%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

-1 2
 C                 -3.97117765    4.40958667    0.63546453
 C                 -3.04781594    4.12452540   -0.45219672
 C                 -3.53845186    3.89975193   -1.74382885
 C                 -4.96948578    3.92621343   -1.98990774
 C                 -5.85369615    4.19103191   -0.94452310
 C                 -5.34431809    4.44265542    0.39426784
 C                 -3.45973378    3.78650614    1.84383612
 C                 -2.22590657    3.10779058    1.50336023
 C                 -1.96203573    3.32454023    0.06688041
 C                 -1.40221885    2.32163376   -0.70262307
 C                 -2.96604203    2.84248907   -2.54121411
 C                 -5.27883986    2.88091598   -2.95519454
 C                 -6.46088240    2.14675697   -2.83618747
 C                 -7.38173038    2.42505147   -1.74747025
 C                 -7.08174668    3.42632440   -0.81944005
 C                 -7.33526855    3.20902806    0.59353905
 C                 -6.26310623    3.83990902    1.34662126
 C                 -5.77517558    3.24005456    2.50658028
 C                 -4.34632936    3.21521250    2.76518144
 C                 -1.93051734    1.88771145    2.08147047
 C                 -2.83192188    1.29596674    3.04224730
 C                 -4.02484243    1.94100383    3.37871121
 C                 -5.24664291    1.17310535    3.49816565
 C                 -6.33289208    1.97284135    2.95920018
 C                 -7.35623113    1.36504809    2.23345411
 C                 -7.87044540    1.99561961    1.02794438
 C                 -8.17411021    0.95179685    0.06606877
 C                 -7.93685377    1.16308352   -1.29542834
 C                 -4.03888439    2.20949704   -3.29333811
 C                 -5.80718821   -1.79509204   -1.86637378
 C                 -4.92976942   -1.21206652   -2.78038747
 C                 -3.49744607   -1.23224894   -2.52750173
 C                 -3.00126756   -1.81787603   -1.35844818
 C                 -3.91253550   -2.43067702   -0.40803953
 C                 -6.20652135   -2.14995983    0.41920188
 C                 -7.29628321   -1.34623780   -0.10657290
 C                 -7.04787713   -1.12720159   -1.52366837
 C                 -7.36267884    0.10277263   -2.10572003
 C                 -6.45070228    0.71130232   -3.05837928
 C                 -5.25634574    0.06588717   -3.38918026
 C                 -2.94436719    0.02283772   -2.97342295
 C                 -1.92403931    0.62518211   -2.22886525
 C                 -1.38592839   -0.01323590   -1.05843436
 C                 -1.90356689   -1.21827547   -0.64944797
 C                 -3.40890063   -2.22847457    0.91840871
 C                 -4.28117002   -1.92664847    1.94723725
 C                 -5.70627027   -1.89647240    1.70234333
 C                 -7.84414938   -0.32597321    0.67022937
 C                 -7.33410721   -0.07081941    2.00928151
 C                 -6.28582733   -0.83931261    2.51397972
 C                 -5.21939381   -0.21031838    3.27567254
 C                 -3.97680159   -0.87302542    2.94005164
 C                 -2.81460037   -0.13366777    2.80693694
 C                 -1.86835015   -0.38880929    1.71812454
 C                 -1.37206853    0.80398694    1.26798212
 C                 -0.80400906    1.04052712   -0.10609952
 C                 -4.02732054    0.83081311   -3.50949924
 C                 -1.93131869    2.06137313   -2.00932938
 C                 -5.29039567   -2.42532868   -0.66054707
 C                 -1.97227882   -1.63037515    0.84355736
 C                  4.49299488    4.45118724   -0.73211297
 C                  5.90424440    4.16513684   -0.86350826
 C                  6.38487978    3.38645527   -1.92396098
 C                  5.44519488    2.82872293   -2.87686268
 C                  4.07657959    3.07908847   -2.74560867
 C                  3.57658134    3.90282158   -1.64886447
 C                  4.16500440    4.42909857    0.68150878
 C                  5.38087744    4.15540892    1.43011569
 C                  6.45987367    3.98984019    0.47204428
 C                  7.45191492    3.03636457    0.69871836
 C                  7.41140525    2.38813455   -1.68012795
 C                  5.90485814    1.49634380   -3.24314934
 C                  4.98251188    0.47476475   -3.47938191
 C                  3.56108974    0.74207048   -3.34710483
 C                  3.12145145    2.02004360   -2.97944289
 C                  2.03452687    2.18373567   -2.02838772
 C                  2.30346912    3.38210886   -1.22447436
 C                  2.01275179    3.31175494    0.15129495
 C                  2.95670498    3.88514289    1.11337177
 C                  5.33381491    3.35634418    2.57374758
 C                  4.06837345    2.79592876    3.01920596
 C                  2.90840479    3.05985264    2.29437326
 C                  1.93385215    1.99544127    2.03491544
 C                  1.35009606    2.20481858    0.75579823
 C                  0.80703861    1.05720227   -0.06808444
 C                  1.41553969    1.07034828   -1.48537373
 C                  1.91432713   -0.23647272   -1.81840342
 C                  2.93918302   -0.41947017   -2.75748629
 C                  7.12360463    1.22402661   -2.50536853
 C                  5.14477472   -2.49607231   -0.63195903
 C                  6.36139427   -1.95655980   -1.05774246
 C                  7.29149819   -1.40479176   -0.08724259
 C                  6.97171118   -1.41503542    1.27388796
 C                  5.70437314   -1.96585359    1.71535886
 C                  3.38972512   -2.22810561    0.91178937
 C                  2.84754492   -2.05151085   -0.41513790
 C                  3.93057434   -2.21691086   -1.37659883
 C                  3.97559247   -1.41960499   -2.51826839
 C                  5.23939029   -0.86328723   -2.96652140
 C                  6.40947472   -1.12467088   -2.24883189
 C                  7.92051501   -0.23838947   -0.68093590
 C                  8.18827795    0.88148301    0.11207532
 C                  7.86105658    0.87218025    1.52684633
 C                  7.25796453   -0.24934940    2.09784351
 C                  6.18171436   -0.09391205    3.06105890
 C                  5.21393974   -1.14425230    2.81471771
 C                  3.84473434   -0.88218017    2.93085367
 C                  2.92006391   -1.42863987    1.96407513
 C                  1.87170962   -1.06696161   -0.62265753
 C                  1.34498537   -0.28683109    0.46106786
 C                  1.88453231   -0.43653751    1.72857841
 C                  2.14495679    0.71722697    2.59335895
 C                  3.37220480    0.45103608    3.29803485
 C                  4.31680058    1.46472795    3.54459763
 C                  5.72802460    1.18839346    3.39834159
 C                  6.36324585    2.35895940    2.80701528
 C                  7.40246250    2.20401054    1.89009139
 C                  7.36982646   -0.06025763   -2.01291733
 C                  7.94060646    2.21763493   -0.39999177
 C                  4.81124889   -2.50481276    0.78533441
 C                 -0.94548348   -2.63431479    1.17571065
 N                 -0.15205800   -3.44271895    1.42947400
 K                  2.10414548   -5.24242022    1.55756664
 N                  0.00477884   -7.09069525    2.31142782
 K                 -2.51839018   -5.82506506    1.99292774
 C                 -0.05950610   -7.92465272    1.47875223
 C                 -2.29821996   -5.53701834   -0.85790377
 K                  0.00803468   -7.81004280   -1.42733521
 K                  0.24292929   -3.48663429   -2.59253579
 N                 -1.70301990   -5.33149417   -1.85418801
 N                  2.23438398   -5.96064552   -1.13305917
 C                  2.21687522   -5.54662682   -2.23770701

solventname=c60
eps=4.08
epsinf=3.83


