%nprocshared=36
%mem=41GB
#p opt=(loose,modredundant,calcfc,ts,noeigentest,maxstep=6) b3lyp genecp scrf=(solvent=generic,read,pcm) nosymm empiricaldispersion=gd3 scf=(xqc,maxcyc=1024,conver=6) int(grid=fine)

Loose ts

0 1
 C                 -3.34683605   -0.69555372   -3.15568259
 C                 -3.56497263    0.28347239   -2.09880116
 C                 -3.18578803    1.61909842   -2.27678651
 C                 -2.55376956    2.02715831   -3.51581439
 C                 -2.32686440    1.07740039   -4.50581233
 C                 -2.74257978   -0.30232194   -4.34504039
 C                 -2.96342577   -1.95763910   -2.54409200
 C                 -2.94919769   -1.75704293   -1.10497516
 C                 -3.32633461   -0.37843923   -0.83015354
 C                 -2.70413447    0.32461369    0.20751482
 C                 -2.53753819    2.35014178   -1.20027342
 C                 -1.52588631    3.01343512   -3.21502077
 C                 -0.32353557    3.02262070   -3.92810534
 C                 -0.09513544    2.03763416   -4.96440706
 C                 -1.05496839    1.06493344   -5.17692102
 C                 -0.71113211   -0.28875837   -5.52489573
 C                 -1.74109365   -1.14941423   -4.97736545
 C                 -1.37762986   -2.36135857   -4.39899630
 C                 -2.00075980   -2.77122920   -3.15131896
 C                 -1.96757416   -2.38486855   -0.33532689
 C                 -0.96594838   -3.23065431   -0.96684159
 C                 -0.97950913   -3.42348762   -2.34873958
 C                  0.26703760   -3.41730272   -3.09743690
 C                  0.02511663   -2.75463255   -4.36483143
 C                  1.00749047   -1.92943275   -4.92381668
 C                  0.62752585   -0.66545949   -5.52390864
 C                  1.65281635    0.32248056   -5.22222696
 C                  1.29997246    1.64778176   -4.95383494
 C                 -1.51430769    3.21266380   -1.78031125
 C                  2.93260719    1.95469026   -1.67443488
 C                  1.97296273    2.77377954   -1.06847720
 C                  1.34441988    2.36154790    0.17630855
 C                  1.69904571    1.13683727    0.73999160
 C                  2.70273847    0.28787160    0.11846480
 C                  3.53532447   -0.28592711   -2.11906314
 C                  3.29062978    0.37406785   -3.38776743
 C                  2.92058199    1.75699360   -3.11317557
 C                  1.94410705    2.38625304   -3.88454552
 C                  0.94136966    3.23604506   -3.25172863
 C                  0.95368541    3.42781100   -1.87114798
 C                 -0.05449138    2.75822823    0.14690289
 C                 -1.03576395    1.92277452    0.69509400
 C                 -0.65625791    0.66094151    1.29137712
 C                  0.67187349    0.28271649    1.27802779
 C                  2.30060230   -1.08948404    0.29539776
 C                  2.52094558   -2.03012015   -0.69727520
 C                  3.14705299   -1.61838131   -1.93906703
 C                  2.66942554   -0.33025427   -4.42178935
 C                  2.27013007   -1.71986261   -4.23496083
 C                  2.50246748   -2.35072662   -3.01447643
 C                  1.48180706   -3.21491095   -2.43205479
 C                  1.50029589   -3.02974324   -0.99806267
 C                  0.29819646   -3.01738175   -0.28444077
 C                  0.07509900   -2.05013905    0.76838637
 C                 -1.31843922   -1.64796169    0.73395326
 C                 -1.69354832   -0.32818592    1.01190147
 C                 -0.29785560    3.41628114   -1.12229429
 C                 -2.30291982    1.71562976    0.01742015
 C                  3.31677923    0.68974291   -1.06488143
 C                  1.06123324   -1.10621805    1.06084271
 C                  1.74185495   -1.18007005    3.16891888
 N                  1.13562715   -1.00229685    4.16899742
 K                  2.20694495   -1.56593968    6.79377333
 K                  1.30726557    2.05584152    4.41875407
 N                  2.12917986    1.32659601    7.08297324
 C                 -0.48317107   -2.39627720    7.61335574
 C                 -1.58638335    2.21708848    4.72051961
 C                  1.24041614    1.53122962    7.83148504
 N                 -1.51375595   -1.88086807    7.35966429
 N                 -2.20641999    1.36552689    5.25181118
 K                 -1.63504429    0.93812630    8.05172225
 K                 -1.72019626   -1.36734686    4.51306521

15 61 F

C N 0
6-31G(d)
****
K 0
LanL2DZ
****

K 0
LanL2DZ

solventname=c60
eps=4.08
epsinf=3.83


