%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                 -2.67003379    2.00448092   -4.43463910
 C                 -1.98484127    2.89263444   -3.50485923
 C                 -0.72937039    3.41395077   -3.83946749
 C                 -0.10357241    3.04290757   -5.09625035
 C                 -0.75841403    2.18877672   -5.98497159
 C                 -2.06862242    1.65806511   -5.64385649
 C                 -3.36712695    0.99502750   -3.65748229
 C                 -3.10490707    1.26285256   -2.25270718
 C                 -2.26928842    2.44556137   -2.15845634
 C                 -1.26217232    2.48567732   -1.17770718
 C                  0.30884920    3.46715273   -2.82813718
 C                  1.32678142    2.89297595   -4.86915040
 C                  2.03883826    1.89107560   -5.53403025
 C                  1.35744305    1.00166883   -6.45870953
 C                 -0.01675573    1.14398671   -6.66983502
 C                 -0.86837587   -0.02916146   -6.76074295
 C                 -2.13696869    0.28670049   -6.12445186
 C                 -2.80432663   -0.68304256   -5.37700392
 C                 -3.43213941   -0.32103860   -4.11793295
 C                 -2.92060865    0.19524232   -1.37467081
 C                 -2.98925561   -1.16313538   -1.84787488
 C                 -3.24179494   -1.42790267   -3.19530189
 C                 -2.51413941   -2.47566047   -3.88032449
 C                 -2.22858082   -2.01215638   -5.22209809
 C                 -1.01364499   -2.31916623   -5.84344057
 C                 -0.31876463   -1.30404720   -6.61626937
 C                  1.11080462   -1.45534140   -6.38941748
 C                  1.92886077   -0.32487737   -6.30936520
 C                  1.58070804    3.15145280   -3.46506399
 C                  3.41327113   -1.04527697   -3.00789252
 C                  3.48025963    0.26767433   -2.54954757
 C                  2.85091895    0.63108918   -1.28553822
 C                  2.15642877   -0.33746280   -0.54957589
 C                  2.08891427   -1.71019858   -1.02305214
 C                  2.03365694   -2.94188910   -3.14042960
 C                  2.30376587   -2.48977873   -4.49310006
 C                  3.15677079   -1.31399039   -4.41133996
 C                  2.97326536   -0.25358406   -5.30186946
 C                  3.04157795    1.11730073   -4.82266580
 C                  3.29154514    1.37244157   -3.47236903
 C                  2.27587949    1.94786953   -1.43171277
 C                  1.04864214    2.24297316   -0.82578029
 C                  0.35479910    1.23371623   -0.04662881
 C                  0.93019558   -0.01431065    0.12783291
 C                  0.82133138   -2.27714179   -0.65024678
 C                  0.14536989   -3.08403684   -1.54723014
 C                  0.76743970   -3.43776889   -2.80882545
 C                  1.29766634   -2.55217696   -5.45880965
 C                 -0.01539815   -3.08041755   -5.11592740
 C                 -0.27157800   -3.50984456   -3.81235683
 C                 -1.54337740   -3.20248463   -3.16726245
 C                 -1.30586042   -2.97356058   -1.76590321
 C                 -1.97826838   -1.92642656   -1.11569395
 C                 -1.37079448   -1.07428763   -0.13954746
 C                 -1.86224093    0.24358205   -0.36195541
 C                 -1.08911970    1.41692347   -0.22643445
 C                  2.54883190    2.41430547   -2.77954485
 C                  0.05105506    3.01601133   -1.53156276
 C                  2.71446071   -2.05884539   -2.22609486
 C                  0.07691870   -1.30463424    0.30673323
 C                  0.13849873   -1.73486507    1.72043794
 N                  0.15937506   -1.97935215    2.85776379
 K                  0.38320331   -2.23824125    5.69975709
 K                  2.44444387    1.05995830    2.96171738
 N                  2.24171387    0.02732848    5.56087446
 C                 -2.20756363   -0.68522882    6.70910087
 C                  0.10218980    2.60291164    3.48180198
 C                  2.13862700    0.61271411    6.57775603
 N                 -2.26486193   -0.30320286    5.59639397
 N                 -0.93643437    2.87671774    3.96735124
 K                 -0.51593157    2.19344266    6.75283133
 K                 -3.23152540    0.36090910    3.07225532
 K                 -1.92266097   -0.94537628    9.61331499
 C                  0.79897653   -2.83847173    8.51750399
 N                  0.68126964   -2.13519244    9.45840549
 C                  0.21366728    1.87858597   10.07441753
 N                 -0.84334238    1.69799555    9.58046453
 K                  2.43300429    0.11528023    9.47782988

solventname=c60
eps=4.08
epsinf=3.83



