%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                 -3.24567100    0.40910200   -3.35956100
 C                 -3.15707600    1.47097700   -2.36390300
 C                 -2.32211100    2.57580900   -2.57626300
 C                 -1.51922300    2.64594800   -3.78096000
 C                 -1.59200600    1.61371300   -4.71053100
 C                 -2.47852900    0.48242300   -4.51721700
 C                 -3.37079600   -0.86257300   -2.66696300
 C                 -3.36144800   -0.58059000   -1.24143500
 C                 -3.24364500    0.85782800   -1.05449500
 C                 -2.46210900    1.35934600   -0.00318300
 C                 -1.51318700    3.09812500   -1.48860300
 C                 -0.22535300    3.22735800   -3.45072600
 C                  0.93774000    2.76376200   -4.07304900
 C                  0.85698500    1.69493400   -5.04659700
 C                 -0.37423000    1.10849900   -5.28592300
 C                 -0.51515000   -0.30005200   -5.54467400
 C                 -1.81120800   -0.70432000   -5.03523600
 C                 -1.93412500   -1.92418900   -4.37848000
 C                 -2.72944000   -2.00267500   -3.16444900
 C                 -2.70828900   -1.46031400   -0.37761600
 C                 -2.04338100   -2.64146300   -0.89262600
 C                 -2.05018000   -2.91577300   -2.26074500
 C                 -0.84736600   -3.40391300   -2.91317100
 C                 -0.76592800   -2.78288900   -4.21939200
 C                  0.47404800   -2.39727000   -4.74402500
 C                  0.59995800   -1.12280900   -5.42370800
 C                  1.89224400   -0.53967100   -5.09298800
 C                  2.01878600    0.84090900   -4.91205900
 C                 -0.21992400    3.50389900   -2.02940000
 C                  3.47740900    0.77901200   -1.53805100
 C                  2.84012800    1.92056900   -1.04237700
 C                  2.04002500    1.84243200    0.17152600
 C                  1.89737200    0.61041800    0.81106300
 C                  2.56569700   -0.57811900    0.30272800
 C                  3.26594800   -1.55337600   -1.83326100
 C                  3.34198800   -0.94017500   -3.14575600
 C                  3.47317700    0.50015100   -2.96292300
 C                  2.82606900    1.37759700   -3.83312000
 C                  2.15832300    2.56617700   -3.31530600
 C                  2.16439400    2.83440500   -1.94671000
 C                  0.87786400    2.69778300    0.01844100
 C                 -0.36434900    2.29902800    0.52934500
 C                 -0.49197200    1.02893900    1.21094600
 C                  0.61742600    0.21580200    1.33227200
 C                  1.70799800   -1.71365000    0.52461100
 C                  1.62022000   -2.72535200   -0.41346300
 C                  2.41625000   -2.64663700   -1.62175600
 C                  2.56434200   -1.44976000   -4.18859800
 C                  1.68702500   -2.59444700   -3.96926400
 C                  1.61344500   -3.17853700   -2.70594100
 C                  0.32273200   -3.58959300   -2.16049400
 C                  0.33013800   -3.33736700   -0.74091500
 C                 -0.82063500   -2.82893200   -0.12608100
 C                 -0.75447700   -1.79681600    0.87220700
 C                 -1.88594900   -0.92874500    0.70068500
 C                 -1.80561300    0.45770400    0.91401600
 C                  0.95269800    3.31415500   -1.29236800
 C                 -1.58230600    2.50426300   -0.22962800
 C                  3.35282100   -0.49695200   -0.84538200
 C                  0.50979000   -1.26301400    1.27275600
 C                  0.82123800   -1.60796700    3.16910200
 N                  0.53143400   -1.38924900    4.28828300
 K                  1.07821200   -2.00689100    7.05438500
 K                  1.85886900    1.62055000    4.45080700
 N                  2.04931500    0.71549000    7.16083700
 C                 -1.76403000   -1.67718600    7.60985600
 C                 -0.84087800    2.64003300    4.55678300
 C                  1.28440700    1.28651500    7.85430100
 N                 -2.50002100   -0.81990900    7.27062300
 N                 -1.86531000    2.31006100    5.03883900
 K                 -1.60615000    1.87388100    7.88908700
 K                 -2.39544000   -0.45124300    4.41689100

15 61 F

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

K 0
LanL2DZ

solventname=c60
eps=4.08
epsinf=3.83



