1.98208 0.510295 0. 0 -2.712455 -1.218286 0. 0 2.068804 -0.889408 0. 0 -2.784253 0.177545 0. 0 0.688876 2.418778 0. 0 3.082696 1.223635 0. 0 3.274913 -1.41752 0. 0 -3.986281 0.731009 0. 0 -1.420938 -2.894211 0. 0 1.06171 -2.735143 0. 0 -1.777665 2.03769 0. 0 -3.626625 -1.789581 0.