%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                 -3.23405200    0.40660200   -3.36686800
 C                 -3.14643400    1.47353100   -2.38075800
 C                 -2.31399300    2.57088000   -2.61502300
 C                 -1.52617000    2.63640800   -3.83418700
 C                 -1.60906100    1.61271800   -4.77917300
 C                 -2.48036700    0.47431900   -4.53876900
 C                 -3.35501900   -0.85383700   -2.65419200
 C                 -3.33913300   -0.56155300   -1.22970500
 C                 -3.22473500    0.87607800   -1.06058700
 C                 -2.44258900    1.38430000   -0.01482900
 C                 -1.50439900    3.10136900   -1.53199100
 C                 -0.23396900    3.22007000   -3.50818800
 C                  0.92174600    2.75324500   -4.13765000
 C                  0.83596300    1.68752500   -5.12259500
 C                 -0.40452900    1.12583300   -5.43103300
 C                 -0.53329000   -0.31198500   -5.59871000
 C                 -1.81569200   -0.71565800   -5.04617400
 C                 -1.93168700   -1.92577100   -4.36176700
 C                 -2.71678600   -1.99582700   -3.14091800
 C                 -2.68174200   -1.42830400   -0.35435700
 C                 -2.01977100   -2.61141700   -0.85831400
 C                 -2.03603600   -2.89749100   -2.22558300
 C                 -0.84062600   -3.39265700   -2.87902700
 C                 -0.76812300   -2.78430300   -4.19489300
 C                  0.46287400   -2.39852400   -4.73067500
 C                  0.58204500   -1.13564300   -5.43996300
 C                  1.87437300   -0.55283400   -5.11475100
 C                  1.99738500    0.82949200   -4.95769700
 C                 -0.21982800    3.50507200   -2.08444800
 C                  3.46888100    0.79441100   -1.57052200
 C                  2.83323300    1.93626900   -1.08506900
 C                  2.04417000    1.86594500    0.13734600
 C                  1.91057200    0.64623500    0.80908000
 C                  2.57658200   -0.54550400    0.30685800
 C                  3.26054900   -1.53235900   -1.83551300
 C                  3.32827000   -0.93445600   -3.15795000
 C                  3.45614100    0.50497900   -2.99397700
 C                  2.80443800    1.36925900   -3.87628500
 C                  2.13971300    2.55847500   -3.36972700
 C                  2.15477200    2.83684700   -2.00135400
 C                  0.88456800    2.71956500   -0.02516700
 C                 -0.34852200    2.32328700    0.49945900
 C                 -0.46998900    1.06451600    1.21277000
 C                  0.64310000    0.25127800    1.37774600
 C                  1.73066400   -1.68629600    0.56822200
 C                  1.63264400   -2.69299300   -0.38167800
 C                  2.41446400   -2.61984700   -1.60311900
 C                  2.54962600   -1.45084000   -4.19475700
 C                  1.67585900   -2.58957200   -3.95448100
 C                  1.61062100   -3.16058300   -2.68229400
 C                  0.32815600   -3.57060900   -2.12520100
 C                  0.34453700   -3.30920600   -0.70361400
 C                 -0.79900100   -2.79488400   -0.08337300
 C                 -0.72819100   -1.76227600    0.92158900
 C                 -1.85924200   -0.89298400    0.72632300
 C                 -1.78376100    0.49595100    0.91970300
 C                  0.95072400    3.32263400   -1.34558600
 C                 -1.56574100    2.52238700   -0.26290000
 C                  3.34789900   -0.47014200   -0.85677100
 C                  0.54419900   -1.24500800    1.37151200
 C                  0.83582200   -1.67195500    3.25428500
 N                  0.53824000   -1.48769700    4.37673400
 K                  1.03320100   -2.09089600    7.15378700
 K                  1.88896200    1.54185900    4.52086200
 N                  2.02171600    0.62450500    7.23747600
 C                 -1.81656200   -1.69982400    7.63033300
 C                 -0.80295900    2.57703300    4.60596400
 C                  1.24408400    1.21117700    7.90319700
 N                 -2.56507000   -0.85707600    7.28211400
 N                 -1.85507800    2.28431700    5.05097200
 K                 -1.63815300    1.82998300    7.90801900
 K                 -2.40148300   -0.47236400    4.42882800

9 36 F

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

K 0
LanL2DZ

solventname=c60
eps=4.08
epsinf=3.83



