%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                 -3.67803312    2.37183486    2.67915839
 C                 -2.96150860    2.97830135    1.57059324
 C                 -3.67150731    3.62194470    0.55031086
 C                 -5.12260809    3.67038259    0.59166952
 C                 -5.80786868    3.08139832    1.65639978
 C                 -5.07136893    2.42358246    2.72268310
 C                 -2.98062153    1.15675405    3.06111962
 C                 -1.83148331    1.00237117    2.20238587
 C                 -1.82162336    2.14354237    1.25847496
 C                 -1.43185065    1.96937123   -0.05268269
 C                 -3.27183469    3.42552943   -0.82224681
 C                 -5.61852904    3.51451415   -0.76661554
 C                 -6.77816917    2.76924332   -1.00237186
 C                 -7.49592994    2.16596938    0.10553906
 C                 -7.01537744    2.31347535    1.40998661
 C                 -7.03577519    1.19069419    2.33116696
 C                 -5.83273222    1.25445907    3.14024721
 C                 -5.16685574    0.08357213    3.50266908
 C                 -3.71796118    0.03430785    3.47015339
 C                 -1.46894355   -0.25769702    1.76695998
 C                 -2.24758808   -1.39169197    2.13985763
 C                 -3.33948438   -1.27340592    2.99797249
 C                 -4.54671580   -2.06395349    2.77265666
 C                 -5.67261482   -1.21368669    3.06076418
 C                 -6.84358344   -1.27550611    2.28889905
 C                 -7.51831952   -0.05149992    1.90664772
 C                 -8.01119151   -0.20778703    0.54636267
 C                 -7.99964087    0.87606706   -0.33392223
 C                 -4.47206435    3.35638960   -1.64126650
 C                 -6.06740996   -0.73462734   -3.03285391
 C                 -5.34425953    0.38940586   -3.43485285
 C                 -3.89260740    0.33953559   -3.45033769
 C                 -3.21584488   -0.82114644   -3.06187186
 C                 -3.97361011   -1.98888773   -2.64630387
 C                 -6.09351715   -2.55528213   -1.55721159
 C                 -7.23387176   -1.71299966   -1.24533742
 C                 -7.21965279   -0.58381697   -2.16376467
 C                 -7.59575126    0.68450538   -1.71672866
 C                 -6.84250425    1.85563269   -2.13059172
 C                 -5.73690085    1.70849965   -2.97312520
 C                 -3.39275296    1.61998376   -3.01810410
 C                 -2.24539388    1.66752885   -2.22285295
 C                 -1.52733112    0.46655107   -1.86891686
 C                 -1.99745332   -0.75169203   -2.29508411
 C                 -3.25053759   -2.68389930   -1.63005024
 C                 -3.93213227   -3.23261696   -0.55214839
 C                 -5.38308104   -3.17238448   -0.52195235
 C                 -7.62168156   -1.52726735    0.08207642
 C                 -6.88962947   -2.17985432    1.15749935
 C                 -5.78858776   -2.98735543    0.85372942
 C                 -4.57773139   -2.92373885    1.66284420
 C                 -3.43103755   -3.14914597    0.81202522
 C                 -2.30072421   -2.28643462    0.97634306
 C                 -1.46945269   -1.80765505   -0.03105294
 C                 -0.77929500   -0.53186359    0.44058052
 C                 -0.77027258    0.69587538   -0.56804824
 C                 -4.52811509    2.47635747   -2.72235590
 C                 -2.18627906    2.58799219   -1.10414259
 C                 -5.37747862   -1.95571470   -2.65635998
 C                 -1.82090122   -2.07220318   -1.49674479
 C                 -0.86448041   -2.99222570   -2.15901081
 C                  3.78295601    0.14494158    3.47814181
 C                  5.23393358    0.17884624    3.50486042
 C                  5.91410561    1.32352918    3.08469360
 C                  5.16897194    2.48307179    2.62017053
 C                  3.77577008    2.44327202    2.58033223
 C                  3.06481384    1.25307009    3.01409249
 C                  3.37348210   -1.17976571    3.07705449
 C                  4.56882139   -1.97939940    2.85350164
 C                  5.72139788   -1.13602523    3.11856065
 C                  6.86625871   -1.25166554    2.32800550
 C                  7.10494868    1.20221724    2.26642011
 C                  5.90853560    3.08513484    1.52180016
 C                  5.22343215    3.63602600    0.43718286
 C                  3.77257248    3.60807414    0.40446335
 C                  3.06035610    3.01342155    1.45262221
 C                  1.90673728    2.18558309    1.17999471
 C                  1.90731787    1.07776674    2.16335032
 C                  1.50176549   -0.18951804    1.79844068
 C                  2.26367633   -1.32861342    2.23809092
 C                  4.60577426   -2.90793175    1.81382253
 C                  3.44840845   -3.07435686    0.94825060
 C                  2.30413686   -2.29399553    1.15178586
 C                  1.56050104   -1.75136989    0.04331239
 C                  0.81682862   -0.49876601    0.47665054
 C                  0.81404456    0.69824958   -0.57906580
 C                  1.50093256    1.97460004   -0.12068131
 C                  2.25441347    2.54571499   -1.20184340
 C                  3.35979903    3.36732039   -0.95727260
 C                  7.10168479    2.29144273    1.30022339
 C                  5.77967983    1.52141034   -3.04684431
 C                  6.89041159    1.67922776   -2.21591650
 C                  7.62554342    0.51412219   -1.75632173
 C                  7.22211574   -0.76436935   -2.14560368
 C                  6.06668623   -0.92909287   -3.00610729
 C                  3.90541088    0.16900773   -3.47442514
 C                  3.43152767    1.47666095   -3.08934344
 C                  4.58689132    2.31973585   -2.82381342
 C                  4.55190227    3.24451435   -1.78111645
 C                  5.70713442    3.41114707   -0.91593625
 C                  6.85373061    2.64401039   -1.12844056
 C                  8.04478311    0.75798250   -0.38637768
 C                  8.04820696   -0.28596252    0.53979137
 C                  7.63277375   -1.61858009    0.13568604
 C                  7.22559879   -1.85317300   -1.17918942
 C                  6.07188433   -2.69104552   -1.44128926
 C                  5.34994620   -2.11634796   -2.56682998
 C                  3.95502753   -2.12668933   -2.57717399
 C                  3.21215047   -0.96621751   -3.03841773
 C                  2.28788774    1.58330743   -2.28985267
 C                  1.54877971    0.41729703   -1.88341565
 C                  2.01936460   -0.83342063   -2.22788683
 C                  2.03055119   -1.93670332   -1.23851656
 C                  3.22333904   -2.72187508   -1.47080696
 C                  3.92008495   -3.29311013   -0.39794951
 C                  5.37093090   -3.27014037   -0.38047503
 C                  5.79691416   -3.02955137    0.98992013
 C                  6.90351245   -2.21667872    1.24060776
 C                  7.56603213    2.07414660    0.00151046
 C                  7.57297819   -0.05953117    1.89442630
 C                  5.35757732    0.18933894   -3.44968834
 N                 -0.14859711   -3.77904244   -2.62781671
 K                 -0.53378139   -4.83503518    1.05465938

solventname=c60
eps=4.08
epsinf=3.83


