%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                 -3.56133183    4.00421600    1.94179231
 C                 -2.83193053    4.26569528    0.71273863
 C                 -3.53058516    4.60173830   -0.45243436
 C                 -4.98092270    4.67217599   -0.43622346
 C                 -5.67806173    4.41695355    0.74611347
 C                 -4.95314649    4.08278506    1.96173860
 C                 -2.88017812    2.93969558    2.65763056
 C                 -1.72950388    2.53638094    1.88346609
 C                 -1.69806374    3.36805643    0.65666365
 C                 -1.29323272    2.83703784   -0.55079505
 C                 -3.12491143    4.02499350   -1.71171061
 C                 -5.47098813    4.13731233   -1.69680331
 C                 -6.63688687    3.36830304   -1.72135639
 C                 -7.36382617    3.10932033   -0.49126087
 C                 -6.89122411    3.62201756    0.71881847
 C                 -6.92361778    2.80385372    1.92167084
 C                 -5.72760290    3.08888728    2.69030319
 C                 -5.07626542    2.06432871    3.37919351
 C                 -3.62728900    1.99067121    3.36867641
 C                 -1.37274723    1.20518057    1.83286602
 C                 -2.15673097    0.22434740    2.52115518
 C                 -3.25637021    0.59794254    3.29984492
 C                 -4.46941349   -0.20667265    3.28866928
 C                 -5.59533297    0.70383865    3.32247208
 C                 -6.75016177    0.43042471    2.58287099
 C                 -7.42010352    1.49920966    1.86518086
 C                 -7.90353228    0.96332232    0.60296034
 C                 -7.87634442    1.75067876   -0.54938239
 C                 -4.32150735    3.73476640   -2.48688844
 C                 -5.94259811   -0.57277231   -2.66525424
 C                 -5.20691590    0.38587343   -3.36505396
 C                 -3.75590648    0.32458460   -3.36848984
 C                 -3.09034154   -0.68335225   -2.66020172
 C                 -3.86097718   -1.67379708   -1.92933122
 C                 -5.99273784   -1.90073444   -0.72455553
 C                 -7.12594022   -0.99546119   -0.67830558
 C                 -7.09491159   -0.17432630   -1.88006501
 C                 -7.46552459    1.17050224   -1.81672501
 C                 -6.70117762    2.17017340   -2.54208504
 C                 -5.59410361    1.78529689   -3.30199116
 C                 -3.24909224    1.67395845   -3.31505118
 C                 -2.10642599    1.94089588   -2.55605132
 C                 -1.40416003    0.88720175   -1.86980374
 C                 -1.88942957   -0.39707685   -1.91337319
 C                 -3.14297655   -2.01686370   -0.72752309
 C                 -3.84827765   -2.27875340    0.44738364
 C                 -5.29971944   -2.21185200    0.44835820
 C                 -7.52324657   -0.43725153    0.53781975
 C                 -6.80659018   -0.76512990    1.75962530
 C                 -5.71723492   -1.63844633    1.71544057
 C                 -4.51756024   -1.35280635    2.48908019
 C                 -3.36588488   -1.78102466    1.71719444
 C                 -2.21668864   -0.96804453    1.68251495
 C                 -1.43139975   -0.76109576    0.51287260
 C                 -0.69045584    0.56923048    0.63588407
 C                 -0.65021916    1.46107409   -0.68088555
 C                 -4.38125430    2.58512452   -3.27393355
 C                 -2.04111395    3.14024599   -1.74061524
 C                 -5.25962627   -1.63798087   -1.94819251
 C                 -1.82177776   -1.33358002   -0.73102657
 C                 -0.84982840   -2.52548782   -1.23038540
 C                  3.96238987    1.83294123    3.33142354
 C                  5.41313091    1.77870429    3.33836338
 C                  6.15011957    2.70565797    2.59897337
 C                  5.46478276    3.72673966    1.82236884
 C                  4.07125397    3.76785609    1.80456773
 C                  3.30088448    2.80291923    2.56935011
 C                  3.46391632    0.47851481    3.33681234
 C                  4.60329696   -0.42806477    3.34848572
 C                  5.81063414    0.37968829    3.34878335
 C                  6.92661575   -0.03399166    2.61854115
 C                  7.31079831    2.27610177    1.84411372
 C                  6.21213490    3.93629794    0.59222297
 C                  5.53491912    4.19337080   -0.60117605
 C                  4.08441421    4.25142302   -0.61496843
 C                  3.36358755    4.03400665    0.56502349
 C                  2.15401208    3.24065530    0.55179004
 C                  2.11345151    2.46455978    1.81456688
 C                  1.62129272    1.17577322    1.83942379
 C                  2.32641058    0.16568475    2.58444872
 C                  4.55923691   -1.61775885    2.62220562
 C                  3.37236160   -1.95367157    1.85059815
 C                  2.28355464   -1.07296102    1.82498010
 C                  1.55167022   -0.82833899    0.60963729
 C                  0.89362924    0.53942397    0.66376746
 C                  0.93272227    1.38277239   -0.69226265
 C                  1.70314182    2.69084695   -0.62924819
 C                  2.46437318    2.87223387   -1.83491945
 C                  3.62414181    3.65395558   -1.84551826
 C                  7.34955800    3.03712436    0.60351237
 C                  5.87630940    1.12852682   -3.32420820
 C                  7.01452122    1.44783025   -2.58143739
 C                  7.68973349    0.42063459   -1.80806157
 C                  7.19928882   -0.88669243   -1.80572239
 C                  6.01494861   -1.21811834   -2.57337464
 C                  3.91333038   -0.16443930   -3.32734386
 C                  3.52923383    1.22663359   -3.33676182
 C                  4.73972546    2.03354863   -3.33506873
 C                  4.78611574    3.22045802   -2.60531736
 C                  5.97034588    3.55502421   -1.83341175
 C                  7.06311037    2.68661849   -1.82118701
 C                  8.15582602    1.02263839   -0.57038488
 C                  8.11914637    0.29373598    0.61880537
 C                  7.61485617   -1.06911683    0.62240539
 C                  7.16114472   -1.64748110   -0.56470801
 C                  5.95319104   -2.44966854   -0.56503007
 C                  5.23939890   -2.17936406   -1.80434286
 C                  3.84641456   -2.10228601   -1.80145602
 C                  3.16443109   -1.07719520   -2.57530081
 C                  2.41446857    1.63482827   -2.59523621
 C                  1.61913368    0.68701957   -1.86189445
 C                  2.00398490   -0.63764856   -1.83041962
 C                  1.97139514   -1.41029045   -0.56594251
 C                  3.10866476   -2.30435960   -0.56608906
 C                  3.79562629   -2.58409561    0.62152954
 C                  5.24550964   -2.64995387    0.62296489
 C                  5.71950314   -2.04978621    1.86094876
 C                  6.87897631   -1.27262161    1.85812926
 C                  7.76760246    2.42322127   -0.57887457
 C                  7.69207975    0.93311446    1.85192393
 C                  5.36434086   -0.23274936   -3.31929586
 N                 -0.16013258   -3.42220933   -1.55973980
 K                  1.72114319   -5.25682869   -1.43418760
 N                  1.60316037   -5.50948995    1.43447247
 C                 -0.22076535   -7.24364049   -2.24657251
 K                 -0.44657108   -3.60705336    2.02527565
 C                  1.19494933   -6.60497837    1.59466253
 N                 -1.27572835   -7.60562185   -1.86114190
 C                 -2.67772664   -5.42175905    1.94729553
 K                 -1.10486123   -8.26726076    0.94559691
 K                 -2.99117594   -5.35195943   -1.44035747
 N                 -3.14218611   -6.25354828    1.25151910

solventname=c60
eps=4.08
epsinf=3.83



