%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                 -3.43454500    4.46033700   -0.41954300
 C                 -2.75664900    3.81743100   -1.53506000
 C                 -3.48626800    3.36136900   -2.64121700
 C                 -4.93035200    3.50805300   -2.66002200
 C                 -5.58186400    4.11575900   -1.58377800
 C                 -4.82060000    4.60644000   -0.44464500
 C                 -2.76490100    4.07439000    0.80998000
 C                 -1.67977800    3.18411300    0.46410000
 C                 -1.67537500    3.02752000   -1.00850400
 C                 -1.35872800    1.81626000   -1.58406300
 C                 -3.15732600    2.08697000   -3.23152300
 C                 -5.49313400    2.31621500   -3.27725900
 C                 -6.68634600    1.77940900   -2.78773100
 C                 -7.36658900    2.41631500   -1.67255100
 C                 -6.82375300    3.56040100   -1.07904300
 C                 -6.83832300    3.71758000    0.36624500
 C                 -5.59692100    4.36104800    0.76090200
 C                 -4.95602000    3.98867900    1.94463300
 C                 -3.51426300    3.84732300    1.97460500
 C                 -1.39631600    2.10496900    1.27542900
 C                 -2.15887900    1.86770100    2.46948500
 C                 -3.19880000    2.72001400    2.82726400
 C                 -4.43974200    2.16305500    3.34859300
 C                 -5.52433900    2.94179200    2.79015000
 C                 -6.72003400    2.32555200    2.41220800
 C                 -7.37897000    2.71456700    1.17338900
 C                 -7.92264600    1.51996900    0.55589300
 C                 -7.92496100    1.37342100   -0.83394300
 C                 -4.39495400    1.43285900   -3.62405800
 C                 -6.16866700   -1.87975700   -0.96869100
 C                 -5.43680700   -1.64344200   -2.13210100
 C                 -3.99163800   -1.77652200   -2.10231400
 C                 -3.33589800   -2.13282100   -0.91488400
 C                 -4.10756000   -2.38368300    0.29501300
 C                 -6.16098700   -1.62972000    1.36744000
 C                 -7.19774800   -0.80430700    0.82085800
 C                 -7.24762900   -0.98438800   -0.61446600
 C                 -7.58721700    0.09319500   -1.43132300
 C                 -6.82791400    0.34072100   -2.64239700
 C                 -5.76845900   -0.50935900   -2.97946000
 C                 -3.43197600   -0.73974000   -2.93340500
 C                 -2.24365600   -0.11756000   -2.53860200
 C                 -1.54159900   -0.53071000   -1.34553800
 C                 -2.08262100   -1.52939800   -0.55747400
 C                 -3.37185000   -1.95142600    1.44248200
 C                 -4.01148200   -1.30885100    2.50513600
 C                 -5.44696200   -1.15513100    2.46917500
 C                 -7.57729000    0.39607600    1.40306200
 C                 -6.84123100    0.88743500    2.55050300
 C                 -5.79400500    0.12272200    3.07166900
 C                 -4.55904900    0.76835200    3.47876200
 C                 -3.46056100   -0.12749900    3.17061400
 C                 -2.31329500    0.42183500    2.59158900
 C                 -1.63629200   -0.18588500    1.50206600
 C                 -1.01591700    0.78751700    0.71749600
 C                 -0.75081800    0.65784400   -0.79250200
 C                 -4.52673900    0.05003300   -3.48167100
 C                 -2.11360200    1.32521000   -2.68825900
 C                 -5.50124400   -2.27885000    0.26090100
 C                 -1.93959000   -1.56677500    0.99167100
 C                  3.59241400    2.98766000    2.77252100
 C                  5.02820100    3.11922200    2.75836700
 C                  5.64947200    3.80405000    1.71111000
 C                  4.88444000    4.38401200    0.62149200
 C                  3.50345900    4.24124100    0.61238900
 C                  2.84368100    3.52308700    1.70027700
 C                  3.28846800    1.66188600    3.27295700
 C                  4.53376100    0.97580700    3.59129700
 C                  5.61689700    1.88475600    3.27219000
 C                  6.79477200    1.38028400    2.71943500
 C                  6.82747400    3.23697900    1.13002000
 C                  5.64098500    4.21718800   -0.61599300
 C                  4.98991400    3.93284600   -1.81717000
 C                  3.54678900    3.78580100   -1.82791400
 C                  2.82529400    3.92663600   -0.63309500
 C                  1.75180400    3.01376600   -0.32598700
 C                  1.75782400    2.78728700    1.13097100
 C                  1.52004700    1.49560100    1.58518600
 C                  2.25334900    0.93159500    2.69439400
 C                  4.67368200   -0.39504300    3.34387200
 C                  3.57266700   -1.15026900    2.76194900
 C                  2.38833000   -0.48678600    2.44075000
 C                  1.70220100   -0.76929200    1.19082100
 C                  1.07987500    0.44095400    0.72116300
 C                  0.82369800    0.66498100   -0.77340200
 C                  1.42099900    2.00896900   -1.21559300
 C                  2.17890400    1.83740600   -2.41785300
 C                  3.21722800    2.71834000   -2.74140900
 C                  6.86578400    3.52441400   -0.28975700
 C                  5.83675000    0.15314000   -3.22767100
 C                  6.89564500    0.87228600   -2.67056400
 C                  7.66949400    0.29862300   -1.58179300
 C                  7.35850200   -0.97390600   -1.09394400
 C                  6.25534100   -1.71613400   -1.66973200
 C                  4.06653700   -1.31020800   -2.73024400
 C                  3.49979000   -0.08369700   -3.24028800
 C                  4.59264800    0.82965600   -3.55111100
 C                  4.45411100    2.19538400   -3.30668100
 C                  5.55372700    2.94879900   -2.73169500
 C                  6.74902700    2.29719300   -2.41746700
 C                  8.00278100    1.36679900   -0.65784400
 C                  8.00372300    1.12049900    0.71693700
 C                  7.69746700   -0.20233900    1.22893600
 C                  7.37044000   -1.22857400    0.34105700
 C                  6.28353000   -2.13778100    0.65159100
 C                  5.58605500   -2.43040100   -0.59049500
 C                  4.19824300   -2.55647900   -0.60087600
 C                  3.42355900   -1.98597500   -1.68545900
 C                  2.31493300    0.41066100   -2.67955800
 C                  1.61850500   -0.31245000   -1.64822100
 C                  2.18805600   -1.46740500   -1.13318200
 C                  2.20000100   -1.74001200    0.32006200
 C                  3.43984200   -2.39727500    0.63417500
 C                  4.11769000   -2.13120100    1.84317900
 C                  5.55853200   -1.98264600    1.83919400
 C                  5.90388400   -0.91437900    2.76999800
 C                  6.94924300   -0.04278100    2.46770200
 C                  7.42517700    2.59668200   -1.16975000
 C                  7.43505600    2.09100600    1.63270400
 C                  5.51173100   -1.17129800   -2.72021600
 C                 -0.97530900   -2.59474100    1.43760300
 N                 -0.26657500   -3.43287200    1.81759900
 K                  1.93095100   -5.28168200    2.08628800
 N                 -0.27960500   -7.04900000    2.86831200
 K                 -2.74736900   -5.68286400    2.25900600
 C                 -0.27004300   -7.94393100    2.09931100
 C                 -2.48787000   -5.77651800   -0.63085500
 K                 -0.02297300   -8.07948500   -0.82711700
 K                 -0.07291700   -3.79387500   -2.45724800
 N                 -1.84940900   -5.83050600   -1.62028100
 C                  2.01039100   -5.54381600   -1.49219700
 N                  2.25319900   -6.23294000   -0.56686100

36 71 F

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

K 0
LanL2DZ

solventname=c60
eps=4.08
epsinf=3.83


