%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                 -3.89647300    4.14497300    1.82016400
 C                 -3.15723300    4.40389800    0.59603400
 C                 -3.85069700    4.61394400   -0.60136300
 C                 -5.30227400    4.55639000   -0.62315100
 C                 -6.00755400    4.30364800    0.55488500
 C                 -5.29022900    4.10062400    1.80332200
 C                 -3.14517100    3.18709600    2.61163600
 C                 -1.93999900    2.84845000    1.89060700
 C                 -1.94475400    3.61058900    0.61752800
 C                 -1.45260600    3.05890500   -0.55018900
 C                 -3.36101600    4.00862900   -1.81670700
 C                 -5.70889500    3.91324100   -1.86253200
 C                 -6.80312500    3.04378200   -1.87105300
 C                 -7.53912500    2.78804100   -0.64574100
 C                 -7.14638800    3.40488700    0.54430000
 C                 -7.14117800    2.65303100    1.79011100
 C                 -5.99617700    3.08338100    2.56861300
 C                 -5.27753300    2.15892700    3.32860600
 C                 -3.82818000    2.21490500    3.35732200
 C                 -1.46879800    1.55155200    1.92493600
 C                 -2.18973100    0.54312800    2.64372800
 C                 -3.33699400    0.85804300    3.37594700
 C                 -4.47475700   -0.05234000    3.38155200
 C                 -5.67451700    0.75612600    3.33639300
 C                 -6.78219800    0.34249500    2.58809000
 C                 -7.52030600    1.30823600    1.79555200
 C                 -7.92080300    0.66435200    0.55439100
 C                 -7.93033500    1.38783000   -0.63921500
 C                 -4.50706900    3.57089900   -2.60125800
 C                 -5.74317600   -0.86683500   -2.57497600
 C                 -5.07627400    0.11397300   -3.31215100
 C                 -3.62614600    0.18152500   -3.27535300
 C                 -2.89694700   -0.72523500   -2.49544900
 C                 -3.59431000   -1.74211100   -1.72828200
 C                 -5.73206200   -2.08850600   -0.56515100
 C                 -6.94112600   -1.28518700   -0.59624200
 C                 -6.94803200   -0.53020800   -1.84125100
 C                 -7.43633000    0.77890900   -1.86245500
 C                 -6.74150400    1.80186900   -2.62476400
 C                 -5.58531800    1.47564900   -3.33754700
 C                 -3.24135800    1.57139700   -3.28652500
 C                 -2.15041800    1.98020900   -2.51445200
 C                 -1.39359100    1.03021600   -1.74771700
 C                 -1.75087700   -0.29443100   -1.73793900
 C                 -2.87440100   -1.96956400   -0.49770400
 C                 -3.59372300   -2.21458100    0.67552500
 C                 -5.04626400   -2.27207400    0.63801300
 C                 -7.41933600   -0.69886700    0.57695900
 C                 -6.71085300   -0.89531300    1.83137600
 C                 -5.54891800   -1.67065100    1.86042600
 C                 -4.40067200   -1.24029000    2.64488500
 C                 -3.19592200   -1.61323200    1.92942300
 C                 -2.12642600   -0.69482600    1.86977800
 C                 -1.33415000   -0.48629500    0.71724600
 C                 -0.72192600    0.91079500    0.77604800
 C                 -0.71016500    1.72735900   -0.58589300
 C                 -4.44784200    2.38065100   -3.32603800
 C                 -2.20225300    3.22550400   -1.77007400
 C                 -4.99049400   -1.82904500   -1.78404300
 C                 -1.60511900   -1.17674600   -0.51180500
 C                 -0.23790900   -2.42633400   -1.03321400
 C                  4.03863200    2.12530000    3.31489500
 C                  5.48300600    1.98361600    3.28206100
 C                  6.24086900    2.82890000    2.47359000
 C                  5.58854900    3.85190200    1.66846900
 C                  4.20273800    3.98015600    1.69048000
 C                  3.40712200    3.09849100    2.52675600
 C                  3.46997300    0.80159400    3.39933900
 C                  4.55613100   -0.16977500    3.42070600
 C                  5.80473600    0.56441400    3.34498000
 C                  6.87310900    0.04956800    2.60373400
 C                  7.33798900    2.28720600    1.69971000
 C                  6.29453100    3.94722800    0.40293500
 C                  5.60827000    4.20215900   -0.78264100
 C                  4.16635900    4.35174200   -0.75585100
 C                  3.47400700    4.23023600    0.45737100
 C                  2.22139100    3.51013600    0.51834500
 C                  2.17963400    2.79850200    1.82250100
 C                  1.62310100    1.54078800    1.92446000
 C                  2.29487700    0.52306100    2.69441800
 C                  4.42384900   -1.38880600    2.75194600
 C                  3.19772500   -1.69109000    2.03476600
 C                  2.16595500   -0.74356800    1.99413200
 C                  1.41960900   -0.50882100    0.79138200
 C                  0.84569200    0.89739300    0.79533800
 C                  0.87588000    1.66758300   -0.59952400
 C                  1.69811400    2.94163700   -0.62589400
 C                  2.43709000    3.01815700   -1.86149500
 C                  3.63752000    3.72786600   -1.94567100
 C                  7.34293700    2.95813400    0.41706400
 C                  5.70339300    1.00193800   -3.36932200
 C                  6.88018600    1.28587200   -2.67583000
 C                  7.52220100    0.25579500   -1.87284000
 C                  6.96265400   -1.02038500   -1.79199000
 C                  5.73738600   -1.31529400   -2.50906500
 C                  3.67511800   -0.17078700   -3.25018400
 C                  3.36782400    1.23866000   -3.31548900
 C                  4.61939800    1.97207600   -3.38870800
 C                  4.75025500    3.18848200   -2.71749700
 C                  5.97260000    3.48476700   -1.99568400
 C                  7.01279200    2.55170600   -1.97548700
 C                  8.05234200    0.88300500   -0.67590900
 C                  8.01530800    0.21574600    0.55018700
 C                  7.44060900   -1.11395200    0.63517100
 C                  6.92103200   -1.71845800   -0.51217600
 C                  5.67130300   -2.44849900   -0.43824000
 C                  4.93733100   -2.19409100   -1.66890600
 C                  3.55349800   -2.02568600   -1.62329700
 C                  2.90771700   -0.99983300   -2.42571500
 C                  2.30497400    1.74860400   -2.55787200
 C                  1.49952800    0.88451500   -1.74671600
 C                  1.81324000   -0.45234000   -1.66312200
 C                  1.76437500   -1.16822600   -0.36902000
 C                  2.85230400   -2.12133700   -0.35859700
 C                  3.55034600   -2.39521400    0.81894900
 C                  4.99080500   -2.54949000    0.78060200
 C                  5.53401100   -1.92374900    1.97711300
 C                  6.73436700   -1.21734500    1.90296900
 C                  7.72796200    2.29537900   -0.74145000
 C                  7.65998800    0.93232400    1.76469400
 C                  5.11882000   -0.32685300   -3.28201100
 N                 -0.06604400   -3.57016500   -1.25392300
 K                  2.09586400   -5.43269300   -1.63429700
 N                  1.87245000   -5.84368900    1.22569500
 C                  0.17729400   -7.34875600   -2.74042200
 K                 -0.02467700   -3.90128100    2.14039300
 C                  1.54608500   -6.97103900    1.34480100
 N                 -0.84895600   -7.57822100   -2.20534600
 C                 -2.31553700   -5.64627100    1.79652700
 K                 -0.84088300   -8.48586100    0.53973900
 K                 -2.51828900   -5.29782800   -1.65669900
 N                 -2.77349600   -6.36409200    0.98051200

61 90 F

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

K 0
LanL2DZ

solventname=c60
eps=4.08
epsinf=3.83


