%nprocshared=8
%mem=22GB
#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                 -4.00734117    4.42942373    0.60459289
 C                 -3.06487253    4.14184433   -0.46556780
 C                 -3.53335554    3.89920716   -1.76198108
 C                 -4.96047879    3.90934462   -2.03044306
 C                 -5.86320445    4.17702908   -1.00145132
 C                 -5.37669644    4.44720735    0.34222310
 C                 -3.50832112    3.82455745    1.82736718
 C                 -2.26269329    3.15477194    1.51314476
 C                 -1.97915668    3.35874737    0.07839870
 C                 -1.39806189    2.35358067   -0.67188086
 C                 -2.93908593    2.83999176   -2.54002405
 C                 -5.24551276    2.85166376   -2.98931248
 C                 -6.42211386    2.10727238   -2.87953984
 C                 -7.36248140    2.38862282   -1.80894649
 C                 -7.08528827    3.40185358   -0.88673819
 C                 -7.35881212    3.19742465    0.52426446
 C                 -6.30435351    3.84626747    1.28691761
 C                 -5.82871295    3.26313407    2.46079293
 C                 -4.40352095    3.25341979    2.74024908
 C                 -1.96385921    1.94332918    2.10810992
 C                 -2.87534886    1.35269014    3.06024040
 C                 -4.07948122    1.98926606    3.37205436
 C                 -5.29615100    1.21139448    3.48199300
 C                 -6.38179535    1.99563141    2.91816995
 C                 -7.38783298    1.37040793    2.18272182
 C                 -7.88927874    1.98364569    0.96303361
 C                 -8.16872158    0.92700851    0.00778050
 C                 -7.91237248    1.12584601   -1.35176951
 C                 -3.99407414    2.18893960   -3.30245271
 C                 -5.74709929   -1.81785619   -1.85988496
 C                 -4.86100958   -1.23502208   -2.76569277
 C                 -3.43216620   -1.24017978   -2.49194193
 C                 -2.94796637   -1.80959530   -1.30927344
 C                 -3.86896587   -2.41908864   -0.36631033
 C                 -6.17785463   -2.15163787    0.42325814
 C                 -7.26751663   -1.36489684   -0.12741504
 C                 -6.99938725   -1.15880500   -1.54319669
 C                 -7.31610449    0.06272892   -2.14207516
 C                 -6.39525965    0.67009413   -3.08680884
 C                 -5.19008805    0.03294902   -3.39325906
 C                 -2.88443391    0.01571280   -2.94251599
 C                 -1.88321748    0.63631949   -2.18725662
 C                 -1.36030149    0.01541271   -1.00179758
 C                 -1.86708382   -1.19204521   -0.58919548
 C                 -3.38825572   -2.19670476    0.96518633
 C                 -4.27874830   -1.89454808    1.97855259
 C                 -5.69996552   -1.88011321    1.71122683
 C                 -7.83612821   -0.34151711    0.63042982
 C                 -7.34838084   -0.06732418    1.97395423
 C                 -6.30131618   -0.82077977    2.50335803
 C                 -5.25241934   -0.17382383    3.27483457
 C                 -3.99839808   -0.82767008    2.96403436
 C                 -2.84119029   -0.07851551    2.83948300
 C                 -1.87462185   -0.33613240    1.76962293
 C                 -1.38033670    0.85667515    1.31518042
 C                 -0.79724850    1.08345134   -0.05415194
 C                 -3.96641170    0.80823559   -3.50384053
 C                 -1.90568035    2.07444221   -1.98372427
 C                 -5.24277492   -2.42944052   -0.63937860
 C                 -1.95572528   -1.58705999    0.90702784
 C                  4.53450622    4.45192725   -0.69529200
 C                  5.93997717    4.14900835   -0.84861790
 C                  6.39684465    3.37674244   -1.92412300
 C                  5.43776597    2.84229815   -2.87132206
 C                  4.07418891    3.10881514   -2.71894659
 C                  3.59933535    3.92617724   -1.60583774
 C                  4.22441959    4.41798872    0.72197783
 C                  5.44646763    4.12121106    1.45144221
 C                  6.51098784    3.95226085    0.47750405
 C                  7.49301499    2.98343337    0.68037256
 C                  7.41322915    2.36238312   -1.70461349
 C                  5.87471997    1.50785636   -3.25745006
 C                  4.93617329    0.50082890   -3.49185770
 C                  3.52047948    0.78489024   -3.33798660
 C                  3.10242589    2.06471680   -2.95183504
 C                  2.03154542    2.23156329   -1.98331157
 C                  2.32562016    3.41686393   -1.17021443
 C                  2.04967549    3.33557381    0.20824891
 C                  3.01393976    3.88600753    1.16400647
 C                  5.40373475    3.31045268    2.58691901
 C                  4.13703208    2.76090071    3.04197446
 C                  2.97023335    3.04834518    2.33651268
 C                  1.97774477    2.00005104    2.07896137
 C                  1.37776932    2.23194659    0.81014491
 C                  0.81329261    1.09847020   -0.01947254
 C                  1.40682681    1.12039870   -1.44360059
 C                  1.88272748   -0.18846867   -1.79812802
 C                  2.89033207   -0.37547943   -2.75411204
 C                  7.09942791    1.21146674   -2.53872693
 C                  5.09730774   -2.50343624   -0.67974615
 C                  6.31558533   -1.97589247   -1.11618827
 C                  7.26452911   -1.44590101   -0.15164057
 C                  6.96238223   -1.46705334    1.21344184
 C                  5.69422308   -2.00681309    1.66580386
 C                  3.36637209   -2.22978656    0.89024518
 C                  2.80896494   -2.03187079   -0.42753826
 C                  3.87759278   -2.20044826   -1.40525745
 C                  3.91727249   -1.39174564   -2.53950426
 C                  5.18237330   -0.84590832   -2.99700733
 C                  6.35871959   -1.13115051   -2.29869867
 C                  7.90043405   -0.28127809   -0.74095786
 C                  8.19407943    0.82605850    0.06062598
 C                  7.88488108    0.80532287    1.47941053
 C                  7.27479885   -0.31460523    2.04612635
 C                  6.21372840   -0.15598629    3.02566481
 C                  5.22920926   -1.19123963    2.78086736
 C                  3.86508078   -0.91258300    2.91827873
 C                  2.92157344   -1.43591308    1.95725191
 C                  1.84464559   -1.03191427   -0.61143301
 C                  1.34343520   -0.25665276    0.48808586
 C                  1.89613052   -0.42780984    1.74646473
 C                  2.18226212    0.71304242    2.61983323
 C                  3.41486849    0.42295868    3.30539360
 C                  4.37559621    1.42140488    3.54996795
 C                  5.78094253    1.12835247    3.38202850
 C                  6.42356421    2.29737428    2.79547173
 C                  7.44807045    2.13869295    1.86318698
 C                  7.33543535   -0.08138338   -2.06354943
 C                  7.95672755    2.17085279   -0.43338464
 C                  4.78218750   -2.52381353    0.74167330
 C                 -0.93545006   -2.58717073    1.26706022
 N                 -0.15671014   -3.40606870    1.53223373
 K                  2.07472782   -5.21724328    1.62531552
 N                 -0.10108370   -7.03424658    2.38937248
 K                 -2.59743480   -5.74885832    1.98456454
 C                 -0.04492627   -7.80202537    1.49500576
 C                 -2.34165476   -5.54325657   -0.87118127
 K                 -0.00967014   -7.84622048   -1.41148645
 K                  0.23806124   -3.58769744   -2.54626935
 N                 -1.73550468   -5.42516551   -1.87530972
 C                  2.18608264   -5.75250365   -1.08895989
 N                  2.15578937   -5.79275467   -2.26763454

solventname=c60
eps=4.08
epsinf=3.83


