%nprocshared=8
%mem=22GB
%chk=tskcn9
#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                 -3.45413163   -0.65835322   -5.10851942
 C                 -3.51532827    0.39451449   -4.10570059
 C                 -3.12069767    1.69333811   -4.43579771
 C                 -2.63519223    1.98613672   -5.77356741
 C                 -2.57477892    0.97603195   -6.73447632
 C                 -2.99222125   -0.37374461   -6.39355327
 C                 -3.04491197   -1.88499486   -4.44594752
 C                 -2.85220516   -1.58496353   -3.03618825
 C                 -3.15590238   -0.18100093   -2.82312062
 C                 -2.38750725    0.55807526   -1.91435455
 C                 -2.32581010    2.46247952   -3.49458771
 C                 -1.54823295    2.94649644   -5.66105413
 C                 -0.44477252    2.85500362   -6.51142968
 C                 -0.38186570    1.80337517   -7.51265766
 C                 -1.42399650    0.88028868   -7.61710178
 C                 -1.13278013   -0.52783554   -7.82622017
 C                 -2.10119335   -1.30367675   -7.06899495
 C                 -1.70821181   -2.48091020   -6.43236602
 C                 -2.18953579   -2.77741272   -5.09370306
 C                 -1.80826672   -2.19340222   -2.33727618
 C                 -0.92155422   -3.11885544   -3.00797119
 C                 -1.10525290   -3.41160424   -4.36138450
 C                  0.03936272   -3.51650680   -5.24425793
 C                 -0.32765640   -2.93235448   -6.52114833
 C                  0.60123756   -2.18975862   -7.25303795
 C                  0.19083905   -0.96152972   -7.91191807
 C                  1.27754572   -0.00166724   -7.80042575
 C                  0.99621712    1.35180311   -7.60342282
 C                 -1.35543581    3.23856429   -4.25191539
 C                  3.01591197    1.81727667   -4.54689073
 C                  2.16278205    2.71038730   -3.90069945
 C                  1.67813899    2.41236951   -2.55978709
 C                  2.05554674    1.22028105   -1.93309732
 C                  2.94961300    0.28949787   -2.60333950
 C                  3.48792079   -0.46139673   -4.87906697
 C                  3.11834385    0.11145191   -6.16178910
 C                  2.82564256    1.52094847   -5.95616373
 C                  1.78634563    2.12862104   -6.66301493
 C                  0.89551703    3.05832159   -5.98861372
 C                  1.08043790    3.34383360   -4.63448505
 C                  0.30319415    2.86072749   -2.46797761
 C                 -0.62666725    2.10757145   -1.74693128
 C                 -0.21870600    0.88194461   -1.08484561
 C                  1.10125189    0.45670759   -1.16243822
 C                  2.55805591   -1.05404713   -2.24840678
 C                  2.59984973   -2.05319647   -3.20977818
 C                  3.07708494   -1.75515204   -4.54794152
 C                  2.35659312   -0.63386503   -7.06268342
 C                  1.93757827   -1.98485307   -6.72128698
 C                  2.29111041   -2.53209678   -5.48692398
 C                  1.32575765   -3.31389897   -4.72603101
 C                  1.52677808   -3.04244506   -3.32055277
 C                  0.41906798   -2.90495806   -2.47835089
 C                  0.35657709   -1.88671070   -1.45719396
 C                 -1.00258588   -1.41547594   -1.40137013
 C                 -1.32326745   -0.07015052   -1.15921890
 C                 -0.06891643    3.43808239   -3.74835670
 C                 -1.96705490    1.90929875   -2.26384524
 C                  3.42658619    0.58676897   -3.88345012
 C                  1.46676715   -0.99456571   -1.22490984
 C                  2.22878259   -1.31233188    0.55325827
 N                  2.06911706   -1.25733059    1.71715899
 K                  2.95200802   -1.60500344    4.40369984
 K                  2.37618038    2.05309963    1.65608184
 N                  2.95347652    1.42409023    4.30246325
 C                 -0.00199783   -1.81420328    6.04672455
 C                 -0.38323625    2.21603734    2.40813185
 C                  3.56030955    1.63868885    5.29083869
 N                 -0.02884316   -1.58203067    4.89106215
 N                 -1.18887821    1.60725839    3.01779039
 K                  0.08766109    1.51385188    5.63716424
 K                 -0.95145787   -1.13812847    2.30657538
 C                  3.93584380   -1.96930310    7.12219729
 N                  3.69203167   -1.50755387    8.17889681
 C                  1.53927889    1.79120172    8.86433478
 N                  0.54203417    1.31961298    8.44502372
 K                  4.29364047    1.30647567    8.08904082
 K                  0.89838737   -1.54339812    8.80201178
 N                 -1.76719362   -1.93876014    9.83830912
 C                 -2.45637995   -2.34295973    8.96972981
 K                 -2.39971171    0.83774908   10.18769864
 K                 -3.01387167   -1.60986498    6.19459399
 C                 -3.45872934    1.50612112    7.55165652
 N                 -3.52952839    1.51654803    6.37468438
 K                 -4.06852902    1.97091724    3.66826548
 C                 -4.10532975   -0.83582549    2.95741154
 N                 -3.25952729   -1.57979297    3.30975834

60 61 F

solventname=c60
eps=4.08
epsinf=3.83

--link1--
%nprocshared=8
%mem=22GB
%chk=tskcn9
#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

60 61 A

solventname=c60
eps=4.08
epsinf=3.83



