%nprocshared=24
%mem=41GB
%chk=tsdiskcn2
#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                 -3.89959365    3.42635061    1.72298712
 C                 -3.18969084    3.63483028    0.47291566
 C                 -3.90921060    3.84120680   -0.70983296
 C                 -5.36112906    3.83177588   -0.68907682
 C                 -6.03975363    3.62820056    0.51420311
 C                 -5.29370894    3.42751369    1.74598016
 C                 -3.15719904    2.45856076    2.51163414
 C                 -1.98721969    2.06251222    1.76257101
 C                 -2.00719798    2.80085447    0.47700898
 C                 -1.58203473    2.19913346   -0.68878171
 C                 -3.47555942    3.19326842   -1.92457932
 C                 -5.82395768    3.17714112   -1.90280495
 C                 -6.94448620    2.34391215   -1.86089267
 C                 -7.65174350    2.13800028   -0.60929016
 C                 -7.20687501    2.76747317    0.55556078
 C                 -7.19044133    2.04245703    1.81710150
 C                 -6.00912150    2.45003499    2.55279461
 C                 -5.29894624    1.51863133    3.31213233
 C                 -3.84817412    1.52597517    3.29735589
 C                 -1.55504767    0.75272187    1.80935543
 C                 -2.28348018   -0.21402516    2.57387754
 C                 -3.39977972    0.15498983    3.33012877
 C                 -4.56596338   -0.71536069    3.38972383
 C                 -5.74041771    0.13050454    3.36201055
 C                 -6.88183004   -0.26166015    2.65442682
 C                 -7.61138429    0.71095212    1.86193163
 C                 -8.06809591    0.05487378    0.64745740
 C                 -8.08800676    0.75293589   -0.56134399
 C                 -4.65562361    2.77905459   -2.66708334
 C                 -6.03282521   -1.61272510   -2.50811820
 C                 -5.35364389   -0.67126656   -3.28344661
 C                 -3.90162197   -0.65216943   -3.29039835
 C                 -3.17914302   -1.56410708   -2.51252505
 C                 -3.89200752   -2.53623583   -1.70342609
 C                 -6.00311235   -2.78894960   -0.47452333
 C                 -7.18564123   -1.94862546   -0.48779722
 C                 -7.20509535   -1.22081266   -1.74912965
 C                 -7.64970550    0.10248881   -1.78455999
 C                 -6.94401925    1.08518931   -2.58847888
 C                 -5.81841859    0.70514727   -3.32363868
 C                 -3.47092012    0.72311274   -3.34280652
 C                 -2.34232989    1.10880300   -2.61507545
 C                 -1.57782902    0.15012423   -1.85673048
 C                 -1.98872935   -1.16093323   -1.80258287
 C                 -3.15447243   -2.75092746   -0.48836918
 C                 -3.83805716   -2.96128444    0.70652538
 C                 -5.28987211   -2.97104824    0.71327438
 C                 -7.61034158   -1.32300000    0.68552028
 C                 -6.87299958   -1.51657637    1.92347398
 C                 -5.73474996   -2.32749075    1.93533929
 C                 -4.55087236   -1.91854210    2.67664233
 C                 -3.37749700   -2.34907763    1.93837010
 C                 -2.28037456   -1.46781881    1.82515898
 C                 -1.50820172   -1.31016245    0.64357412
 C                 -0.84209734    0.06312280    0.65812935
 C                 -0.85854640    0.85974790   -0.71816221
 C                 -4.65213576    1.57099235   -3.36340329
 C                 -2.34519827    2.36856246   -1.89359439
 C                 -5.28988734   -2.57924508   -1.71720659
 C                 -1.86630586   -2.00540409   -0.55440478
 C                 -0.58825119   -3.46467489   -0.99692620
 C                  3.71038913    1.75766977    3.26712827
 C                  5.16116710    1.80647319    3.27358938
 C                  5.83133582    2.74711517    2.48937269
 C                  5.07625381    3.67879876    1.66639911
 C                  3.68320748    3.62077543    1.64978095
 C                  2.98264542    2.64188385    2.46205077
 C                  3.30934178    0.37305293    3.33758132
 C                  4.50962795   -0.44898553    3.38872100
 C                  5.65667452    0.44090884    3.34926544
 C                  6.79981908    0.07279959    2.63695066
 C                  7.02120092    2.36561839    1.75372893
 C                  5.80847429    3.88173151    0.42627201
 C                  5.11574610    4.03302648   -0.77658452
 C                  3.66472080    3.98712098   -0.78994889
 C                  2.95926536    3.77579281    0.40032279
 C                  1.80865856    2.89917378    0.42722179
 C                  1.82324698    2.18473757    1.72650587
 C                  1.42691715    0.86652107    1.81167812
 C                  2.19854752   -0.05498072    2.60275733
 C                  4.55008316   -1.67171630    2.71925817
 C                  3.39032210   -2.12943017    1.96816530
 C                  2.24275034   -1.32846569    1.90234676
 C                  1.49607482   -1.19365168    0.67904112
 C                  0.74356720    0.12673790    0.67215701
 C                  0.72554313    0.89739148   -0.72539356
 C                  1.39977291    2.26099978   -0.72503193
 C                  2.14868120    2.43863195   -1.93891613
 C                  3.24948061    3.30040167   -1.98958690
 C                  7.00701971    3.06739797    0.47783538
 C                  5.67709295    0.87350837   -3.35103909
 C                  6.78944255    1.30815083   -2.62792008
 C                  7.53364346    0.36903388   -1.80733494
 C                  7.13741466   -0.96815767   -1.74211491
 C                  5.97997862   -1.41899137   -2.48995214
 C                  3.81128564   -0.55464986   -3.28829960
 C                  3.32940933    0.80379576   -3.36329408
 C                  4.47916339    1.69388799   -3.40189924
 C                  4.44013124    2.91479415   -2.73036449
 C                  5.59675596    3.36949817   -1.97825370
 C                  6.74836043    2.58204761   -1.92724151
 C                  7.95453239    1.06090724   -0.60082673
 C                  7.96907568    0.38886856    0.62200557
 C                  7.56217639   -1.00445710    0.69144185
 C                  7.15155755   -1.66941803   -0.46574758
 C                  6.00285042   -2.55285240   -0.42571362
 C                  5.27297932   -2.39362098   -1.67422815
 C                  3.87918838   -2.41647729   -1.67175004
 C                  3.12887499   -1.48114447   -2.49214922
 C                  2.18795317    1.16645714   -2.64001028
 C                  1.46225131    0.19947541   -1.86071807
 C                  1.93786761   -1.09154461   -1.76896114
 C                  1.95913776   -1.80119582   -0.46775532
 C                  3.15522072   -2.61244741   -0.42891530
 C                  3.85810702   -2.78762912    0.76927337
 C                  5.30984403   -2.74774151    0.77114935
 C                  5.73836690   -2.05678746    1.97735885
 C                  6.84114562   -1.20092294    1.93652837
 C                  7.46740823    2.42800191   -0.67490691
 C                  7.49592162    1.05444700    1.82385655
 C                  5.26274985   -0.51869649   -3.28018893
 N                 -0.14477478   -4.45433370   -0.62464180
 K                  0.51490361   -5.25064542    2.07125776
 K                  0.58578195   -6.74605505   -2.10782194
 N                  1.94149768   -7.50060036    1.37721501
 C                  1.72847217   -7.64572830    0.25491188

60 61 F

solventname=c60
eps=4.08
epsinf=3.83

--link1--
%nprocshared=24
%mem=41GB
%chk=tsdiskcn2
#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


