%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                 -3.25467400    0.40269200   -3.32392600
 C                 -3.16142700    1.45585000   -2.31767500
 C                 -2.32917300    2.56703200   -2.51831100
 C                 -1.52863000    2.65024100   -3.72210900
 C                 -1.60042000    1.61932700   -4.65007600
 C                 -2.48960500    0.48826400   -4.47984000
 C                 -3.37328100   -0.87888600   -2.64805100
 C                 -3.35723900   -0.61150600   -1.22029900
 C                 -3.23976600    0.82610200   -1.01673500
 C                 -2.45314200    1.32013600    0.03466300
 C                 -1.51403900    3.08066200   -1.43095500
 C                 -0.23283700    3.23087600   -3.39472100
 C                  0.93046200    2.77624900   -4.02550500
 C                  0.84671400    1.71116000   -4.99910000
 C                 -0.38006600    1.11288800   -5.20428800
 C                 -0.52438400   -0.28065200   -5.51092600
 C                 -1.82180500   -0.69161500   -5.01511100
 C                 -1.94024300   -1.92060300   -4.37838900
 C                 -2.73115600   -2.01307100   -3.16242900
 C                 -2.69779500   -1.50124700   -0.37211900
 C                 -2.03230700   -2.67675800   -0.90474000
 C                 -2.04399500   -2.93564500   -2.27482900
 C                 -0.84095700   -3.41282300   -2.93863600
 C                 -0.76701300   -2.77765100   -4.23714500
 C                  0.47209000   -2.38524400   -4.76281200
 C                  0.59304100   -1.10108200   -5.42203400
 C                  1.88603400   -0.51693100   -5.09345400
 C                  2.01232900    0.86171500   -4.89367100
 C                 -0.22172900    3.49444300   -1.97283900
 C                  3.48862200    0.76772800   -1.53594000
 C                  2.85251300    1.90512400   -1.02410700
 C                  2.05599900    1.81279400    0.19033700
 C                  1.91735100    0.57007100    0.80680500
 C                  2.58631200   -0.61241000    0.28631000
 C                  3.27943000   -1.56535300   -1.85913900
 C                  3.34792800   -0.93582200   -3.16336700
 C                  3.47859700    0.50363000   -2.96324100
 C                  2.82608000    1.39146700   -3.81769300
 C                  2.15807700    2.57496100   -3.28233300
 C                  2.16956300    2.82946000   -1.91212100
 C                  0.89025100    2.66811900    0.05622400
 C                 -0.35176500    2.26125200    0.56630700
 C                 -0.47335600    0.98150500    1.22418800
 C                  0.63551600    0.16996400    1.30635900
 C                  1.72830900   -1.75064000    0.49267200
 C                  1.63985300   -2.75710900   -0.44946600
 C                  2.43297100   -2.66454100   -1.65809900
 C                  2.56531600   -1.43702800   -4.20712800
 C                  1.69104700   -2.58780600   -3.99878200
 C                  1.62433900   -3.18653000   -2.74288700
 C                  0.33526100   -3.60497200   -2.19656800
 C                  0.34855700   -3.36672600   -0.77577700
 C                 -0.80292400   -2.86935400   -0.15174400
 C                 -0.73269100   -1.84243000    0.84803800
 C                 -1.86948500   -0.97679600    0.70247800
 C                 -1.78731400    0.40688400    0.93168000
 C                  0.95772200    3.29891900   -1.24654500
 C                 -1.57658100    2.47163200   -0.18019200
 C                  3.37098000   -0.51819800   -0.86018500
 C                  0.52735000   -1.30096800    1.22125600
 C                  0.81588600   -1.55715400    3.13520700
 N                  0.43163600   -1.25079600    4.20601000
 K                  1.01490800   -1.97077700    6.94635500
 K                  1.83484100    1.67819400    4.41215300
 N                  2.03562800    0.73633600    7.10801300
 C                 -1.82245400   -1.64414400    7.55170600
 C                 -0.83387800    2.78806800    4.51495700
 C                  1.26873300    1.28968200    7.81345800
 N                 -2.52113200   -0.74793300    7.23473300
 N                 -1.83415600    2.39190500    4.99813800
 K                 -1.60648600    1.93275900    7.84896000
 K                 -2.44332900   -0.34171000    4.38004600

15 61 F

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

K 0
LanL2DZ

solventname=c60
eps=4.08
epsinf=3.83



