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

Opt freq

0 1
 C                 -3.89813955    3.06923849    2.10198436
 C                 -3.18905043    3.44365139    0.89065081
 C                 -3.90856298    3.81289824   -0.25160534
 C                 -5.36060907    3.80570946   -0.23008801
 C                 -6.03847015    3.44214996    0.93517759
 C                 -5.29207224    3.07238216    2.12726260
 C                 -3.15882927    2.00034319    2.75032580
 C                 -1.99219166    1.70600730    1.95211011
 C                 -2.01036879    2.61187904    0.77915072
 C                 -1.58654366    2.17477001   -0.45836490
 C                 -3.47833841    3.33518179   -1.54387721
 C                 -5.82693948    3.32411664   -1.52093916
 C                 -6.95035919    2.49679892   -1.59121332
 C                 -7.65843728    2.12549434   -0.37888291
 C                 -7.20825577    2.58722429    0.86030853
 C                 -7.19305279    1.69664607    2.01053518
 C                 -6.01014704    1.99598304    2.79393053
 C                 -5.30285768    0.96714379    3.41812937
 C                 -3.85212507    0.97136540    3.40288359
 C                 -1.56600498    0.40068302    1.81882408
 C                 -2.29532786   -0.65858284    2.44547694
 C                 -3.40896332   -0.39279315    3.24719919
 C                 -4.57846324   -1.25949350    3.19007631
 C                 -5.74951066   -0.41344631    3.27872787
 C                 -6.89317755   -0.70102705    2.52568669
 C                 -7.61989089    0.37328453    1.87452223
 C                 -8.08007909   -0.10882199    0.58230640
 C                 -8.09887609    0.74788010   -0.51958347
 C                 -4.66088865    3.03072917   -2.33439684
 C                 -6.05338773   -1.33656471   -2.77376034
 C                 -5.37257339   -0.30036437   -3.41562115
 C                 -3.92060133   -0.28540513   -3.42143507
 C                 -3.20095912   -1.29746992   -2.77565055
 C                 -3.91490760   -2.36988641   -2.10616755
 C                 -6.02575247   -2.77990036   -0.92003841
 C                 -7.20528404   -1.94146334   -0.81684630
 C                 -7.22279127   -1.04782484   -1.96616929
 C                 -7.66381768    0.26901356   -1.82086797
 C                 -6.95538002    1.34982120   -2.48413990
 C                 -5.83226270    1.07025087   -3.26678143
 C                 -3.48462816    1.08273862   -3.28645416
 C                 -2.35360063    1.36186375   -2.51479501
 C                 -1.59276457    0.30577260   -1.89488880
 C                 -2.00922512   -0.99795976   -2.01954624
 C                 -3.17557091   -2.75421789   -0.93412491
 C                 -3.85974551   -3.11942861    0.22318862
 C                 -5.31227184   -3.12518697    0.23059561
 C                 -7.62742077   -1.48089775    0.43133523
 C                 -6.88919544   -1.84385497    1.63006532
 C                 -5.75388719   -2.65274258    1.52953631
 C                 -4.56790698   -2.35363354    2.31836691
 C                 -3.39696097   -2.68269149    1.52634630
 C                 -2.29749503   -1.79626298    1.53045359
 C                 -1.52189945   -1.48378321    0.38360061
 C                 -0.85419647   -0.12598541    0.58518077
 C                 -0.86823825    0.84827254   -0.67191502
 C                 -4.66273378    1.92968356   -3.19039202
 C                 -2.35059194    2.51063524   -1.62747887
 C                 -5.31320072   -2.40487889   -2.12354809
 C                 -1.88095705   -2.01039452   -0.90119199
 C                 -0.84418027   -3.10955317   -1.43829266
 C                  3.67770081    1.26196611    3.40628226
 C                  5.12822724    1.31821095    3.42673288
 C                  5.79651591    2.35075011    2.76579910
 C                  5.03968499    3.37129937    2.05803099
 C                  3.64732051    3.30750578    2.02673607
 C                  2.94860435    2.23308812    2.70997768
 C                  3.28470428   -0.12303940    3.30604805
 C                  4.48979659   -0.93865395    3.26468300
 C                  5.63170699   -0.04362818    3.33887878
 C                  6.78037360   -0.31585499    2.59332515
 C                  6.99158230    2.06782077    1.99546445
 C                  5.77636920    3.72765670    0.85545229
 C                  5.08890515    4.02004781   -0.32406566
 C                  3.63839151    3.96812372   -0.35074979
 C                  2.92923785    3.60934585    0.80135382
 C                  1.78464345    2.72922556    0.71584424
 C                  1.79611449    1.86205923    1.91791945
 C                  1.40652336    0.54099096    1.84070698
 C                  2.17966065   -0.46528889    2.51901095
 C                  4.54076655   -2.07044826    2.45203234
 C                  3.38804428   -2.43733036    1.64399263
 C                  2.23501455   -1.64431915    1.67060514
 C                  1.49082923   -1.36728645    0.46898289
 C                  0.73182550   -0.05930220    0.61620725
 C                  0.71621417    0.88025786   -0.67622409
 C                  1.38534263    2.23464718   -0.50740232
 C                  2.13686739    2.56318809   -1.68728243
 C                  3.23290561    3.43008875   -1.62704027
 C                  6.97913334    2.91907069    0.81416185
 C                  5.68141153    1.20036736   -3.26051722
 C                  6.78745778    1.54937598   -2.48302666
 C                  7.53422101    0.52197852   -1.77860565
 C                  7.14599316   -0.81545379   -1.87814007
 C                  5.99530126   -1.17789655   -2.68213427
 C                  3.82332612   -0.23449846   -3.38185383
 C                  3.33365672    1.12016218   -3.29387293
 C                  4.47872329    2.01456528   -3.21848436
 C                  4.42933752    3.14391727   -2.40285492
 C                  5.57971424    3.50971476   -1.59460438
 C                  6.73570682    2.72832001   -1.63309538
 C                  7.94480021    1.06448966   -0.49460356
 C                  7.95681000    0.24895036    0.63742814
 C                  7.55861096   -1.14487190    0.53493508
 C                  7.15890946   -1.66684765   -0.69691145
 C                  6.01502682   -2.55512675   -0.77001254
 C                  5.29077614   -2.24874199   -1.99441927
 C                  3.89609929   -2.27651711   -2.00217201
 C                  3.14154015   -1.25414665   -2.70714266
 C                  2.18630533    1.38578784   -2.53750383
 C                  1.45968704    0.32869328   -1.88618078
 C                  1.94488445   -0.96170593   -1.94657537
 C                  1.96347447   -1.82443324   -0.74140213
 C                  3.16727518   -2.62521839   -0.79406074
 C                  3.86645110   -2.93954414    0.37789748
 C                  5.31686624   -2.89556402    0.39108125
 C                  5.73585891   -2.35544687    1.67555601
 C                  6.83263952   -1.49498117    1.74360271
 C                  7.45048549    2.42821530   -0.40507355
 C                  7.47467089    0.76060392    1.90921426
 C                  5.27528728   -0.19239315   -3.36120335
 N                 -0.12387897   -3.98539167   -1.72552948
 K                 -0.52055900   -4.43062496    1.68119117
 K                  2.04450761   -5.51877092   -1.87625091
 N                  1.70549760   -5.97916327    1.91594508
 C                  2.16554739   -6.22530800    0.85992867

solventname=c60
eps=4.08
epsinf=3.83


