%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                 -3.51374473    0.45506698   -4.44690384
 C                 -3.10101997    1.62319144   -3.67973478
 C                 -2.36566984    2.63873081   -4.30236562
 C                 -1.99601275    2.51126025   -5.70063305
 C                 -2.38897048    1.39090654   -6.43452063
 C                 -3.16142219    0.34080305   -5.79115168
 C                 -3.42970029   -0.70432013   -3.57529166
 C                 -2.96307590   -0.24596694   -2.27683338
 C                 -2.78002441    1.19091365   -2.33496039
 C                 -1.68231219    1.76111962   -1.65966384
 C                 -1.24360809    3.23823570   -3.60254910
 C                 -0.65694101    3.05628933   -5.87230199
 C                  0.23392974    2.45297618   -6.76397341
 C                 -0.17461293    1.28674206   -7.52750457
 C                 -1.45852744    0.76247669   -7.35647482
 C                 -1.65931670   -0.67463927   -7.29005641
 C                 -2.71079600   -0.93703287   -6.32055722
 C                 -2.62703234   -2.04849880   -5.48264791
 C                 -2.99493678   -1.93038926   -4.08238133
 C                 -2.07234947   -1.03982544   -1.55216566
 C                 -1.62620723   -2.30663404   -2.07034501
 C                 -2.07480680   -2.75466124   -3.31482039
 C                 -1.15491932   -3.39288807   -4.23240574
 C                 -1.48322396   -2.94676388   -5.57020127
 C                 -0.47748348   -2.69925996   -6.51040344
 C                 -0.56487904   -1.53664736   -7.37569773
 C                  0.77463849   -0.99313504   -7.54770394
 C                  0.96373157    0.38944341   -7.61918297
 C                 -0.19010209    3.50124564   -4.57382211
 C                  3.42593685    0.67306481   -4.88332021
 C                  2.99514609    1.89653620   -4.37757103
 C                  2.62828162    2.01568304   -2.97155919
 C                  2.68787618    0.89323877   -2.13495206
 C                  3.13923884   -0.38487156   -2.66276008
 C                  3.10379534   -1.64987577   -4.76179597
 C                  2.76570926   -1.22148938   -6.10709095
 C                  2.96315088    0.21792656   -6.18209511
 C                  2.07997722    1.00637742   -6.92307210
 C                  1.62841459    2.28264698   -6.39428838
 C                  2.07901417    2.71974578   -5.14652098
 C                  1.49445390    2.90470285   -2.87754903
 C                  0.48087916    2.64091642   -1.94833687
 C                  0.56926328    1.48319417   -1.07747341
 C                  1.68211736    0.65924977   -1.13275618
 C                  2.42608710   -1.44508018   -2.00544788
 C                  1.99343485   -2.53627753   -2.73579454
 C                  2.34967424   -2.64993513   -4.13678667
 C                  1.68749261   -1.80984820   -6.77106590
 C                  0.91219696   -2.85905740   -6.12416170
 C                  1.23898655   -3.26498076   -4.82912748
 C                  0.19173157   -3.53716663   -3.85032254
 C                  0.65821153   -3.12781844   -2.55102553
 C                 -0.22438035   -2.46507789   -1.68183499
 C                  0.15254147   -1.36354433   -0.84771726
 C                 -0.93549293   -0.43666345   -0.85942400
 C                 -0.78506934    0.95996596   -0.87060257
 C                  1.15136003    3.34607297   -4.21785479
 C                 -0.90919154    2.81384833   -2.31528844
 C                  3.51161204   -0.48984770   -4.00854665
 C                  1.60297172   -0.86561133   -0.82069026
 C                  2.24535446   -1.17002725    0.47955989
 N                  2.70101810   -1.39484489    1.52711337
 K                  3.06186643   -1.76458139    4.51448440
 K                  2.99365798    2.09694778    1.81754188
 N                  3.26856298    1.24148721    4.43103850
 C                 -0.36140215   -1.91865410    5.85926986
 C                  0.20035847    2.19120463    2.35391847
 C                  3.65808949    1.36690012    5.53708184
 N                  0.19378862   -1.69149325    4.84660294
 N                 -0.36036995    1.15772107    2.43439046
 K                  0.14184456    1.46759918    5.41332084
 K                 -0.74359236   -1.69715720    2.18075775
 C                  3.40304349   -2.20191425    7.37792860
 N                  2.96716074   -1.86864022    8.42331120
 C                  1.16256604    1.63237129    8.72681738
 N                  0.04318432    1.50317338    8.37797001
 K                  3.94577884    0.87518155    8.40142610
 K                  0.11946806   -1.63330394    8.77465350
 N                 -2.65053799   -1.09550918    9.42723698
 C                 -3.38503540   -1.41282493    8.55971956
 K                 -2.70090144    1.76586621    8.93628126
 K                 -3.46738503   -1.39482298    5.62840685
 C                 -3.07004856    1.91044165    6.03120378
 N                 -3.07234260    1.69756746    4.87177462
 K                 -3.16923872    1.69363411    2.03647060
 C                 -4.10521030   -1.05941014    2.08234487
 N                 -3.50916639   -1.77446238    2.80826678

solventname=c60
eps=4.08
epsinf=3.83




