%nprocshared=8
%mem=22GB
%chk=tskcn9b
#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                 -3.51747391   -0.21702039   -4.41065011
 C                 -3.32492288    0.88533049   -3.47955080
 C                 -2.81594712    2.10342707   -3.93839336
 C                 -2.46757739    2.26154080   -5.34019823
 C                 -2.65136405    1.20432033   -6.23180046
 C                 -3.18685980   -0.06054151   -5.75657692
 C                 -3.18227003   -1.45062583   -3.71998466
 C                 -2.78139370   -1.10647628   -2.36531201
 C                 -2.88251096    0.33335145   -2.21206274
 C                 -1.91903855    1.01335587   -1.45239874
 C                 -1.82121522    2.81137602   -3.15059553
 C                 -1.26599247    3.07712878   -5.42067269
 C                 -0.29688672    2.79997731   -6.38686365
 C                 -0.48864550    1.69932300   -7.31651519
 C                 -1.64059086    0.91505584   -7.23529507
 C                 -1.55345179   -0.52770150   -7.38350794
 C                 -2.50780150   -1.13153691   -6.46851195
 C                 -2.18559360   -2.31552514   -5.80496687
 C                 -2.52961147   -2.47815854   -4.40263165
 C                 -1.73744827   -1.80667959   -1.75829070
 C                 -1.06201921   -2.87405894   -2.46166446
 C                 -1.44788991   -3.20965717   -3.76171263
 C                 -0.44355392   -3.50741222   -4.76305197
 C                 -0.89240328   -2.94635522   -6.02413835
 C                  0.02157410   -2.36945736   -6.90841465
 C                 -0.31410381   -1.13356648   -7.59473835
 C                  0.88772837   -0.31844383   -7.67520647
 C                  0.80153906    1.06856490   -7.53800101
 C                 -0.86457636    3.41504167   -4.06719886
 C                  3.22709442    1.42361012   -4.77654018
 C                  2.57831769    2.45187918   -4.09572571
 C                  2.23293587    2.28836472   -2.69034740
 C                  2.53810254    1.09204754   -2.03251338
 C                  3.21923522    0.01947429   -2.73989719
 C                  3.37171322   -0.90995377   -5.00867710
 C                  2.91916573   -0.36102703   -6.27545437
 C                  2.82852342    1.08304263   -6.13116539
 C                  1.79177686    1.78339320   -6.75076757
 C                  1.11285464    2.85419647   -6.03965369
 C                  1.49926619    3.18263024   -4.73872227
 C                  0.94552234    2.91552656   -2.46946019
 C                  0.02782004    2.32853272   -1.59461115
 C                  0.36167573    1.09329272   -0.91055762
 C                  1.60251559    0.49958332   -1.10497726
 C                  2.71475346   -1.24262753   -2.25257904
 C                  2.51073378   -2.28571815   -3.14447718
 C                  2.84914834   -2.12028144   -4.54639753
 C                  1.96471261   -1.04630210   -7.02852939
 C                  1.42851517   -2.31200011   -6.55099712
 C                  1.86322030   -2.83566523   -5.33270510
 C                  0.91295611   -3.44791740   -4.41354802
 C                  1.32039073   -3.13407333   -3.06261991
 C                  0.35071178   -2.81020887   -2.10822926
 C                  0.54215121   -1.73972321   -1.16056970
 C                 -0.73150440   -1.09111583   -0.98487394
 C                 -0.85056246    0.29225529   -0.79788199
 C                  0.48983646    3.47130875   -3.73264546
 C                 -1.38178993    2.28086196   -1.93609153
 C                  3.56307984    0.18661156   -4.08489744
 C                  1.77729600   -0.99120527   -1.11092234
 C                  2.68817363   -1.35457968    0.57990911
 N                  2.67017741   -1.37540406    1.75561771
 K                  3.12446204   -1.63622432    4.63658307
 K                  2.80329155    1.87430455    1.78986444
 N                  3.11874732    1.39619655    4.49278263
 C                 -0.05957987   -1.93218482    6.00929663
 C                  0.14460611    2.01379319    2.31410379
 C                  3.54459970    1.57068669    5.57861131
 N                  0.12137119   -1.49595513    4.92859748
 N                 -0.99233876    1.81820867    2.54231217
 K                  0.06153414    1.53961064    5.45104957
 K                 -0.44359147   -1.49110671    2.20718890
 C                  3.57935489   -1.98687803    7.50409099
 N                  3.15643346   -1.64882077    8.55241708
 C                  1.04615984    1.72282420    8.76694011
 N                 -0.07073301    1.53222228    8.43946465
 K                  3.87797048    1.15944831    8.44884734
 K                  0.28007544   -1.61554245    8.89110422
 N                 -2.56436681   -1.32138354    9.35553019
 C                 -3.23186750   -1.67662689    8.44965458
 K                 -2.83031757    1.53885934    8.95659154
 K                 -3.26426288   -1.59954028    5.51982200
 C                 -3.20361372    1.71825350    6.06213903
 N                 -3.12009439    1.50879303    4.90496700
 K                 -3.93041649    1.41131755    2.03883384
 C                 -3.94310971   -1.21063972    1.97491715
 N                 -3.22544016   -1.83521536    2.67400523

60 61 F

solventname=c60
eps=4.08
epsinf=3.83

--link1--
%nprocshared=8
%mem=22GB
%chk=tskcn9b
#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



