Gaussian 16 14-Dec-2025 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 18 18 38 38 444 (5D, 7F) CBSB3** 33 CS[SG(C10H7F)] RMN15 6-311G(2df,2p) SP #P MN15/6-311G(2df,2p) sp IOP(3/5=12) 139.1054032 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:18nC0C0C0C0C0C0C0C0C0C0F0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;/rC:-.2804,-.6192,0;-.5027,.7752,0;.6075,1.642,0;-1.3919,-1.484,0;1.0405,-1.1067,0;-1.8251,1.2578,0;1.8759,1.1569,0;-2.6572,-.9874,0;2.0683,-.228,0;-2.8787,.3995,0;3.3169,-.6752,0;.4371,2.7082,0;-1.2224,-2.5504,0;1.2368,-2.1674,0;-1.9883,2.3255,0;2.7365,1.8063,0;-3.5001,-1.6612,0;-3.8885,.7794,0; /prod/precompiled/gaussian/16c2/g16/g16 /prod/precompiled/gaussian/16c2/g16/l1.exe "/data/udgqfd/ocharapale/fluronapthalene/sp/1F_isomer_2_tmp/Gau-2841.inp" -scrdir="/data/udgqfd/ocharapale/fluronapthalene/sp/1F_isomer_2_tmp/" nproc=32 mem = 60GB chk=1F_isomer_2.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 1F_isomer_2 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 1 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 1.0078250 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 353 146 A' A" 309 135 A' A" 656 499 548.0338094105 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= 444 RedAO= T EigKep= 1.28D-06 NBF= 309 135 NBsUse= 442 1.00D-06 EigRej= 5.82D-07 NBFU= 307 135 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 139.1054032 AuxInfo=1/0/N:1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18/rA:18nC0C0C0C0C0C0C0C0C0C0F0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;/rC:-.2804,-.6192,0;-.5027,.7753,0;.6075,1.642,0;-1.3919,-1.4839,0;1.0405,-1.1067,0;-1.8251,1.2578,0;1.8759,1.1569,0;-2.6572,-.9874,0;2.0683,-.228,0;-2.8787,.3995,0;3.3169,-.6752,0;.4371,2.7082,0;-1.2224,-2.5504,0;1.2368,-2.1674,0;-1.9883,2.3255,0;2.7365,1.8063,0;-3.5001,-1.6612,0;-3.8885,.7794,0; 0.000000 1.412062 0.000000 2.429239 1.408404 0.000000 1.408222 2.427891 3.710610 0.000000 1.408029 2.433778 2.782578 2.461460 0.000000 2.430888 1.407735 2.462752 2.775754 3.715213 0.000000 2.793623 2.409018 1.358029 4.201483 2.412849 3.702425 0.000000 2.405151 2.783711 4.191871 1.359292 3.699662 2.394424 5.014718 0.000000 2.381042 2.759756 2.372897 3.681019 1.352188 4.167261 1.398186 4.786116 0.000000 2.790868 2.405590 3.701000 2.399596 4.198708 1.358961 4.814605 1.404463 4.986634 0.000000 3.597788 4.085728 3.565150 4.777748 2.316957 5.493374 2.330883 5.982306 1.326327 6.288177 0.000000 3.403868 2.149275 1.079745 4.573735 3.862322 2.687260 2.115810 4.819983 3.358838 4.040411 4.443027 0.000000 2.148652 3.402625 4.574277 1.079835 2.684162 3.855589 4.831480 2.121743 4.027605 3.383099 4.911357 5.514194 0.000000 2.167679 3.418334 3.861004 2.716037 1.078702 4.594262 3.385198 4.068855 2.110150 4.850394 2.560047 4.940737 2.488755 0.000000 3.404126 2.147157 2.684247 3.855852 4.577526 1.080108 4.037042 3.379768 4.793321 2.121902 6.095030 2.455397 4.935685 5.530576 0.000000 3.871022 3.399279 2.135317 5.279113 3.370777 4.594448 1.078101 6.074271 2.141268 5.788748 2.548516 2.469874 5.886698 4.247333 4.753173 0.000000 3.384129 3.862793 5.270997 2.115703 4.574378 3.365449 6.069901 1.079132 5.749881 2.152354 6.888003 5.881627 2.445184 4.763867 4.263761 7.135755 0.000000 3.869643 3.385789 4.577924 3.369846 5.277536 2.118057 5.776728 2.153524 6.041316 1.078848 7.350755 4.736100 4.265665 5.912014 2.449697 6.704033 2.471356 0.000000 C10H7F CS 2 CS 2 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 139.1054032 AuxInfo=1/0/N:1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18/rA:18nC0C0C0C0C0C0C0C0C0C0F0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;/rC:0,.6797,0;-.7777,-.4988,0;-.124,-1.7463,0;-.6557,1.926,0;1.4044,.5789,0;-2.1815,-.3928,0;1.2316,-1.8277,0;-2.0132,1.9957,0;1.9781,-.6455,0;-2.7872,.8237,0;3.3001,-.7533,0;-.7191,-2.6473,0;-.0613,2.8275,0;2.0208,1.4642,0;-2.7706,-1.2981,0;1.7475,-2.7744,0;-2.5031,2.9572,0;-3.8637,.8941,0; 2.9058700 0.8241340 0.6420439 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= 499 499 499 499 499 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') Closed 1 1 1 -484.473510388963 -484.592694904824 -0.119184515862 -484.701584068539 -0.108889163715 -484.712632171208 -0.011048102669 -484.715888120982 -0.003255949774 -484.715951721491 -0.000063600509 -484.715962471093 -0.000010749602 -484.715962950797 -0.000000479704 -484.715963065570 -0.000000114773 -484.715963074258 -0.000000008688 -484.715963076444 -0.000000002186 -484.715963076679 -0.000000000235 -484.715963076700 -0.000000000022 -484.715963076699 0.000000000002 -484.715963077 14 4.833315747045e+02 -2.228102295828e+03 7.120209486364e+02 Using DIIS extrapolation, IDIIS= 1040. NGot= 8053063680 LenX= 8052543963 LenY= 8052294463 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. PT618.600S 2025-12-14T22:16:27.000 -24.27442 -10.12832 -10.06020 -10.05537 -10.05463 -10.05067 -10.04733 -10.04662 -10.04648 -10.04571 -10.04416 -1.27201 -0.93962 -0.88353 -0.83236 -0.79512 -0.77606 -0.68870 -0.67052 -0.65596 -0.59822 -0.58037 -0.56453 -0.53573 -0.51967 -0.50338 -0.49428 -0.47485 -0.46539 -0.45149 -0.45015 -0.41889 -0.39345 -0.37973 -0.37899 -0.33833 -0.28623 -0.26050 -0.02950 0.00168 0.03043 0.03247 0.04195 0.04688 0.06137 0.06631 0.08088 0.08609 0.09339 0.09985 0.11057 0.11593 0.11752 0.12610 0.13149 0.13228 0.14039 0.14711 0.15283 0.15466 0.15836 0.16087 0.16345 0.17056 0.17461 0.18356 0.18682 0.19243 0.19522 0.20387 0.20837 0.21153 0.21599 0.22216 0.24405 0.24605 0.24692 0.25144 0.25791 0.26185 0.26557 0.27363 0.27572 0.28119 0.29468 0.30213 0.31049 0.31512 0.31752 0.32258 0.32472 0.32847 0.33710 0.34434 0.34780 0.35717 0.36456 0.37845 0.38171 0.39113 0.39679 0.40761 0.41777 0.43431 0.44634 0.46036 0.47716 0.49479 0.51516 0.51630 0.52357 0.54809 0.55222 0.55623 0.55949 0.56397 0.56662 0.58021 0.58240 0.58856 0.59371 0.61113 0.61666 0.61873 0.62192 0.64013 0.64479 0.65050 0.65341 0.65519 0.67681 0.68942 0.69678 0.71029 0.71132 0.72438 0.72685 0.73212 0.74187 0.75203 0.75353 0.76457 0.76881 0.78151 0.78872 0.80189 0.81137 0.81608 0.82050 0.82230 0.82613 0.83315 0.83775 0.85559 0.85980 0.88389 0.88654 0.88924 0.91755 0.93875 0.95746 0.98222 0.98338 1.01939 1.02427 1.04156 1.05590 1.06785 1.07557 1.09604 1.09769 1.10670 1.13845 1.14406 1.15394 1.17648 1.18702 1.22092 1.23086 1.23466 1.24326 1.24963 1.26659 1.29047 1.29723 1.31058 1.31902 1.32181 1.33230 1.33761 1.34319 1.34924 1.35995 1.38672 1.39323 1.39972 1.40771 1.41376 1.43342 1.44661 1.45823 1.46705 1.48345 1.49356 1.51244 1.51554 1.52138 1.53198 1.57934 1.60618 1.65339 1.68239 1.69850 1.70475 1.72440 1.74705 1.75684 1.75945 1.77639 1.80157 1.81196 1.83792 1.88451 1.88882 1.93129 1.93955 1.96665 2.01326 2.03661 2.08313 2.12049 2.16001 2.20218 2.26306 2.27729 2.39198 2.39975 2.43699 2.49196 2.53348 2.55523 2.56452 2.57925 2.58420 2.59900 2.62933 2.64639 2.65856 2.66948 2.67573 2.67942 2.68439 2.68822 2.69955 2.71027 2.71895 2.73867 2.74586 2.74957 2.75982 2.76488 2.77293 2.77961 2.78448 2.79476 2.79995 2.80463 2.82013 2.82256 2.82720 2.84632 2.85769 2.88311 2.90235 2.91580 2.92623 2.94689 2.97172 2.97441 3.00109 3.02378 3.02749 3.02910 3.03350 3.05703 3.07178 3.08103 3.08110 3.08590 3.08773 3.09238 3.11374 3.12143 3.13197 3.13516 3.15102 3.17922 3.18075 3.20611 3.21899 3.22032 3.24730 3.25098 3.26658 3.28174 3.28939 3.30583 3.31560 3.32500 3.34026 3.34398 3.34662 3.34706 3.36699 3.37590 3.38607 3.39858 3.43858 3.44412 3.45464 3.48336 3.48522 3.51951 3.52392 3.54525 3.55367 3.56072 3.56498 3.56566 3.59914 3.63699 3.64267 3.66145 3.66763 3.67575 3.69275 3.70408 3.71430 3.71994 3.73343 3.76127 3.79216 3.80308 3.82021 3.82823 3.87224 3.87760 3.89503 3.89847 3.94814 3.97168 3.98724 4.00251 4.02166 4.03142 4.03630 4.06064 4.06572 4.13574 4.15401 4.16074 4.18618 4.20464 4.21755 4.24655 4.24679 4.26701 4.27419 4.27805 4.28669 4.28849 4.33044 4.33415 4.34584 4.35116 4.37587 4.38421 4.41485 4.43491 4.44614 4.46947 4.47003 4.48569 4.50408 4.52894 4.57903 4.61776 4.62760 4.65012 4.69191 4.71030 4.79767 4.83720 4.84163 4.86543 4.89521 4.98646 5.03954 5.07301 5.08725 5.13317 5.17770 5.24897 5.33177 5.40286 5.45297 5.48883 5.57180 5.62359 5.65862 5.72314 5.78310 5.88737 6.01928 6.24092 6.25144 6.37271 6.47688 6.52616 6.56924 6.64956 6.70373 6.85543 6.96981 7.33149 7.56066 8.91103 9.01097 9.28010 9.49850 9.77786 22.73219 23.02069 23.37442 23.40690 23.44166 23.56736 23.61310 23.66817 23.93205 24.05632 63.62588 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 H H H H H H H 0.486228 0.233709 -0.211338 -0.246244 -0.269729 -0.241265 -0.068632 -0.346603 -0.263054 -0.394245 -0.164809 0.192363 0.181197 0.210321 0.184352 0.255869 0.232703 0.229174 -0.00000 1-A'. -1.5912 0.0571 0.0000 1.5922 -63.5460 -54.6598 -67.2810 1.1566 0.0000 0.0000 -1.7171 7.1691 -5.4521 1.1566 0.0000 0.0000 -13.9087 -7.0120 -0.0000 7.0154 5.5097 0.0000 12.9818 -3.1524 -0.0000 -0.0000 -1353.1207 -674.8145 -76.2863 197.1747 0.0000 172.7000 0.0000 0.0000 -0.0000 -315.4062 -250.1964 -151.6780 -0.0000 0.0000 68.6218 (A")|(A")|(A")|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A")|(A")|(A")|(A')|(A')|(A')|(A")|(A')|(A')|(A')|(A')|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A")|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A")|(A")|(A')|(A')|(A")|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A')|(A")|(A')|(A')|(A')|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A')|(A')|(A")|(A')|(A')|(A')|(A")|(A')|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A')|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A")|(A")|(A')|(A')|(A')|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A")|(A')|(A")|(A")|(A')|(A")|(A')|(A")|(A")|(A")|(A")|(A')|(A")|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A')|(A')|(A')|(A")|(A')|(A')|(A')|(A')|(A")|(A")|(A')|(A')|(A")|(A")|(A')|(A')|(A')|(A")|(A')|(A')|(A')|(A")|(A')|(A")|(A")|(A")|(A')|(A')|(A")|(A")|(A')|(A")|(A")|(A')|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A')|(A')|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A")|(A")|(A')|(A")|(A")|(A")|(A')|(A")|(A')|(A')|(A')|(A')|(A")|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A')|(A')|(A')|(A")|(A")|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A")|(A')|(A')|(A")|(A')|(A")|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A') (A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(A')|(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-AMD12 OCHARAPALE 2025-12-14T00:00:00.000 0 1F_isomer_2 opt 0 1 Version=ES64L-G16RevC.02 State=1-A' HF=-484.7159631 RMSD=5.021e-09 Dipole=-0.5795359,0.2378095,0. Quadrupole=-0.7985155,4.8519902,-4.0534747,1.9155796,0.,0. PG=CS [SG(C10H7F1)] 0 -0.280425 -0.619208 0. 0 -0.502678 0.775253 0. 0 0.607473 1.641951 0. 0 -1.391872 -1.483948 0. 0 1.040511 -1.106725 0. 0 -1.825131 1.257784 0. 0 1.875919 1.156886 0. 0 -2.657226 -0.987407 0. 0 2.06826 -0.228007 0. 0 -2.878737 0.399478 0. 0 3.316927 -0.675193 0. 0 0.437112 2.708172 0. 0 -1.222351 -2.550394 0. 0 1.236762 -2.167425 0. 0 -1.988282 2.325499 0. 0 2.736453 1.806335 0. 0 -3.500135 -1.661224 0. 0 -3.888464 0.779432 0.