%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                 -3.22238200    0.40010000   -3.37532600
 C                 -3.10213400    1.46220200   -2.39208400
 C                 -2.29588800    2.57502600   -2.62196700
 C                 -1.52140400    2.64527700   -3.84620900
 C                 -1.61127400    1.61541300   -4.78825100
 C                 -2.48189400    0.47228500   -4.55054300
 C                 -3.34281800   -0.86161600   -2.66030800
 C                 -3.29293600   -0.57098100   -1.23967800
 C                 -3.10663500    0.84784700   -1.09292300
 C                 -2.39673400    1.37854500   -0.02307000
 C                 -1.49037100    3.10753800   -1.53638200
 C                 -0.23146000    3.23254600   -3.51849800
 C                  0.92013800    2.76479100   -4.15013700
 C                  0.82801500    1.69354300   -5.13286900
 C                 -0.41132600    1.12684600   -5.44211600
 C                 -0.54389100   -0.31389700   -5.61070900
 C                 -1.82305600   -0.72187500   -5.05606500
 C                 -1.93837900   -1.93445500   -4.36868800
 C                 -2.71736500   -2.00718100   -3.14393700
 C                 -2.66158800   -1.43554700   -0.35021800
 C                 -2.01379800   -2.62454400   -0.85080700
 C                 -2.03631900   -2.90615100   -2.22200400
 C                 -0.84487800   -3.40131800   -2.87816400
 C                 -0.77785100   -2.79493600   -4.19892000
 C                  0.44871400   -2.40613500   -4.73850500
 C                  0.56732400   -1.14043600   -5.45152400
 C                  1.85151700   -0.54960500   -5.11997100
 C                  1.98347700    0.83318300   -4.96478800
 C                 -0.21167300    3.51534100   -2.09120300
 C                  3.45942400    0.80425500   -1.56609300
 C                  2.83626000    1.94943700   -1.08352000
 C                  2.05391700    1.87693600    0.14330300
 C                  1.92066400    0.65483500    0.81835000
 C                  2.57993800   -0.54129500    0.31710200
 C                  3.21874300   -1.51849300   -1.82598100
 C                  3.21550800   -0.90418700   -3.12758300
 C                  3.41309500    0.51594100   -2.98569600
 C                  2.78696500    1.37807400   -3.88207700
 C                  2.13639700    2.57270000   -3.37880200
 C                  2.15735600    2.84712900   -2.00651300
 C                  0.89688500    2.73199100   -0.02284400
 C                 -0.33176600    2.33311600    0.50589300
 C                 -0.45279000    1.07156100    1.22324400
 C                  0.65670600    0.25579400    1.38993700
 C                  1.73437100   -1.68640500    0.57555200
 C                  1.62964900   -2.69910700   -0.37159000
 C                  2.39817900   -2.62079200   -1.59773500
 C                  2.50692100   -1.44282300   -4.18835300
 C                  1.65394600   -2.59206200   -3.95343800
 C                  1.59880000   -3.16426600   -2.67990700
 C                  0.32263700   -3.57956400   -2.12045700
 C                  0.34459600   -3.32043000   -0.69528300
 C                 -0.79489000   -2.80595800   -0.07245100
 C                 -0.71701800   -1.76697800    0.92954500
 C                 -1.84158100   -0.89452600    0.73091000
 C                 -1.75839800    0.49477200    0.92459600
 C                  0.95764400    3.33309500   -1.34820000
 C                 -1.54118700    2.52696800   -0.26562400
 C                  3.33854400   -0.46154200   -0.84966800
 C                  0.55355300   -1.24385100    1.38103700
 C                  0.84196500   -1.67251600    3.26391500
 N                  0.53333700   -1.49127700    4.38399600
 K                  1.01690900   -2.09111600    7.15916000
 K                  1.88352100    1.54156200    4.53169800
 N                  2.01106800    0.62760900    7.24613100
 C                 -1.83517100   -1.71169700    7.63276100
 C                 -0.81172300    2.57390500    4.60030000
 C                  1.23337400    1.20638100    7.91860300
 N                 -2.56660000   -0.85768500    7.27587300
 N                 -1.85528000    2.26484200    5.05432600
 K                 -1.64815300    1.82931100    7.90959500
 K                 -2.40043700   -0.49027700    4.42286500

9 36 F

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

K 0
LanL2DZ

solventname=c60
eps=4.08
epsinf=3.83



