%nprocshared=36
%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                 -3.98932711   -1.47553336    3.26944217
 C                 -3.14054549   -0.29403618    3.23150039
 C                 -3.70784206    0.97871511    3.36980887
 C                 -5.14637130    1.11799923    3.52653960
 C                 -5.95772410   -0.01551935    3.55651746
 C                 -5.36755176   -1.33949352    3.42896322
 C                 -3.45495553   -2.44790006    2.33117431
 C                 -2.28446896   -1.86544849    1.70868904
 C                 -2.08197090   -0.52264453    2.27639447
 C                 -1.63864282    0.51146624    1.47005144
 C                 -3.24655565    2.05412864    2.52731872
 C                 -5.56761170    2.29498640    2.78362275
 C                 -6.78558153    2.29134599    2.09895871
 C                 -7.63179749    1.11081759    2.13117792
 C                 -7.22464653   -0.01986775    2.84439319
 C                 -7.42069487   -1.34490436    2.27996216
 C                 -6.27370275   -2.16243975    2.64178611
 C                 -5.76496749   -3.09503339    1.73957352
 C                 -4.32971114   -3.24582552    1.58217773
 C                 -2.03566943   -2.08980031    0.36316720
 C                 -2.92565140   -2.92086010   -0.41225271
 C                 -4.05924170   -3.49037194    0.17673285
 C                 -5.31968117   -3.49023314   -0.53676656
 C                 -6.37884054   -3.24499382    0.42654769
 C                 -7.47326823   -2.45652679    0.07735951
 C                 -8.00819532   -1.48793076    1.02233330
 C                 -8.42373512   -0.31347846    0.27683136
 C                 -8.24161451    0.96228278    0.82321281
 C                 -4.39020659    2.87317821    2.16408812
 C                 -6.33298828    2.40666138   -1.98543859
 C                 -5.46452344    3.18916801   -1.22716086
 C                 -4.02630236    3.04616644   -1.38157338
 C                 -3.50419370    2.10241988   -2.27433591
 C                 -4.40944323    1.28239090   -3.06180737
 C                 -6.63941044    0.26641408   -2.89951095
 C                 -7.70138877    0.49911882   -1.93555818
 C                 -7.51248160    1.82579610   -1.37061058
 C                 -7.77782171    2.05164959   -0.01834687
 C                 -6.87658190    2.87285095    0.77297632
 C                 -5.74141536    3.43281638    0.17882229
 C                 -3.42025986    3.19176585   -0.08416300
 C                 -2.32857505    2.38474799    0.25270659
 C                 -1.76742374    1.45589392   -0.69248084
 C                 -2.33282386    1.33797737   -1.94053085
 C                 -3.83231428   -0.01548539   -3.23164995
 C                 -4.63296149   -1.13961260   -3.17299570
 C                 -6.06225665   -1.00189330   -3.01034426
 C                 -8.14531724   -0.54807796   -1.12764030
 C                 -7.55419301   -1.87049381   -1.25207654
 C                 -6.53341523   -2.09358531   -2.17567499
 C                 -5.39158829   -2.92220656   -1.82123427
 C                 -4.21431319   -2.34677674   -2.42926101
 C                 -3.01426001   -2.32748640   -1.73264653
 C                 -2.14318379   -1.15410621   -1.74328602
 C                 -1.58649509   -0.99173318   -0.49448190
 C                 -1.08332535    0.30583835    0.06288997
 C                 -4.47501768    3.43378672    0.88788870
 C                 -2.24104054    1.80607043    1.58212382
 C                 -5.79569516    1.43673447   -2.92817286
 C                 -2.36614702   -0.00195157   -2.71660850
 C                 -1.39607133   -0.10529422   -3.82423773
 C                  4.13644675    0.40559710    3.58245607
 C                  5.53074697    0.75716774    3.37684829
 C                  5.90406693    2.03989304    2.94867852
 C                  4.88439738    3.02875736    2.67353611
 C                  3.53216317    2.68884580    2.83487127
 C                  3.13547287    1.37731467    3.31428618
 C                  3.94536629   -0.96726443    3.20556706
 C                  5.23654582   -1.46970775    2.71478273
 C                  6.21420867   -0.40522773    2.84676626
 C                  7.23567098   -0.25962777    1.90189812
 C                  6.95033649    2.18663625    1.94932016
 C                  5.29911971    3.78671440    1.50177397
 C                  4.35871278    4.21090867    0.56045966
 C                  2.95442307    3.87345920    0.74226956
 C                  2.55574496    3.12678545    1.85624559
 C                  1.56625441    2.07802322    1.71820379
 C                  1.92229000    0.99739944    2.64612663
 C                  1.76886428   -0.31910088    2.17948489
 C                  2.80857368   -1.33130924    2.46479080
 C                  5.32728480   -2.36163483    1.65908000
 C                  4.07024210   -3.02334044    1.01841992
 C                  2.80431899   -2.26386045    1.40301108
 C                  1.89287496   -1.77027910    0.41696681
 C                  1.18536825   -0.64050691    0.93435014
 C                  0.55177765    0.40233380    0.05738115
 C                  1.00808731    1.80968308    0.47771968
 C                  1.46003608    2.53932525   -0.67194937
 C                  2.39282381    3.57882233   -0.55294141
 C                  6.58684384    3.27724531    1.06214008
 C                  4.79202359    2.34751250   -3.08157298
 C                  5.96448181    2.72019326   -2.41554494
 C                  6.98959063    1.73131336   -2.13905368
 C                  6.80719262    0.40221036   -2.53806786
 C                  5.58602587    0.01416017   -3.22113317
 C                  3.19569651    0.63588840   -3.29909226
 C                  2.51896813    1.79798953   -2.78715872
 C                  3.50669130    2.85852226   -2.63640242
 C                  3.44437533    3.72824862   -1.55005203
 C                  4.66064996    4.11709231   -0.85758498
 C                  5.90013698    3.62935064   -1.28502499
 C                  7.55997819    2.02842211   -0.83696721
 C                  7.91095855    0.98169061    0.02215463
 C                  7.72227463   -0.39622733   -0.39281097
 C                  7.17570478   -0.68055738   -1.64209914
 C                  6.15429467   -1.73678048   -1.79554008
 C                  5.21160827   -1.31153956   -2.74985788
 C                  3.85787058   -1.61985194   -2.55314701
 C                  2.84476562   -0.63621297   -2.82705390
 C                  1.52492227    1.62461244   -1.80496152
 C                  1.10855791    0.32733907   -1.36963467
 C                  1.79151164   -0.79689623   -1.83302919
 C                  2.09694995   -1.95159647   -0.99045818
 C                  4.39043740   -2.85428991   -0.49480424
 C                  5.75438183   -2.46157031   -0.65948388
 C                  6.32955291   -2.16140491    0.64817130
 C                  7.30400790   -1.16126035    0.77814325
 C                  6.87844697    3.19579658   -0.30404827
 C                  7.61555418    1.06677166    1.44239939
 C                  4.59992805    0.96698500   -3.48924391
 N                 -0.63574774   -0.30406381   -4.68011202
 K                  0.21722788   -3.17907699   -3.05615865
 C                  3.42872302   -2.39448372   -1.39342256
 C                  3.99428113   -4.45853483    1.37747772
 N                  3.96172756   -5.58955599    1.65294410
 K                  7.63143081   -5.88777510    0.84663384

solventname=c60
eps=4.08
epsinf=3.83


