%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                 -3.34961288   -0.81955535   -3.44848089
 C                 -3.55327750    0.38243813   -2.65360631
 C                 -3.14177084    1.62219575   -3.14903641
 C                 -2.49727938    1.70627018   -4.44858236
 C                 -2.30042345    0.55340526   -5.20972686
 C                 -2.73496547   -0.73549042   -4.69781271
 C                 -3.00645839   -1.90283812   -2.54319951
 C                 -2.99654367   -1.36553328   -1.19199602
 C                 -3.34773850    0.04216156   -1.25811430
 C                 -2.71163871    0.95025074   -0.40198652
 C                 -2.48373861    2.56612695   -2.26288472
 C                 -1.44890137    2.71185326   -4.37017298
 C                 -0.24628709    2.52148799   -5.05326726
 C                 -0.04126357    1.32107323   -5.84660706
 C                 -1.04681145    0.35528535   -5.91801512
 C                 -0.70865379   -1.05619214   -5.84879132
 C                 -1.75140247   -1.73098563   -5.09347058
 C                 -1.42200981   -2.77061383   -4.22386103
 C                 -2.06208543   -2.85796877   -2.92225368
 C                 -2.03844894   -1.81003358   -0.27967358
 C                 -1.05982550   -2.80068623   -0.67146038
 C                 -1.06783191   -3.32102763   -1.96771650
 C                  0.17996815   -3.52836822   -2.67534330
 C                 -0.03396370   -3.17854564   -4.06752767
 C                  0.96695818   -2.53385861   -4.79708458
 C                  0.62222844   -1.44840921   -5.69942647
 C                  1.67050870   -0.44356662   -5.62192230
 C                  1.34449612    0.91236092   -5.69240167
 C                 -1.43887018    3.24104189   -3.01812948
 C                  2.95769001    1.95455565   -2.53810142
 C                  2.01580779    2.91011504   -2.16044916
 C                  1.37222834    2.82162826   -0.85665130
 C                  1.68784379    1.76534837    0.00414331
 C                  2.67388646    0.76974501   -0.38592926
 C                  3.50485963   -0.32843801   -2.41983781
 C                  3.28959985    0.00901901   -3.81626922
 C                  2.95026058    1.42116482   -3.88925714
 C                  1.99781402    1.86368274   -4.80909268
 C                  1.01448063    2.85874074   -4.41469061
 C                  1.02374500    3.37222743   -3.11632481
 C                 -0.01054035    3.22697342   -1.00916128
 C                 -1.01095185    2.57025725   -0.28848826
 C                 -0.66900040    1.48838457    0.61629966
 C                  0.65707571    1.10530014    0.77173061
 C                  2.26407659   -0.51000973    0.14217353
 C                  2.44119074   -1.65262193   -0.62450912
 C                  3.07729963   -1.56369757   -1.92631299
 C                  2.65875979   -0.90353530   -4.66279790
 C                  2.22274426   -2.19378808   -4.15061773
 C                  2.42797577   -2.51470478   -2.80791051
 C                  1.38787795   -3.19460598   -2.04772349
 C                  1.40694235   -2.68604521   -0.69473691
 C                  0.20044389   -2.45194875   -0.02814312
 C                 -0.00614274   -1.28055541    0.78958162
 C                 -1.36817335   -0.85730149    0.59975947
 C                 -1.73979175    0.49691635    0.57177458
 C                 -0.22892881    3.56931782   -2.40426414
 C                 -2.27292858    2.23914538   -0.92189112
 C                  3.30215920    0.86767057   -1.63107400
 C                  1.05209297   -0.32174549    1.00183259
 C                  1.45995857   -0.30871236    2.45897021
 N                  1.73174584   -0.27985735    3.59289614
 K                  1.95815588    0.03600885    6.38354365
 K                  1.67339158    3.15721937    2.96246630
 N                  2.30688141    2.97890958    5.89861652
 C                 -1.49777539   -0.93099442    6.47898236
 C                 -1.16538166    3.45867204    3.27364898
 C                  1.39249202    3.47890060    6.45234046
 N                 -1.58945973    0.24280022    6.43910801
 N                 -2.10550171    3.01660571    3.83283794
 K                 -1.57141111    3.31394569    6.79856455
 K                 -1.46906322   -3.76513683    6.29274450
 K                 -1.90668768    0.18348194    3.68168954
 N                 -2.45128726   -2.59650724    3.42863905
 C                 -1.43146533   -3.12456533    3.15834567
 K                  1.37657168   -3.20699918    2.47442427
 N                  2.32518496   -3.54524811    5.41549065
 C                  2.22056267   -2.90157273    6.39581227

solventname=c60
eps=4.08
epsinf=3.83


