%nprocshared=24
%mem=41GB
%chk=tskcn3
#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                  2.53519457    2.05109505   -2.94958814
 C                  3.27344120    0.82208287   -2.69996389
 C                  3.00224397   -0.31873841   -3.45850035
 C                  1.97507620   -0.28008496   -4.48548791
 C                  1.26564538    0.89793691   -4.72316421
 C                  1.55138704    2.08672509   -3.93775445
 C                  2.30184408    2.69983690   -1.67031566
 C                  2.89756294    1.86945048   -0.63591878
 C                  3.50520064    0.71704573   -1.27086756
 C                  3.43287944   -0.53271690   -0.63992919
 C                  2.93189082   -1.61538427   -2.80697249
 C                  1.27908736   -1.55744840   -4.47918849
 C                 -0.09759460   -1.60327190   -4.70771995
 C                 -0.83630059   -0.37652674   -4.95502042
 C                 -0.16775836    0.84872437   -4.95744533
 C                 -0.76834645    2.00914055   -4.32067669
 C                  0.29377498    2.77325042   -3.68816456
 C                  0.07030854    3.39617598   -2.46059073
 C                  1.09510001    3.35876866   -1.43108808
 C                  2.25281495    1.73116623    0.59616291
 C                  1.00112894    2.41457106    0.84290695
 C                  0.42849052    3.21651631   -0.14680399
 C                 -1.00273944    3.17908462   -0.37735359
 C                 -1.22499311    3.27876508   -1.80814756
 C                 -2.24755572    2.54901796   -2.41890609
 C                 -2.01134415    1.89779543   -3.69632210
 C                 -2.70725006    0.62040170   -3.68924102
 C                 -2.13079145   -0.49262154   -4.30408384
 C                  1.87012665   -2.38207820   -3.44040913
 C                 -2.23642754   -2.75770958   -1.39006351
 C                 -1.03082507   -3.41434607   -1.62821728
 C                 -0.00328660   -3.45132633   -0.59689602
 C                 -0.21775573   -2.81335539    0.62763438
 C                 -1.47519944   -2.12643505    0.87381568
 C                 -3.20482574   -0.88252820   -0.35436503
 C                 -3.43139646   -0.77156975   -1.78500088
 C                 -2.83135971   -1.93080461   -2.42554263
 C                 -2.19476381   -1.79374627   -3.66068489
 C                 -0.93788744   -2.48045168   -3.90997041
 C                 -0.36824961   -3.27501168   -2.91320212
 C                  1.28603196   -3.33593287   -1.24326236
 C                  2.30120673   -2.59399083   -0.63442338
 C                  2.07038707   -1.94952678    0.64636112
 C                  0.84052643   -2.07567748    1.27714743
 C                 -1.20251612   -0.95500362    1.67191041
 C                 -1.89980435    0.22311480    1.42890937
 C                 -2.92461491    0.26060361    0.39864215
 C                 -3.36540837    0.47824412   -2.40317977
 C                 -3.07947464    1.66879945   -1.61706123
 C                 -2.86279655    1.56024194   -0.24245169
 C                 -1.80250837    2.32840469    0.39793369
 C                 -1.22310044    1.51804621    1.44578243
 C                  0.16348735    1.52381415    1.63508676
 C                  0.90734045    0.31983061    1.91845919
 C                  2.17826615    0.42741567    1.24128633
 C                  2.79629902   -0.67854649    0.64983694
 C                  1.06531987   -3.22720525   -2.67518318
 C                  3.14092642   -1.72035664   -1.43116517
 C                 -2.46856601   -2.10593767   -0.10907875
 C                  0.24298950   -0.95240407    2.06256618
 C                  0.18587125   -1.42001590    3.98585144
 N                 -0.09842047   -1.02019053    5.05616864
 N                 -1.08832183    3.09428626    5.48856052
 C                 -1.99425773    2.34515134    5.41852974
 K                 -2.95043204   -0.26900364    4.95396438
 K                  1.20374683    1.73224432    4.90190646
 N                  2.83304780    0.77549497    6.95157984
 C                  2.38409794   -0.25301585    7.30853818
 K                  0.32659903   -2.18070523    7.30401886

60 61 F

solventname=c60
eps=4.08
epsinf=3.83

--link1--
%nprocshared=24
%mem=41GB
%chk=tskcn3
#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




