%nprocshared=28
%mem=41GB
%chk=ts2cksalt
#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                 -3.70519927    2.50191010    2.54067665
 C                 -2.92598267    2.98550407    1.41322534
 C                 -3.56766382    3.59112205    0.32587636
 C                 -5.01451584    3.71482724    0.31483390
 C                 -5.76225508    3.24169279    1.39524055
 C                 -5.09485980    2.62925728    2.53285787
 C                 -3.08404368    1.28766166    3.03851771
 C                 -1.92120099    1.01065468    2.22570003
 C                 -1.82611666    2.07407375    1.19922781
 C                 -1.40226074    1.78461214   -0.08033133
 C                 -3.13512648    3.27509154   -1.01322798
 C                 -5.47515415    3.48280210   -1.04582907
 C                 -6.66464744    2.78208056   -1.26771228
 C                 -7.44512278    2.29665087   -0.14389325
 C                 -6.99965402    2.51851656    1.16297551
 C                 -7.10515773    1.46893669    2.16116918
 C                 -5.92694591    1.53496597    3.00857267
 C                 -5.33373052    0.36298690    3.47986903
 C                 -3.88928094    0.23737973    3.50628137
 C                 -1.61675005   -0.29345386    1.88718224
 C                 -2.44901153   -1.37112153    2.34688917
 C                 -3.55977488   -1.12521313    3.15247532
 C                 -4.79749504   -1.86043131    2.92853750
 C                 -5.89157795   -0.93605124    3.11531935
 C                 -7.03057000   -0.99844893    2.30296706
 C                 -7.63673793    0.22484355    1.81044072
 C                 -8.09205670   -0.00957130    0.45000316
 C                 -8.00141398    1.00503398   -0.50687366
 C                 -4.31106894    3.20621577   -1.86655522
 C                 -6.07111526   -0.89308714   -3.01432310
 C                 -5.27796412    0.16189948   -3.47036082
 C                 -3.83144710    0.04183402   -3.44194688
 C                 -3.22572571   -1.12029564   -2.94957512
 C                 -4.05463376   -2.21587898   -2.47346739
 C                 -6.23270869   -2.59581206   -1.41205773
 C                 -7.33865412   -1.67884462   -1.20081047
 C                 -7.23972017   -0.62260984   -2.19786921
 C                 -7.56618121    0.69224960   -1.85749024
 C                 -6.74056145    1.79138706   -2.32794449
 C                 -5.61822538    1.52955273   -3.11896228
 C                 -3.28010971    1.32376101   -3.08331713
 C                 -2.15576832    1.37177884   -2.25401421
 C                 -1.50803630    0.16717579   -1.80011632
 C                 -2.02859567   -1.05414694   -2.15609570
 C                 -3.39829188   -2.85936882   -1.38137069
 C                 -4.13986980   -3.29539250   -0.29379449
 C                 -5.58290009   -3.16612686   -0.31214593
 C                 -7.75565797   -1.37667312    0.09575945
 C                 -7.09081327   -1.98360368    1.23937305
 C                 -6.02336915   -2.86112750    1.03496962
 C                 -4.84347260   -2.79891084    1.88577830
 C                 -3.68167257   -3.10430845    1.08153855
 C                 -2.51531078   -2.34329876    1.26065712
 C                 -1.67982725   -1.89195423    0.19952397
 C                 -1.05468923   -0.67000051    0.56523788
 C                 -0.77507614    0.43824021   -0.48397016
 C                 -4.37977431    2.25272898   -2.88312545
 C                 -2.08508769    2.36510072   -1.19736859
 C                 -5.45430160   -2.11305644   -2.52583099
 C                 -1.94753655   -2.30658397   -1.24318424
 C                 -0.97962507   -3.29923363   -1.75808218
 N                 -0.23917998   -4.09882471   -2.16067831
 C                  3.95499970    0.61976645    3.47824804
 C                  5.39856169    0.72211005    3.42373852
 C                  6.01088368    1.82639905    2.82053424
 C                  5.18965595    2.86624855    2.22600606
 C                  3.79833221    2.76056424    2.25582924
 C                  3.15785503    1.61506393    2.88901538
 C                  3.59976115   -0.77049164    3.28305268
 C                  4.82513780   -1.53909587    3.12144251
 C                  5.94014702   -0.61230852    3.20738246
 C                  7.05963305   -0.78994617    2.39319693
 C                  7.17142528    1.63759816    1.97122320
 C                  5.85424088    3.33446038    1.01812826
 C                  5.10152402    3.69196558   -0.10269593
 C                  3.65394019    3.59317910   -0.06506886
 C                  3.01652682    3.12716729    1.09157559
 C                  1.89911413    2.21311239    0.99595428
 C                  1.97478442    1.27812051    2.13477937
 C                  1.64514675   -0.06232105    1.92867808
 C                  2.47632896   -1.09642208    2.52216042
 C                  4.87124648   -2.60565720    2.22248207
 C                  3.69361657   -2.95339692    1.44291100
 C                  2.52529622   -2.20185038    1.58957015
 C                  1.73097769   -1.82837645    0.43752972
 C                  1.04870346   -0.56390416    0.69840040
 C                  0.79764120    0.42884956   -0.47615442
 C                  1.45011387    1.79755248   -0.24218342
 C                  2.13441785    2.23216444   -1.42550992
 C                  3.20108511    3.13722608   -1.35668120
 C                  7.07861958    2.57412175    0.85964939
 C                  5.63324306    1.11875900   -3.26723975
 C                  6.76676831    1.44730788   -2.52000613
 C                  7.57827371    0.39646058   -1.93127284
 C                  7.22490782   -0.94301772   -2.11432192
 C                  6.04642842   -1.28358362   -2.88669435
 C                  3.81752611   -0.36727725   -3.41292729
 C                  3.28960144    0.95774652   -3.19692002
 C                  4.40975781    1.88466657   -3.10662596
 C                  4.36665775    2.94884440   -2.20780621
 C                  5.54423644    3.29335487   -1.42986518
 C                  6.72111914    2.55725817   -1.58170984
 C                  8.03768831    0.85679111   -0.63240927
 C                  8.12353678   -0.04129744    0.43433354
 C                  7.76491097   -1.43642146    0.24455185
 C                  7.31841478   -1.87864298   -1.00264637
 C                  6.20412597   -2.80315062   -1.09336044
 C                  5.41017735   -2.42873989   -2.25190243
 C                  4.01825687   -2.50720653   -2.19872519
 C                  3.20481249   -1.45971949   -2.78670503
 C                  2.17508751    1.12301249   -2.36525644
 C                  1.51002680   -0.00521227   -1.76848365
 C                  2.03985417   -1.26783731   -1.94932518
 C                  2.13249507   -2.22864699   -0.82911235
 C                  3.35380667   -2.97569369   -0.99135478
 C                  4.12349227   -3.35299984    0.12106419
 C                  5.56786325   -3.24731394    0.06983778
 C                  6.03419813   -2.78855510    1.37064819
 C                  7.10696712   -1.89997243    1.45485538
 C                  7.50430903    2.19078995   -0.41458987
 C                  7.68980797    0.35786188    1.76223772
 C                  5.26573810   -0.27587526   -3.45768987
 K                 -0.23452568   -4.45248935    1.01589124

55 86 F

solventname=c60
eps=4.08
epsinf=3.83

--link1--
%nprocshared=28
%mem=41GB
%chk=ts2cksalt
#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

55 86 A

solventname=c60
eps=4.08
epsinf=3.83


