%nprocshared=24
%mem=41GB
#p opt=(loose,modredundant,calcfc,ts,noeigentest,maxstep=8) b3lyp genecp scrf=(solvent=generic,read,pcm) nosymm empiricaldispersion=gd3 scf=(xqc,maxcyc=1024,conver=6) int(grid=fine)

Loose ts

0 1
 C                 -3.22615400    0.40199800   -3.37343800
 C                 -3.11723400    1.46574100   -2.38915100
 C                 -2.30206900    2.57337900   -2.62017100
 C                 -1.52291700    2.64222500   -3.84252500
 C                 -1.61019800    1.61446600   -4.78561200
 C                 -2.48099400    0.47283100   -4.54731900
 C                 -3.34682100   -0.85934300   -2.65931200
 C                 -3.30878000   -0.56826800   -1.23731700
 C                 -3.14653300    0.85690300   -1.08293300
 C                 -2.41281900    1.38016700   -0.02076800
 C                 -1.49558500    3.10525200   -1.53520700
 C                 -0.23239300    3.22841400   -3.51505100
 C                  0.92072000    2.76108900   -4.14572200
 C                  0.83101900    1.69172400   -5.12926800
 C                 -0.40855700    1.12661500   -5.43861800
 C                 -0.53972000   -0.31314400   -5.60701800
 C                 -1.82003200   -0.71985600   -5.05342300
 C                 -1.93563300   -1.93165500   -4.36713000
 C                 -2.71690900   -2.00360000   -3.14385600
 C                 -2.66861300   -1.43346500   -0.35252000
 C                 -2.01596500   -2.62041200   -0.85410700
 C                 -2.03611100   -2.90341800   -2.22399600
 C                 -0.84320400   -3.39853800   -2.87901400
 C                 -0.77410800   -2.79141500   -4.19806900
 C                  0.45400300   -2.40345300   -4.73607400
 C                  0.57285900   -1.13865900   -5.44772000
 C                  1.85957800   -0.55039600   -5.11789800
 C                  1.98847400    0.83220700   -4.96202100
 C                 -0.21484300    3.51183000   -2.08890900
 C                  3.46212200    0.80117900   -1.56674300
 C                  2.83460800    1.94514200   -1.08332700
 C                  2.04978600    1.87325800    0.14185800
 C                  1.91636500    0.65190400    0.81570700
 C                  2.57806200   -0.54269300    0.31416800
 C                  3.23260600   -1.52300100   -1.82854700
 C                  3.25317600   -0.91402600   -3.13712300
 C                  3.42746500    0.51259900   -2.98770800
 C                  2.79272800    1.37536100   -3.87945500
 C                  2.13732100    2.56811300   -3.37521100
 C                  2.15601000    2.84374600   -2.00421800
 C                  0.89188800    2.72773800   -0.02335200
 C                 -0.33831500    2.32952700    0.50365400
 C                 -0.45955500    1.06887800    1.21956000
 C                  0.65114300    0.25405100    1.38594800
 C                  1.73242200   -1.68647000    0.57330900
 C                  1.63016700   -2.69710000   -0.37487100
 C                  2.40334600   -2.62031500   -1.59926300
 C                  2.52155900   -1.44534700   -4.19029800
 C                  1.66159400   -2.59102200   -3.95366200
 C                  1.60288200   -3.16295100   -2.68065800
 C                  0.32453600   -3.57662000   -2.12230600
 C                  0.34430200   -3.31688600   -0.69829000
 C                 -0.79666900   -2.80251600   -0.07655000
 C                 -0.72149500   -1.76578000    0.92656200
 C                 -1.84819400   -0.89438300    0.72872200
 C                 -1.76770700    0.49472000    0.92244100
 C                  0.95469200    3.32957500   -1.34700300
 C                 -1.55012600    2.52506800   -0.26509100
 C                  3.34115000   -0.46425900   -0.85132800
 C                  0.54951800   -1.24447500    1.37790000
 C                  0.83891300   -1.67239100    3.26079700
 N                  0.53509500   -1.49103600    4.38211900
 K                  1.02215000   -2.09312100    7.15756500
 K                  1.88631600    1.54103900    4.52900100
 N                  2.01549400    0.62531700    7.24291300
 C                 -1.82786300   -1.70643500    7.63190500
 C                 -0.80770400    2.57455500    4.60242300
 C                  1.23966200    1.20898500    7.91330900
 N                 -2.56469200   -0.85544500    7.27894400
 N                 -1.85401600    2.27219200    5.05459500
 K                 -1.64141100    1.83158200    7.91073200
 K                 -2.40078200   -0.48229700    4.42605100

9 36 F

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

K 0
LanL2DZ

solventname=c60
eps=4.08
epsinf=3.83



