%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                 -4.17356740    2.35039644    3.23554604
 C                 -3.44645904    3.19044831    2.29823923
 C                 -4.14402854    4.04482716    1.43699972
 C                 -5.59456723    4.07322837    1.46561236
 C                 -6.29207097    3.26114664    2.36145833
 C                 -5.56682765    2.38545066    3.26749358
 C                 -3.47183930    1.08262860    3.35368989
 C                 -2.31802109    1.13251358    2.48954229
 C                 -2.29820183    2.45258738    1.82440534
 C                 -1.88418302    2.57448269    0.51361640
 C                 -3.71924902    4.16164551    0.06291279
 C                 -6.06717287    4.21789695    0.09638181
 C                 -7.21892461    3.54566456   -0.31893149
 C                 -7.94484054    2.70249480    0.61487385
 C                 -7.48717656    2.56107915    1.92765850
 C                 -7.50674334    1.25898429    2.57152069
 C                 -6.32189050    1.14920362    3.40253940
 C                 -5.65123902   -0.07015990    3.51375637
 C                 -4.20202178   -0.10876420    3.49875160
 C                 -1.93425169    0.00598685    1.77851835
 C                 -2.67692453   -1.22676890    1.92202087
 C                 -3.79563248   -1.28721330    2.76150356
 C                 -4.98847893   -1.98923062    2.32495438
 C                 -6.13961635   -1.23421061    2.78468415
 C                 -7.27624879   -1.12543595    1.98233374
 C                 -7.97607243    0.14314728    1.87395782
 C                 -8.44134883    0.28781955    0.50689485
 C                 -8.42949441    1.54229713   -0.11079979
 C                 -4.90483071    4.26998185   -0.77050076
 C                 -6.44953730    0.59302665   -3.07435570
 C                 -5.72389928    1.77989692   -3.19535444
 C                 -4.27227993    1.75140937   -3.21591928
 C                 -3.58619060    0.53700324   -3.09564278
 C                 -4.34416718   -0.69737742   -2.96294605
 C                 -6.47087377   -1.51221360   -2.03795881
 C                 -7.62589093   -0.77070194   -1.56594089
 C                 -7.61188006    0.53489695   -2.21047344
 C                 -8.00580748    1.66796718   -1.49391125
 C                 -7.25663287    2.90594197   -1.62283107
 C                 -6.13738546    2.96096109   -2.45747293
 C                 -3.79063638    2.90003738   -2.49304987
 C                 -2.65410255    2.77185417   -1.68690606
 C                 -1.92319375    1.53409522   -1.61476097
 C                 -2.37535102    0.44359371   -2.32707096
 C                 -3.63395703   -1.58652355   -2.09921675
 C                 -4.32137349   -2.36887332   -1.18675354
 C                 -5.76629435   -2.34213938   -1.15842857
 C                 -8.02923475   -0.88890041   -0.23584970
 C                 -7.30345612   -1.76147772    0.67570786
 C                 -6.19438914   -2.47574643    0.22434932
 C                 -5.00999138   -2.59465157    1.06068807
 C                 -3.84645264   -2.54217133    0.20176451
 C                 -2.71816258   -1.84581824    0.61239583
 C                 -1.96326550   -0.99191000   -0.30122533
 C                 -1.51547725    0.11291504    0.38002504
 C                 -1.18556573    1.44263159   -0.27480892
 C                 -4.93906688    3.65728074   -2.02369480
 C                 -2.62002799    3.41358548   -0.38240829
 C                 -5.74639164   -0.67310861   -2.96261731
 C                 -2.22049043   -1.00425691   -1.80644526
 C                  3.67486465    2.65506156    3.38836860
 C                  5.08471636    2.95403308    3.21027671
 C                  5.50280991    4.07067645    2.47219536
 C                  4.51905012    4.92797806    1.84547547
 C                  3.15862057    4.62857908    1.98191848
 C                  2.71140163    3.49627791    2.77527108
 C                  3.50600190    1.22635566    3.40478909
 C                  4.83312490    0.62332253    3.18469182
 C                  5.79913166    1.70046771    3.09005822
 C                  6.89898316    1.59267429    2.23053988
 C                  6.63278026    3.94955842    1.56495522
 C                  5.04020728    5.33514638    0.54826038
 C                  4.18696675    5.46483634   -0.54957969
 C                  2.77182411    5.17092587   -0.40005739
 C                  2.27254874    4.75816535    0.84071157
 C                  1.28886479    3.69868936    0.91647443
 C                  1.55691046    2.92635053    2.14156488
 C                  1.43186276    1.52866458    2.06499506
 C                  2.42768736    0.65391670    2.71430685
 C                  5.01449956   -0.53071394    2.43989171
 C                  3.80908230   -1.35861049    1.90121140
 C                  2.51170227   -0.54600700    1.95536213
 C                  1.72219812   -0.34338992    0.78429483
 C                  0.95458539    0.86285383    0.91012492
 C                  0.38608159    1.61657747   -0.28899815
 C                  0.83324951    3.09204961   -0.24247038
 C                  1.39152769    3.47221303   -1.50636754
 C                  2.32017718    4.51623423   -1.60345028
 C                  6.35560870    4.74471584    0.38064101
 C                  4.91469070    2.66388684   -3.47115942
 C                  6.02845279    3.22787614   -2.84081496
 C                  7.01786833    2.37251474   -2.21051279
 C                  6.85657669    0.98295679   -2.23434693
 C                  5.69817888    0.39853109   -2.88328887
 C                  3.32367695    0.93672307   -3.33720914
 C                  2.61878082    2.18323532   -3.23059717
 C                  3.59942693    3.25881946   -3.29722102
 C                  3.45428159    4.39947845   -2.51092720
 C                  4.60943425    4.98488958   -1.85476646
 C                  5.87690176    4.41699792   -2.01998527
 C                  7.47632238    3.03050711   -1.00091294
 C                  7.74341151    2.26874715    0.14282584
 C                  7.57921250    0.82829046    0.11642837
 C                  7.13902944    0.19736517   -1.04378931
 C                  6.16680730   -0.88573742   -0.97074123
 C                  5.27394167   -0.74840739   -2.09314254
 C                  3.90388690   -1.00847488   -1.93813886
 C                  2.91610998   -0.16618324   -2.56543910
 C                  1.54278288    2.27325575   -2.32391772
 C                  1.07090422    1.14378704   -1.58550193
 C                  1.78007930   -0.05690383   -1.65595096
 C                  2.03931415   -0.89630636   -0.49268970
 C                  3.37843731   -1.41645611   -0.64503209
 C                  4.25677755   -1.60833521    0.42819526
 C                  5.63337041   -1.26055809    0.27970014
 C                  6.09711140   -0.60359722    1.49734344
 C                  7.05616382    0.41362799    1.41679700
 C                  6.76360708    4.28943290   -0.87836706
 C                  7.32575193    2.74262245    1.45195291
 C                  4.74355751    1.22199190   -3.48946964
 C                 -1.18525776   -1.79640438   -2.49090849
 N                 -0.38964870   -2.49395018   -2.96635577
 K                  2.02066380   -3.80609635   -3.66542133
 N                  2.60833891   -4.68488314   -1.01769959
 K                  0.67244935   -3.36696011    0.51750415
 C                  3.35296906   -5.59071158   -0.95915759
 C                 -0.66322176   -5.76912089    1.49253297
 K                  1.40865456   -7.79560064   -0.64359876
 K                 -2.59960128   -5.51708857   -1.75451847
 N                 -1.11662074   -6.29567448    0.54100287
 C                 -0.33209051   -6.26351706   -3.26993635
 N                  0.78426979   -6.36911349   -3.63295788
 C                  3.62744366   -2.65104810    2.60344639
 N                  3.42410119   -3.69227958    3.08891868
 K                  5.29621376   -5.35161803    1.12013762
 N                  3.91306780   -7.50325470    2.07572487
 C                  2.80755851   -7.90307137    1.99774812
 K                  1.49528388   -5.92768243    3.66891944

solventname=c60
eps=4.08
epsinf=3.83


