%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                 -3.21641100    0.39892200   -3.36775100
 C                 -3.06862400    1.45875600   -2.38864900
 C                 -2.28101000    2.58145600   -2.62078300
 C                 -1.51910400    2.65152800   -3.85121600
 C                 -1.61783800    1.61604000   -4.78928800
 C                 -2.48855800    0.47112900   -4.54810000
 C                 -3.33558700   -0.86234200   -2.64848800
 C                 -3.25678200   -0.57014100   -1.23141100
 C                 -3.02066300    0.83561200   -1.10316300
 C                 -2.35433800    1.38193600   -0.02156500
 C                 -1.47323500    3.11606600   -1.53724900
 C                 -0.22862100    3.24008500   -3.52785400
 C                  0.91772000    2.76933200   -4.16409000
 C                  0.81685400    1.69290900   -5.14313900
 C                 -0.42357300    1.12370300   -5.44735300
 C                 -0.56077200   -0.31916000   -5.61364200
 C                 -1.83647100   -0.72742900   -5.05231200
 C                 -1.95033700   -1.94033800   -4.36042800
 C                 -2.72129700   -2.01199000   -3.13033500
 C                 -2.64237300   -1.43304000   -0.33275100
 C                 -2.00642700   -2.62756000   -0.83150800
 C                 -2.03777800   -2.90854800   -2.20486800
 C                 -0.85145900   -3.40555000   -2.86598600
 C                 -0.79195200   -2.80298700   -4.19139500
 C                  0.43037000   -2.41480000   -4.73853000
 C                  0.54757100   -1.14848000   -5.45685600
 C                  1.82851800   -0.55327700   -5.12682200
 C                  1.96815400    0.83011800   -4.97554600
 C                 -0.19983600    3.52412700   -2.09889300
 C                  3.45897900    0.80943100   -1.57466200
 C                  2.84685700    1.95847700   -1.09376500
 C                  2.07306300    1.88734000    0.13875600
 C                  1.94103200    0.66503500    0.81858900
 C                  2.59282800   -0.53548300    0.31810300
 C                  3.19213800   -1.51016700   -1.82611200
 C                  3.13879600   -0.88753400   -3.11432100
 C                  3.38430800    0.51925200   -2.99069700
 C                  2.77446800    1.37962100   -3.89618100
 C                  2.13567200    2.57931300   -3.39464200
 C                  2.16537000    2.85361800   -2.02027600
 C                  0.91801400    2.74454000   -0.02704500
 C                 -0.30648100    2.34668400    0.50977800
 C                 -0.42597400    1.08419500    1.23229800
 C                  0.68103200    0.26586200    1.39764900
 C                  1.74712400   -1.68198100    0.57977200
 C                  1.63376000   -2.70019300   -0.36333200
 C                  2.38973000   -2.62190000   -1.59537100
 C                  2.47210200   -1.44149000   -4.18658200
 C                  1.63334600   -2.59737800   -3.95160200
 C                  1.58835300   -3.16775700   -2.67579100
 C                  0.31780300   -3.58417200   -2.10966600
 C                  0.34860100   -3.32362700   -0.68277500
 C                 -0.78582800   -2.80726300   -0.05518900
 C                 -0.69843500   -1.76195200    0.94242400
 C                 -1.81866100   -0.88676200    0.74426000
 C                 -1.72801000    0.50328100    0.93512200
 C                  0.97122700    3.34187000   -1.35703600
 C                 -1.51355800    2.53707500   -0.26398300
 C                  3.33910300   -0.45576700   -0.85369000
 C                  0.57338900   -1.23594100    1.38943800
 C                  0.85846000   -1.66621000    3.27245800
 N                  0.52991100   -1.48157300    4.38643900
 K                  1.00096000   -2.08281800    7.16266100
 K                  1.87074100    1.55252800    4.53628500
 N                  1.98489500    0.64283900    7.25091000
 C                 -1.86320600   -1.75252000    7.61315800
 C                 -0.83001300    2.57314000    4.59181100
 C                  1.19004800    1.19617000    7.92470300
 N                 -2.58634500   -0.89715000    7.24271000
 N                 -1.86902500    2.23497700    5.03546500
 K                 -1.69673400    1.79541100    7.89072200
 K                 -2.39697000   -0.52192300    4.39018600

9 36 F

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

K 0
LanL2DZ

solventname=c60
eps=4.08
epsinf=3.83



