%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                 -3.23800100    0.40710400   -3.36609000
 C                 -3.15022400    1.47390400   -2.37834200
 C                 -2.31677000    2.57347600   -2.60662700
 C                 -1.52333600    2.63852400   -3.82063300
 C                 -1.60270300    1.61058200   -4.75896200
 C                 -2.47945200    0.47486800   -4.53311000
 C                 -3.36078800   -0.85614000   -2.65844600
 C                 -3.34756100   -0.56504000   -1.23407000
 C                 -3.23208300    0.87327600   -1.06087300
 C                 -2.45004800    1.38068400   -0.01398200
 C                 -1.50766500    3.10283200   -1.52269500
 C                 -0.23067200    3.22200000   -3.49390900
 C                  0.92766900    2.75515700   -4.11983000
 C                  0.84408000    1.68719200   -5.09965300
 C                 -0.39331400    1.11652400   -5.38344500
 C                 -0.52636300   -0.31179100   -5.58017600
 C                 -1.81375800   -0.71485000   -5.04211000
 C                 -1.93230400   -1.92726400   -4.36527900
 C                 -2.72137300   -1.99831200   -3.14693500
 C                 -2.69185800   -1.43489800   -0.36131600
 C                 -2.02877700   -2.61812300   -0.86702900
 C                 -2.04135900   -2.90245700   -2.23406700
 C                 -0.84313600   -3.39623300   -2.88597500
 C                 -0.76708300   -2.78552900   -4.19941200
 C                  0.46721800   -2.40074000   -4.73155900
 C                  0.58896200   -1.13492200   -5.43252500
 C                  1.88123700   -0.55158700   -5.10624400
 C                  2.00534400    0.83042000   -4.94308000
 C                 -0.21991900    3.50626400   -2.07146400
 C                  3.47175400    0.79153600   -1.56020400
 C                  2.83521700    1.93388200   -1.07311100
 C                  2.04215700    1.86292700    0.14640800
 C                  1.90524300    0.64017000    0.80930900
 C                  2.57209800   -0.55124100    0.30651300
 C                  3.26234100   -1.53765300   -1.83193200
 C                  3.33357800   -0.93669400   -3.15196200
 C                  3.46233200    0.50341700   -2.98366700
 C                  2.81226100    1.37082800   -3.86325200
 C                  2.14634000    2.56055900   -3.35481900
 C                  2.15791400    2.83755200   -1.98682400
 C                  0.88154400    2.71676200   -0.01467000
 C                 -0.35482100    2.32068000    0.50557400
 C                 -0.47880000    1.05905500    1.21019700
 C                  0.63326300    0.24597300    1.36272000
 C                  1.72190300   -1.68968600    0.55561800
 C                  1.62764900   -2.69963600   -0.38846100
 C                  2.41475600   -2.62668800   -1.60518600
 C                  2.55519700   -1.45230900   -4.19008000
 C                  1.68002900   -2.59269200   -3.95535500
 C                  1.61151700   -3.16617200   -2.68536300
 C                  0.32596300   -3.57559800   -2.13200200
 C                  0.33880300   -3.31487100   -0.71159700
 C                 -0.80740000   -2.80143900   -0.09465000
 C                 -0.73852200   -1.76730400    0.90612600
 C                 -1.86940800   -0.89901700    0.71771800
 C                 -1.79243100    0.48943000    0.91644500
 C                  0.95113300    3.32236600   -1.33269600
 C                 -1.57204900    2.52070100   -0.25623500
 C                  3.34913400   -0.47580700   -0.85180300
 C                  0.53111200   -1.24399000    1.33908400
 C                  0.82844100   -1.65002900    3.22558200
 N                  0.53439800   -1.46425100    4.34893300
 K                  1.04795900   -2.07336000    7.12068900
 K                  1.88092200    1.56240900    4.50114200
 N                  2.03150700    0.64710500    7.21071800
 C                 -1.79753200   -1.70161500    7.62348600
 C                 -0.81560900    2.58908800    4.58899300
 C                  1.26126400    1.23008700    7.88806200
 N                 -2.53892500   -0.85134400    7.27862100
 N                 -1.85634800    2.28176600    5.05050500
 K                 -1.62221400    1.83984300    7.90432600
 K                 -2.40062200   -0.47448400    4.42595600

15 61 F

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

K 0
LanL2DZ

solventname=c60
eps=4.08
epsinf=3.83



