%nprocshared=8
%mem=22GB
#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                  0.39727676    2.04564190   -5.93330196
 C                  1.78078703    1.76277409   -5.57447491
 C                  2.30320186    0.48122785   -5.78126919
 C                  1.45729916   -0.56620655   -6.32548565
 C                  0.13087906   -0.29587721   -6.66479779
 C                 -0.40915863    1.03873954   -6.46227509
 C                 -0.14315247    2.96082855   -4.94358672
 C                  0.90913494    3.23360870   -3.97730139
 C                  2.10133353    2.51118161   -4.37757758
 C                  2.90908072    1.93164235   -3.38216518
 C                  3.14533284   -0.11536406   -4.76227637
 C                  1.79504968   -1.81718279   -5.66217776
 C                  0.79077240   -2.74087217   -5.36026115
 C                 -0.58998287   -2.45907541   -5.71227645
 C                 -0.91163218   -1.25490705   -6.34392134
 C                 -2.09867728   -0.51635138   -5.95010590
 C                 -1.78893544    0.90258826   -6.02114643
 C                 -2.30703695    1.77943606   -5.06896426
 C                 -1.46732780    2.83074124   -4.52054185
 C                  0.58335279    3.36096161   -2.62778986
 C                 -0.78223025    3.22793181   -2.19161671
 C                 -1.79951598    2.96882081   -3.11183789
 C                 -2.84833280    2.02304082   -2.79127673
 C                 -3.15224528    1.27599973   -3.99484058
 C                 -3.45773809   -0.08705316   -3.93231172
 C                 -2.91285871   -0.99835452   -4.92389507
 C                 -2.57652868   -2.24868771   -4.25925989
 C                 -1.43736722   -2.96050681   -4.64462784
 C                  2.83648689   -1.53690273   -4.69265632
 C                  0.15426478   -3.15076967   -1.31954962
 C                  1.47372655   -3.02060437   -1.74315093
 C                  2.31648573   -1.96655990   -1.19217384
 C                  1.79202526   -1.07018584   -0.25290200
 C                  0.41359853   -1.20568238    0.18990903
 C                 -1.75673249   -1.94816721   -0.67353853
 C                 -2.07966948   -2.68533089   -1.88156409
 C                 -0.89535633   -3.42838634   -2.28329919
 C                 -0.58167750   -3.56378389   -3.63750014
 C                  0.79626113   -3.42704604   -4.07978556
 C                  1.80380897   -3.16241287   -3.14992708
 C                  3.15733494   -1.46407375   -2.25040914
 C                  3.44443067   -0.09519119   -2.31740606
 C                  2.91313211    0.81384381   -1.31984594
 C                  2.14256787    0.32217515   -0.28110319
 C                 -0.12903079    0.09971237    0.44845846
 C                 -1.42932959    0.38618901    0.07481456
 C                 -2.26580385   -0.65818230   -0.48383746
 C                 -2.89691972   -2.10263136   -2.85212239
 C                 -3.43475584   -0.76485631   -2.64911309
 C                 -3.11986754   -0.05864864   -1.48641267
 C                 -2.81428184    1.36665607   -1.54675810
 C                 -1.80125970    1.65995953   -0.56495766
 C                 -0.75500863    2.53372630   -0.90495177
 C                  0.60811561    2.34365912   -0.50831466
 C                  1.42572967    2.74824943   -1.60178304
 C                  2.62065941    2.09997282   -1.97801745
 C                  2.84798941   -2.19924679   -3.46343019
 C                  3.44018006    0.58936204   -3.59207794
 C                 -0.38658993   -2.23174398   -0.32564277
 C                  1.00753787    1.15864987    0.37737062
 C                  1.40748901    1.64574589    1.71464762
 N                  1.72949849    2.10892571    2.73123524
 K                  1.49167231   -0.36946430    4.11456205
 K                  1.79602004    3.94433996    6.39804460
 N                  1.66864363    1.17090162    6.69068003
 C                 -1.79824494   -0.87513826    4.44271219
 C                 -1.06989231    3.89307106    6.58949604
 C                  1.87086442    0.24771805    7.39640905
 N                 -1.45063333    0.21690504    4.16438223
 N                 -2.09421217    3.41684372    6.25027963
 K                 -1.48187742    0.77324763    7.31724653
 K                 -1.91038694    2.87170081    3.47740127
 K                 -1.79311648   -3.42043271    5.90303330
 C                  1.56526864   -3.08955197    5.13454499
 N                  1.05594395   -3.72783881    5.98615816
 C                 -1.03547984   -2.20708697    9.13799669
 N                 -1.81058123   -1.87597001    8.31158952
 K                  1.78486535   -2.47285290    8.47514044

solventname=c60
eps=4.08
epsinf=3.83


