%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                 -3.23614000    0.40646300   -3.36764200
 C                 -3.14895100    1.47351900   -2.38079200
 C                 -2.31601000    2.57208900   -2.61192100
 C                 -1.52489100    2.63731700   -3.82822700
 C                 -1.60548900    1.61123400   -4.76965500
 C                 -2.47957400    0.47412500   -4.53689000
 C                 -3.35808400   -0.85534000   -2.65738100
 C                 -3.34416300   -0.56344500   -1.23296100
 C                 -3.22963100    0.87466700   -1.06185500
 C                 -2.44773600    1.38263700   -0.01542100
 C                 -1.50706000    3.10222700   -1.52820900
 C                 -0.23256200    3.22105700   -3.50148400
 C                  0.92482200    2.75428500   -4.12868500
 C                  0.84065200    1.68721600   -5.11085900
 C                 -0.39807300    1.12067900   -5.40684800
 C                 -0.52882100   -0.31232700   -5.58936200
 C                 -1.81400300   -0.71574600   -5.04470400
 C                 -1.93135600   -1.92696200   -4.36395600
 C                 -2.71890100   -1.99741900   -3.14462000
 C                 -2.68780300   -1.43159200   -0.35858700
 C                 -2.02489400   -2.61474300   -0.86303900
 C                 -2.03873800   -2.90012000   -2.23016300
 C                 -0.84155500   -3.39450900   -2.88231600
 C                 -0.76682600   -2.78516100   -4.19704000
 C                  0.46602000   -2.39981800   -4.73059300
 C                  0.58660400   -1.13554600   -5.43583200
 C                  1.87874100   -0.55224500   -5.10969800
 C                  2.00208700    0.83000200   -4.94973500
 C                 -0.22069500    3.50585700   -2.07841900
 C                  3.46984400    0.79362700   -1.56416800
 C                  2.83334700    1.93569400   -1.07823100
 C                  2.04185600    1.86516100    0.14250100
 C                  1.90648900    0.64397100    0.80994600
 C                  2.57327300   -0.54759700    0.30773100
 C                  3.26142300   -1.53447800   -1.83233700
 C                  3.33148100   -0.93523600   -3.15367800
 C                  3.45939900    0.50466700   -2.98761700
 C                  2.80865700    1.37034700   -3.86889200
 C                  2.14293700    2.55982200   -3.36175400
 C                  2.15567200    2.83764400   -1.99358200
 C                  0.88157000    2.71870300   -0.01988700
 C                 -0.35333100    2.32245300    0.50208600
 C                 -0.47620400    1.06231700    1.21117100
 C                  0.63643700    0.24924600    1.37040500
 C                  1.72515200   -1.68719100    0.56261400
 C                  1.62957100   -2.69574600   -0.38408900
 C                  2.41452500   -2.62278900   -1.60289300
 C                  2.55318300   -1.45141800   -4.19130300
 C                  1.67870200   -2.59105300   -3.95394500
 C                  1.61140100   -3.16314900   -2.68278800
 C                  0.32716100   -3.57292400   -2.12796500
 C                  0.34117400   -3.31159500   -0.70700500
 C                 -0.80404600   -2.79782800   -0.08895900
 C                 -0.73471500   -1.76423300    0.91369200
 C                 -1.86572800   -0.89572800    0.72150600
 C                 -1.78973000    0.49308600    0.91747500
 C                  0.94989900    3.32285600   -1.33916900
 C                 -1.57031500    2.52176300   -0.26041600
 C                  3.34792000   -0.47226500   -0.85299300
 C                  0.53606400   -1.24365400    1.35528000
 C                  0.83041700   -1.66139300    3.23969200
 N                  0.53430900   -1.47778700    4.36276000
 K                  1.03873800   -2.08495800    7.13599000
 K                  1.88872600    1.55027600    4.51144500
 N                  2.02799000    0.63411500    7.22234700
 C                 -1.80715400   -1.70166200    7.62694600
 C                 -0.80525100    2.58210700    4.59501100
 C                  1.25622900    1.22001300    7.89543900
 N                 -2.54898900   -0.85244900    7.28039300
 N                 -1.85023100    2.28103200    5.05102900
 K                 -1.62476900    1.83740600    7.90664200
 K                 -2.40103900   -0.47440100    4.42748000

15 61 F

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

K 0
LanL2DZ

solventname=c60
eps=4.08
epsinf=3.83


