%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                 -3.49542500    4.47401200    0.20128700
 C                 -2.75430900    4.00065000   -0.95761700
 C                 -3.42301900    3.70146000   -2.15143400
 C                 -4.86625800    3.83676700   -2.22195700
 C                 -5.57885800    4.27863300   -1.10485300
 C                 -4.88088700    4.60968900    0.12859400
 C                 -2.87800300    3.92629400    1.39728100
 C                 -1.76080800    3.11162100    0.98622100
 C                 -1.68709500    3.15143600   -0.49092300
 C                 -1.32074300    2.03582700   -1.21310000
 C                 -3.04694600    2.52571700   -2.89838500
 C                 -5.37985000    2.73897900   -3.02888000
 C                 -6.58753700    2.12841600   -2.68326200
 C                 -7.33075000    2.59368000   -1.52358500
 C                 -6.83435900    3.64580700   -0.74703500
 C                 -6.91904200    3.59570800    0.70369400
 C                 -5.71055400    4.18992700    1.24787900
 C                 -5.11998000    3.65726100    2.39675400
 C                 -3.67939700    3.52942000    2.48067200
 C                 -1.51029800    1.92435500    1.64362000
 C                 -2.31684500    1.50840500    2.75306000
 C                 -3.38792100    2.29312500    3.17519100
 C                 -4.64111600    1.65555400    3.55023500
 C                 -5.71134900    2.49422800    3.05459600
 C                 -6.87637300    1.92668900    2.53183700
 C                 -7.48238100    2.48246500    1.33153000
 C                 -7.97830000    1.38342200    0.52406300
 C                 -7.91144300    1.43650000   -0.87096600
 C                 -4.25350300    1.92311200   -3.44221300
 C                 -6.10196700   -1.75064600   -1.38026000
 C                 -5.32049100   -1.34527600   -2.46156800
 C                 -3.87731600   -1.46985500   -2.37939300
 C                 -3.27391600   -1.98946800   -1.22287600
 C                 -4.09389000   -2.41305600   -0.09769500
 C                 -6.20755900   -1.83242200    0.96470600
 C                 -7.23480000   -0.95072000    0.48750600
 C                 -7.21129600   -0.92446800   -0.95808800
 C                 -7.52715400    0.25759700   -1.62774800
 C                 -6.71462800    0.68191800   -2.75182400
 C                 -5.62903800   -0.10346800   -3.15477800
 C                 -3.29718000   -0.31757900   -3.02542700
 C                 -2.14548200    0.25612800   -2.48115800
 C                 -1.51176300   -0.31640000   -1.32243600
 C                 -2.05579700   -1.42455200   -0.71670300
 C                 -3.41290000   -2.13934600    1.13447800
 C                 -4.11346000   -1.65381500    2.23742700
 C                 -5.54960800   -1.51158400    2.15338600
 C                 -7.65487900    0.15255100    1.21696300
 C                 -6.97950500    0.48234100    2.45689500
 C                 -5.94264200   -0.33598200    2.91237800
 C                 -4.73850900    0.25603300    3.46633600
 C                 -3.61089100   -0.57516400    3.09104500
 C                 -2.43838700    0.05578200    2.66308200
 C                 -1.65997300   -0.39236600    1.55591300
 C                 -1.04849700    0.71409400    0.94097100
 C                 -0.75108500    0.76104500   -0.56850600
 C                 -4.37395100    0.53284300   -3.51070100
 C                 -2.02205400    1.70359700   -2.41251800
 C                 -5.48579000   -2.31383600   -0.18694100
 C                 -1.96235500   -1.67993300    0.81416600
 C                  3.79979900    3.67521600    2.20559200
 C                  5.23900000    3.73365900    2.11728500
 C                  5.84517800    4.10308400    0.91423100
 C                  5.05695000    4.42888000   -0.25910400
 C                  3.67125400    4.35355000   -0.18747900
 C                  3.02486600    3.96075900    1.06304000
 C                  3.46479700    2.53358900    3.03477900
 C                  4.69739100    1.89390800    3.47774200
 C                  5.79976700    2.64134000    2.90632900
 C                  6.93709200    1.96243800    2.46623000
 C                  6.98069300    3.35774300    0.45830900
 C                  5.75584500    3.92541000   -1.43816500
 C                  5.04640100    3.38028800   -2.50793100
 C                  3.59969900    3.30583000   -2.43827600
 C                  2.93270400    3.77450400   -1.29422300
 C                  1.83702500    3.02365700   -0.73630500
 C                  1.87826800    3.15919100    0.73361400
 C                  1.58835700    2.04216500    1.51626300
 C                  2.37554100    1.73737000    2.69541700
 C                  4.77820700    0.50165200    3.58397400
 C                  3.62728500   -0.32176900    3.24762200
 C                  2.45737100    0.29527700    2.80391100
 C                  1.71494400   -0.25924600    1.69150600
 C                  1.07323000    0.81461600    0.96642900
 C                  0.81207900    0.70344300   -0.55041200
 C                  1.44624300    1.84537600   -1.33493000
 C                  2.13917500    1.34150600   -2.47810000
 C                  3.19404000    2.06247700   -3.04701900
 C                  6.96732000    3.27874400   -0.98745600
 C                  5.68844900   -0.66783500   -2.94559300
 C                  6.79678700    0.11673900   -2.62086400
 C                  7.59176200   -0.20246300   -1.44645100
 C                  7.25306300   -1.29611100   -0.64382500
 C                  6.09966800   -2.10646200   -0.97930900
 C                  3.88523800   -1.87085600   -2.03788000
 C                  3.34572700   -0.78767400   -2.82522300
 C                  4.45935300   -0.03512200   -3.39215000
 C                  4.38495900    1.35409900   -3.49787400
 C                  5.53506500    2.17355400   -3.16341200
 C                  6.71638500    1.56486600   -2.73187900
 C                  8.00380300    1.04587200   -0.83240000
 C                  8.05327500    1.15149200    0.55931600
 C                  7.71735700    0.01554000    1.39729900
 C                  7.31643700   -1.18403400    0.80770000
 C                  6.20863200   -1.93360600    1.37156900
 C                  5.45005800   -2.49539500    0.26611700
 C                  4.05754600   -2.55177400    0.33312600
 C                  3.26044300   -2.22702700   -0.83593700
 C                  2.20751100   -0.10958000   -2.36940400
 C                  1.53052800   -0.50948900   -1.16249000
 C                  2.07355800   -1.52566900   -0.39318200
 C                  2.13390300   -1.43450800    1.08214300
 C                  3.35909000   -2.05709400    1.51501000
 C                  4.09636700   -1.52547600    2.59030800
 C                  5.53994900   -1.45091700    2.50340100
 C                  5.96400200   -0.20142700    3.12309500
 C                  7.02652000    0.51613200    2.57701100
 C                  7.45454300    2.13509900   -1.62129600
 C                  7.56088800    2.34652700    1.21702400
 C                  5.33346200   -1.80484500   -2.10877400
 C                 -1.00067300   -2.76304100    1.10410200
 N                 -0.26563300   -3.63440600    1.32699100
 K                  1.88409500   -5.51174900    1.62674000
 N                 -0.42079800   -7.26456100    2.18526700
 K                 -2.84891100   -5.85337600    1.47059000
 C                 -0.35955700   -8.08237300    1.33691800
 C                 -2.40424600   -5.78566600   -1.39320600
 K                  0.05513300   -8.07088900   -1.57208800
 K                  0.14570900   -3.64425800   -2.75948900
 N                 -1.70275900   -5.74989000   -2.33993800
 C                  2.15580200   -5.52872400   -1.90498300
 N                  2.37033200   -6.31986800   -1.05730800

36 71 F

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

K 0
LanL2DZ

solventname=c60
eps=4.08
epsinf=3.83


