%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

1 2
 C                 -2.27631115   -2.66169497   -2.62716098
 C                 -3.15715091   -1.60604376   -2.14498922
 C                 -3.40174013   -0.48639057   -2.94787517
 C                 -2.75665222   -0.36972042   -4.24382149
 C                 -1.91040547   -1.37961261   -4.70409414
 C                 -1.66451176   -2.54860673   -3.87521583
 C                 -1.52023148   -3.16445066   -1.49349244
 C                 -1.93717778   -2.41513128   -0.31900226
 C                 -2.95952224   -1.46712005   -0.71752836
 C                 -2.96556500   -0.18926550   -0.12874637
 C                 -3.41999419    0.83180703   -2.34302201
 C                 -2.39979417    1.02587316   -4.45272438
 C                 -1.20838644    1.35230523   -5.10585718
 C                 -0.32644032    0.30150810   -5.58288726
 C                 -0.66912903   -1.03758279   -5.37701862
 C                  0.34322955   -1.99731736   -4.97136759
 C                 -0.27070149   -2.93091016   -4.04094062
 C                  0.45540253   -3.41176484   -2.95218858
 C                 -0.18296227   -3.53256000   -1.65295192
 C                 -0.98906916   -2.06456247    0.64253007
 C                  0.39065385   -2.44524885    0.47767609
 C                  0.79871616   -3.16696776   -0.64506418
 C                  2.04266856   -2.83909072   -1.31121867
 C                  1.82814029   -2.97383229   -2.73731972
 C                  2.42145541   -2.08317992   -3.63770860
 C                  1.65962499   -1.58023950   -4.76754861
 C                  2.01814196   -0.18514842   -4.97615045
 C                  1.04366824    0.73484425   -5.37262795
 C                 -2.80710565    1.76804429   -3.27517655
 C                  1.53221463    3.15556685   -2.62906823
 C                  0.19861945    3.52195879   -2.47178114
 C                 -0.44136867    3.40178636   -1.16796872
 C                  0.27932485    2.89674718   -0.07878043
 C                  1.67318294    2.51500549   -0.24150653
 C                  3.16606830    1.60686049   -1.96050146
 C                  2.96185786    1.45316561   -3.38975383
 C                  1.94875663    2.41151583   -3.80387045
 C                  1.00962525    2.05884218   -4.77573606
 C                 -0.38326395    2.44075863   -4.61098909
 C                 -0.77972458    3.15905309   -3.48108479
 C                 -1.80205209    2.96942313   -1.37292925
 C                 -2.38421532    2.06282962   -0.47858069
 C                 -1.63034141    1.56969108    0.65842705
 C                 -0.33983349    2.02022015    0.87502261
 C                  1.95809095    1.39193892    0.60954383
 C                  2.76011605    0.36658542    0.14117699
 C                  3.38852668    0.47969750   -1.16107677
 C                  2.98771351    0.17965327   -3.96109294
 C                  3.23198726   -0.99125923   -3.13015621
 C                  3.42460317   -0.83892446   -1.75559096
 C                  2.81902792   -1.77523838   -0.81454884
 C                  2.44037880   -1.05205574    0.37253445
 C                  1.20375397   -1.33655346    0.97750700
 C                  0.33900232   -0.34390467    1.53654786
 C                 -1.00187465   -0.73172132    1.24473145
 C                 -2.02797321    0.17219359    0.90573835
 C                 -2.01943596    2.81863490   -2.80035149
 C                 -3.20717613    0.97868866   -0.97013172
 C                  2.29074348    2.65175244   -1.49047215
 C                  0.74626253    1.13173581    1.54808721
 C                  0.99037451    1.56897029    2.93930222
 N                  1.12229573    1.81936736    4.06709649
 K                  1.44167385    2.42671427    6.79911827
 K                 -2.48778702    1.07266169    4.33709060
 N                 -1.44351903    1.99877358    6.82182065
 C                  2.35227772   -0.27993516    7.14164686
 C                 -1.91952858   -1.69203230    4.81080381
 C                 -1.44467319    1.09746443    7.58363973
 N                  2.02497806   -1.38657057    6.89686686
 N                 -1.19606062   -2.53279637    5.21163554
 K                 -0.67577375   -1.69682863    7.91747974
 K                  1.37697911   -1.92853422    4.20560586

solventname=c60
eps=4.08
epsinf=3.83

