%nprocshared=24
%mem=41GB
#p opt=(calcfc,noeigentest,ts,maxstep=8) freq=noraman b3lyp 6-31G(d) scrf=(pcm,solvent=generic,read) nosymm empiricaldispersion=gd3 scf=(xqc,maxcyc=1024)

Direct TS

0 1
 C                  0.86909971    1.98741117   -3.33164762
 C                  2.13784843    1.89711118   -2.62361291
 C                  2.82393418    0.68087960   -2.57675602
 C                  2.26105165   -0.49466866   -3.21990518
 C                  1.04355782   -0.40849195   -3.89675402
 C                  0.33369040    0.85881339   -3.95290420
 C                  0.00379756    2.88527495   -2.58559171
 C                  0.74002274    3.34592319   -1.41942717
 C                  2.06083489    2.74622407   -1.44939121
 C                  2.65185552    2.33353405   -0.24790862
 C                  3.44345248    0.25467418   -1.33404989
 C                  2.54553056   -1.65020737   -2.38290806
 C                  1.59981348   -2.66983898   -2.25482302
 C                  0.33218481   -2.58043354   -2.95991937
 C                  0.05891887   -1.46880880   -3.75951368
 C                 -1.26003281   -0.85851503   -3.73591371
 C                 -1.09033082    0.58059542   -3.85314858
 C                 -1.92061616    1.44211908   -3.13591740
 C                 -1.36290231    2.61818920   -2.48994498
 C                  0.07341196    3.51253111   -0.20409438
 C                 -1.34248187    3.23645874   -0.10501820
 C                 -2.05411211    2.79983696   -1.22365008
 C                 -3.04671220    1.74932110   -1.09178820
 C                 -2.95654409    0.90261953   -2.26682762
 C                 -3.12478816   -0.48049837   -2.16067948
 C                 -2.25382590   -1.37584951   -2.90392431
 C                 -1.96911505   -2.53055546   -2.06640435
 C                 -0.70297107   -3.11875264   -2.09328284
 C                  3.27496982   -1.18589158   -1.21583826
 C                 -0.00260097   -2.90670182    1.52601298
 C                  1.36215583   -2.63834128    1.42985783
 C                  1.92298690   -1.45979446    2.07634245
 C                  1.08819613   -0.58226849    2.77547238
 C                 -0.33829057   -0.86062702    2.87361285
 C                 -2.13562029   -1.91620598    1.57083236
 C                 -2.05647550   -2.75897514    0.38952672
 C                 -0.73717023   -3.37089940    0.36159623
 C                 -0.07436789   -3.54723485   -0.85499690
 C                  1.34943785   -3.26951659   -0.95455678
 C                  2.05408727   -2.82512816    0.16604341
 C                  2.95541874   -0.92238373    1.21461118
 C                  3.10597505    0.46167591    1.09853963
 C                  2.24381904    1.36165339    1.84642548
 C                  1.26506029    0.84823153    2.68652229
 C                 -1.04938715    0.39717898    2.84562795
 C                 -2.25419563    0.48450189    2.16052048
 C                 -2.80741523   -0.69269467    1.51179027
 C                 -2.65585849   -2.34333493   -0.80066769
 C                 -3.36616400   -1.07448585   -0.85755705
 C                 -3.43898570   -0.26584933    0.27843912
 C                 -3.27362911    1.17739540    0.16695925
 C                 -2.56696528    1.64866000    1.33797200
 C                 -1.58049033    2.63384982    1.20210922
 C                 -0.33439402    2.58088548    1.92291176
 C                  0.69264741    3.07723810    1.04231072
 C                  1.98321518    2.53520567    1.01872266
 C                  3.04002127   -1.76388794    0.03273861
 C                  3.35933217    1.06096551   -0.19716573
 C                 -0.87165691   -2.00709965    2.27276623
 C                 -0.06088956    1.52259132    2.86168695
 C                 -0.03200582    1.99836761    4.79778898
 N                  0.06563753    1.58403657    5.89303385
 K                 -0.01007681   -1.08632180    6.27269781

solventname=c60
eps=4.08
epsinf=3.83


