%nprocshared=24
%mem=41GB
%chk=tsc60cnkcn2attack2
#p opt=(loose,modredundant) b3lyp 6-31g(d) nosymm empiricaldispersion=gd3 scf=(xqc,maxcyc=1024,conver=6) scrf=(solvent=generic,read,pcm)

Loose preopt

0 1
 C                 -3.82791391    3.29043588    2.31123488
 C                 -2.86695267    3.55926661    1.24998853
 C                 -3.31266231    4.03693576    0.01065873
 C                 -4.73274374    4.23231118   -0.21999177
 C                 -5.65362787    3.96893713    0.79512975
 C                 -5.19014857    3.48929177    2.08798746
 C                 -3.37576567    2.12095455    3.04589304
 C                 -2.14316830    1.66568724    2.43163221
 C                 -1.82022469    2.56596846    1.32346682
 C                 -1.26652504    2.04378180    0.15464562
 C                 -2.73422148    3.50278396   -1.20307546
 C                 -5.02898714    3.83439663   -1.58917233
 C                 -6.23195787    3.18771856   -1.88446217
 C                 -7.18935867    2.91267637   -0.82705269
 C                 -6.90125202    3.29203747    0.48746915
 C                 -7.21289346    2.39855268    1.58897613
 C                 -6.15633872    2.52028433    2.58090054
 C                 -5.72309478    1.39537851    3.28208443
 C                 -4.30556828    1.19204181    3.52468682
 C                 -1.89959465    0.30552397    2.30842258
 C                 -2.84636445   -0.65855982    2.81242577
 C                 -4.03468614   -0.23003894    3.40715268
 C                 -5.27788132   -0.90727630    3.10215298
 C                 -6.32308523    0.09456863    3.01694865
 C                 -7.34012462   -0.02110528    2.06661829
 C                 -7.79009108    1.15296445    1.33667499
 C                 -8.08426169    0.75361330   -0.02987334
 C                 -7.78883368    1.61699068   -1.08960637
 C                 -3.79244370    3.38044835   -2.19580923
 C                 -5.70322912   -0.72361645   -3.03881515
 C                 -4.77772442    0.20666458   -3.50762852
 C                 -3.35546466    0.00614591   -3.27222392
 C                 -2.91427163   -1.11020660   -2.55084381
 C                 -3.87945435   -2.08088151   -2.06056957
 C                 -6.19663032   -2.17065705   -1.25827154
 C                 -7.24803716   -1.17191877   -1.32667702
 C                 -6.94159864   -0.27398956   -2.43026633
 C                 -7.20760432    1.09230216   -2.31329251
 C                 -6.24457874    2.06327504   -2.80411221
 C                 -5.05349961    1.62829356   -3.39012153
 C                 -2.75993875    1.29274584   -3.01076604
 C                 -1.75689749    1.39757874   -2.04218826
 C                 -1.29388023    0.23005488   -1.33178143
 C                 -1.83045019   -1.00645776   -1.61214646
 C                 -3.42122705   -2.59939804   -0.80440722
 C                 -4.32501990   -2.82702479    0.21414263
 C                 -5.73885922   -2.61911721   -0.01377477
 C                 -7.80340092   -0.66476825   -0.15067441
 C                 -7.33780210   -1.14250470    1.14340697
 C                 -6.32217515   -2.09797184    1.20702656
 C                 -5.26589034   -1.98523768    2.20272847
 C                 -4.03177837   -2.44613548    1.60965188
 C                 -2.84106097   -1.77812113    1.88174847
 C                 -1.84672002   -1.51215666    0.85752614
 C                 -1.33457866   -0.23935257    1.07368432
 C                 -0.83488785    0.63583532    0.03028026
 C                 -3.80299424    2.30139648   -3.08233220
 C                 -1.74087170    2.51976476   -1.12504389
 C                 -5.24662333   -1.89694231   -2.30793383
 C                 -1.96340617   -2.12232816   -0.53841053
 C                 -1.00231334   -3.22369071   -0.74912058
 C                  4.47210511   -2.46253039    2.26547703
 C                  5.90549374   -2.25069636    2.28904644
 C                  6.44582479   -1.10336825    2.87860721
 C                  5.55913055   -0.10476678    3.44944875
 C                  4.17631104   -0.29453355    3.41585422
 C                  3.61311531   -1.49580362    2.81088701
 C                  4.13307527   -3.07841837    0.99587478
 C                  5.36054207   -3.26530192    0.23843593
 C                  6.45903104   -2.75179630    1.03924820
 C                  7.51806557   -2.08328654    0.42450434
 C                  7.54361086   -0.40573934    2.23216151
 C                  6.11718134    1.20967992    3.16879189
 C                  5.27160885    2.28155384    2.87526335
 C                  3.83315056    2.08335040    2.84560657
 C                  3.29804635    0.81738251    3.10738377
 C                  2.19801130    0.30752796    2.30967668
 C                  2.38397410   -1.13475271    2.14494922
 C                  2.07554385   -1.70596341    0.90268279
 C                  2.96085561   -2.71567394    0.33180822
 C                  5.36295383   -3.08646580   -1.14570788
 C                  4.13801242   -2.71287522   -1.83479481
 C                  2.96416460   -2.52949742   -1.10321087
 C                  2.08228653   -1.40663233   -1.40051143
 C                  1.51552951   -0.93005162   -0.16921345
 C                  1.17857103    0.46441822    0.01180339
 C                  1.67527235    1.07732290    1.27985993
 C                  2.24464244    2.37093101    0.99321697
 C                  3.29194418    2.88171047    1.76749892
 C                  7.34492899    1.02380008    2.41728507
 C                  5.62396901    3.57237150   -1.01504871
 C                  6.80219738    3.21441591   -0.35699872
 C                  7.68413027    2.21576761   -0.93738272
 C                  7.35374207    1.61613818   -2.15504967
 C                  6.12727708    1.98704122   -2.83764019
 C                  3.84171397    2.74909651   -2.30923247
 C                  3.29560152    3.24761139   -1.06498299
 C                  4.39667412    3.75894034   -0.26022388
 C                  4.39462733    3.58041065    1.12246769
 C                  5.61972074    3.20808747    1.80913516
 C                  6.79979679    3.02787937    1.08463754
 C                  8.22982174    1.41485673    0.14532027
 C                  8.41665563    0.04165431   -0.03205281
 C                  8.07777691   -0.58340064   -1.29936223
 C                  7.55186318    0.18628153   -2.33880021
 C                  6.45622600   -0.32364459   -3.14451763
 C                  5.57095898    0.78768196   -3.44612638
 C                  4.18820439    0.59595532   -3.46637428
 C                  3.30821101    1.59280231   -2.88743673
 C                  2.24633700    2.55756820   -0.44927381
 C                  1.67887394    1.37833382   -1.05739340
 C                  2.20628201    0.89643257   -2.24810760
 C                  2.39374671   -0.53877172   -2.45504913
 C                  3.62406502   -0.71935169   -3.18897589
 C                  4.48111797   -1.79320244   -2.90451992
 C                  5.91473203   -1.58314492   -2.86864897
 C                  6.46326596   -2.38570627   -1.78546832
 C                  7.52026416   -1.89647546   -1.01753866
 C                  7.67983752    1.91379332    1.39419417
 C                  8.07366335   -0.88515405    1.03298227
 C                  5.28009624    2.94850558   -2.28287821
 N                 -0.26774598   -4.09011467   -0.90536358
 K                 -1.49951491   -4.69946262    2.44653606
 N                 -2.69161274   -6.91718416    1.46290356
 C                 -2.82884578   -6.83091237    0.29706083
 K                 -2.69080978   -5.87559620   -2.33727674

56 86 F

solventname=c60
eps=4.08
epsinf=3.83

--link1--
%nprocshared=24
%mem=41GB
%chk=tsc60cnkcn2attack2
#p opt=(modredundant,calcfc,noeigentest,ts,maxstep=8) freq=noraman b3lyp 6-31g(d) scrf=(pcm,solvent=generic,read) nosymm empiricaldispersion=gd3 scf=(xqc,maxcyc=1024) guess=read geom=checkpoint

TS

0 1

56 86 A

solventname=c60
eps=4.08
epsinf=3.83


