%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                 -3.65615500    4.07993300    1.83318500
 C                 -2.93192100    4.30635900    0.59351600
 C                 -3.63463500    4.58698600   -0.58463600
 C                 -5.08576900    4.63236300   -0.57139200
 C                 -5.77574500    4.40601400    0.62051100
 C                 -5.04874200    4.13426500    1.84979800
 C                 -2.95866100    3.05505200    2.58987500
 C                 -1.80170300    2.64210800    1.83134900
 C                 -1.78384800    3.42571300    0.57211900
 C                 -1.37142600    2.85562300   -0.61510000
 C                 -3.22057700    3.96929200   -1.82171500
 C                 -5.56846800    4.04343200   -1.81079700
 C                 -6.72132200    3.25337100   -1.80571800
 C                 -7.44270200    3.02719200   -0.56684800
 C                 -6.96649200    3.58164600    0.62110300
 C                 -6.99646300    2.81984600    1.85692700
 C                 -5.80791000    3.15597700    2.61588800
 C                 -5.14160200    2.16956900    3.34391500
 C                 -3.69165900    2.12065600    3.33652200
 C                 -1.42641800    1.31481500    1.83104200
 C                 -2.19530800    0.34841300    2.55511700
 C                 -3.30034900    0.73207300    3.31962200
 C                 -4.50114100   -0.09365600    3.34211200
 C                 -5.63969900    0.79861600    3.33825000
 C                 -6.79315700    0.47852600    2.61193300
 C                 -7.47587400    1.50788600    1.85162800
 C                 -7.95215000    0.91842100    0.61013900
 C                 -7.93660800    1.66109600   -0.57216000
 C                 -4.41288100    3.62970300   -2.58478800
 C                 -5.96911900   -0.70801400   -2.59917500
 C                 -5.24863800    0.23531800   -3.33639800
 C                 -3.79675200    0.19847100   -3.33563200
 C                 -3.11732400   -0.76938400   -2.58708300
 C                 -3.87215400   -1.74412500   -1.81805900
 C                 -5.99873100   -1.96198500   -0.60865400
 C                 -7.14664900   -1.07445200   -0.59654100
 C                 -7.12824700   -0.29919100   -1.82942700
 C                 -7.51904800    1.04132200   -1.81793100
 C                 -6.76982000    2.02536300   -2.58150300
 C                 -5.65633700    1.63005700   -3.32666600
 C                 -3.30978500    1.55671200   -3.33365100
 C                 -2.17091400    1.87145000   -2.58614300
 C                 -1.45531700    0.85605000   -1.85733400
 C                 -1.92251400   -0.43447700   -1.85328700
 C                 -3.15129700   -2.03305700   -0.60698100
 C                 -3.84868100   -2.25799500    0.57883800
 C                 -5.30087200   -2.21512100    0.57608500
 C                 -7.55154800   -0.47721700    0.59871500
 C                 -6.83007700   -0.74652800    1.83312600
 C                 -5.72609600   -1.60215500    1.82054400
 C                 -4.52914200   -1.26824200    2.58124700
 C                 -3.37123100   -1.71450800    1.83233200
 C                 -2.23795500   -0.87474600    1.75694100
 C                 -1.45057700   -0.70266400    0.59129400
 C                 -0.73640300    0.64428500    0.65826300
 C                 -0.70964300    1.48532500   -0.69142800
 C                 -4.45577800    2.45045300   -3.32881900
 C                 -2.12321400    3.10138100   -1.81642500
 C                 -5.27170100   -1.73532000   -1.84223400
 C                 -1.83083000   -1.33300200   -0.64040400
 C                 -0.65144000   -2.75200200   -1.18636400
 C                  3.90673300    2.07240200    3.29149200
 C                  5.35816300    2.03567500    3.29621700
 C                  6.08252900    2.94175900    2.51887500
 C                  5.38299600    3.92319400    1.70457500
 C                  3.98879800    3.94712500    1.68931700
 C                  3.23166900    3.00410500    2.49395300
 C                  3.42440000    0.71305800    3.35125900
 C                  4.57462400   -0.17885100    3.39478400
 C                  5.77247600    0.64272900    3.36024000
 C                  6.89168100    0.21400300    2.64339400
 C                  7.24679200    2.49669200    1.77812000
 C                  6.12484200    4.09320300    0.46488700
 C                  5.44159900    4.29524700   -0.73587300
 C                  3.99032900    4.33560900   -0.74769100
 C                  3.27490000    4.15594500    0.44215900
 C                  2.07465700    3.34853200    0.46373900
 C                  2.04626600    2.62257000    1.75631600
 C                  1.57035300    1.32933000    1.83228300
 C                  2.28874900    0.35734400    2.61489100
 C                  4.54282500   -1.39678300    2.71590500
 C                  3.35787300   -1.77683700    1.96159300
 C                  2.25798800   -0.91116900    1.90510200
 C                  1.52137900   -0.72231400    0.68270400
 C                  0.84862900    0.63916100    0.68481000
 C                  0.87390200    1.42844400   -0.70313300
 C                  1.62744800    2.74743000   -0.69377100
 C                  2.38371400    2.89060700   -1.90802500
 C                  3.53411100    3.68510600   -1.95283600
 C                  7.27328800    3.20883400    0.50813600
 C                  5.81308800    1.12994600   -3.33825700
 C                  6.94931200    1.49162400   -2.61170100
 C                  7.63879300    0.50350200   -1.80049800
 C                  7.16435500   -0.80880500   -1.74575900
 C                  5.98205000   -1.18419800   -2.49662100
 C                  3.86548200   -0.18562500   -3.28516600
 C                  3.46472300    1.19966100   -3.34792700
 C                  4.66557000    2.02042100   -3.38116300
 C                  4.69947000    3.23558000   -2.69838600
 C                  5.88173100    3.61432100   -1.94364600
 C                  6.98504900    2.76001100   -1.90065100
 C                  8.10050500    1.15922000   -0.58853300
 C                  8.07545900    0.47721000    0.62861500
 C                  7.58752700   -0.89051800    0.68706800
 C                  7.13823500   -1.52059400   -0.47545900
 C                  5.93965600   -2.33617300   -0.44077900
 C                  5.21969000   -2.12341200   -1.68794500
 C                  3.82539100   -2.06301700   -1.68451000
 C                  3.12917800   -1.07715100   -2.49563400
 C                  2.34704000    1.62364100   -2.61935700
 C                  1.56562700    0.69589600   -1.84635100
 C                  1.96535200   -0.62247300   -1.76482000
 C                  1.94522300   -1.34490800   -0.47049400
 C                  3.09310800   -2.22488000   -0.43935900
 C                  3.78647600   -2.44902400    0.75662200
 C                  5.23702900   -2.49777000    0.75630200
 C                  5.70677800   -1.84447300    1.96890200
 C                  6.85701300   -1.05421500    1.93214300
 C                  7.69558800    2.55387100   -0.65074700
 C                  7.64413100    1.15935400    1.83735100
 C                  5.31744300   -0.23631700   -3.27846000
 N                 -0.27981300   -3.85932600   -1.05703400
 K                  2.03798100   -5.50846700   -1.48620400
 N                  1.95645600   -5.84236700    1.38676000
 C                  0.10145300   -7.49575900   -2.40995500
 K                 -0.07949900   -3.95953800    2.10637400
 C                  1.61544900   -6.96080100    1.54401000
 N                 -0.95548600   -7.80971300   -1.99024800
 C                 -2.32734600   -5.79305600    1.93660100
 K                 -0.72688600   -8.58878200    0.81426200
 K                 -2.75010300   -5.61798000   -1.44033000
 N                 -2.82585500   -6.61383300    1.25192500

15 61 F

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

K 0
LanL2DZ

solventname=c60
eps=4.08
epsinf=3.83




