%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                 -3.22807300    0.40296200   -3.37222900
 C                 -3.12465100    1.46745000   -2.38741000
 C                 -2.30518400    2.57257600   -2.61906500
 C                 -1.52374900    2.64070400   -3.84051100
 C                 -1.60979000    1.61403800   -4.78417200
 C                 -2.48066800    0.47314300   -4.54553100
 C                 -3.34881800   -0.85820300   -2.65857600
 C                 -3.31651400   -0.56693200   -1.23592400
 C                 -3.16632000    0.86137300   -1.07770800
 C                 -2.42059400    1.38083000   -0.01950900
 C                 -1.49805700    3.10405200   -1.53444100
 C                 -0.23288300    3.22633100   -3.51324600
 C                  0.92095600    2.75924900   -4.14353000
 C                  0.83239600    1.69084100   -5.12751600
 C                 -0.40734400    1.12654200   -5.43680200
 C                 -0.53781700   -0.31273400   -5.60513900
 C                 -1.81867900   -0.71879500   -5.05198100
 C                 -1.93437800   -1.93022500   -4.36624700
 C                 -2.71672100   -2.00182100   -3.14367200
 C                 -2.67202800   -1.43252000   -0.35348100
 C                 -2.01694300   -2.61841700   -0.85567700
 C                 -2.03598000   -2.90212100   -2.22492300
 C                 -0.84237000   -3.39713700   -2.87944700
 C                 -0.77232800   -2.78962300   -4.19767300
 C                  0.45652900   -2.40208800   -4.73494700
 C                  0.57547100   -1.13772900   -5.44590500
 C                  1.86351100   -0.55077600   -5.11706000
 C                  1.99084700    0.83174000   -4.96077900
 C                 -0.21635500    3.51004500   -2.08767000
 C                  3.46362100    0.79955500   -1.56735100
 C                  2.83397400    1.94293200   -1.08342600
 C                  2.04798600    1.87131900    0.14098000
 C                  1.91452000    0.65031000    0.81419300
 C                  2.57739400   -0.54351200    0.31249700
 C                  3.23954900   -1.52527400   -1.83013600
 C                  3.27201400   -0.91897200   -3.14217100
 C                  3.43462300    0.51087600   -2.98896900
 C                  2.79565600    1.37402300   -3.87837500
 C                  2.13781000    2.56580800   -3.37353800
 C                  2.15545600    2.84205100   -2.00318600
 C                  0.88963200    2.72552700   -0.02361600
 C                 -0.34132400    2.32765600    0.50260400
 C                 -0.46263300    1.06743300    1.21777100
 C                  0.64869600    0.25308400    1.38385600
 C                  1.73172100   -1.68663600    0.57205100
 C                  1.63064200   -2.69617600   -0.37670300
 C                  2.40609400   -2.62017600   -1.60025800
 C                  2.52876000   -1.44653900   -4.19138900
 C                  1.66539200   -2.59052600   -3.95397700
 C                  1.60494100   -3.16231200   -2.68123700
 C                  0.32556200   -3.57519900   -2.12335900
 C                  0.34431100   -3.31515300   -0.69992200
 C                 -0.79737100   -2.80089300   -0.07865000
 C                 -0.72344900   -1.76524800    0.92502000
 C                 -1.85120900   -0.89441400    0.72772900
 C                 -1.77213200    0.49462600    0.92152200
 C                  0.95336900    3.32775100   -1.34641900
 C                 -1.55440600    2.52407800   -0.26464800
 C                  3.34263200   -0.46571200   -0.85245700
 C                  0.54783100   -1.24491100    1.37619900
 C                  0.83725200   -1.67221500    3.25923100
 N                  0.53553000   -1.49028300    4.38099600
 K                  1.02458700   -2.09343900    7.15693100
 K                  1.88710700    1.54069200    4.52725300
 N                  2.01708300    0.62462300    7.24137500
 C                 -1.82477000   -1.70442000    7.63179700
 C                 -0.80549000    2.57581800    4.60385800
 C                  1.24200500    1.21028600    7.91092400
 N                 -2.56408200   -0.85481700    7.28066400
 N                 -1.85313100    2.27645000    5.05495500
 K                 -1.63885600    1.83231100    7.91166700
 K                 -2.40135500   -0.47796100    4.42750000

9 36 F

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

K 0
LanL2DZ

solventname=c60
eps=4.08
epsinf=3.83



