%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                 -3.68150200    4.07892200    1.84722200
 C                 -2.95530200    4.31328400    0.61058000
 C                 -3.65881300    4.59131800   -0.56703400
 C                 -5.11089900    4.62863800   -0.55604700
 C                 -5.80474000    4.39916800    0.63379800
 C                 -5.07513200    4.12510600    1.86162500
 C                 -2.97719100    3.05755900    2.60234300
 C                 -1.81500000    2.65443100    1.84601600
 C                 -1.79989400    3.44094800    0.58919800
 C                 -1.37926400    2.87618700   -0.59794800
 C                 -3.23691500    3.97873800   -1.80405400
 C                 -5.58563900    4.03827700   -1.79767500
 C                 -6.73352700    3.24128400   -1.79619200
 C                 -7.45807500    3.01007700   -0.55915500
 C                 -6.99938400    3.57558300    0.63309000
 C                 -7.01666200    2.80088600    1.86456100
 C                 -5.82854200    3.13987900    2.62380600
 C                 -5.15505900    2.15574100    3.34956200
 C                 -3.70483200    2.11630300    3.34490300
 C                 -1.43044500    1.32939700    1.84236300
 C                 -2.19396600    0.35605800    2.56162800
 C                 -3.30265900    0.73064700    3.32550600
 C                 -4.49711900   -0.10355500    3.34444100
 C                 -5.64214600    0.78127900    3.34069100
 C                 -6.79158700    0.45596100    2.61143000
 C                 -7.48197000    1.48319400    1.85389300
 C                 -7.95058300    0.89207600    0.61041800
 C                 -7.93894000    1.63840600   -0.56929700
 C                 -4.42511300    3.63315300   -2.57009900
 C                 -5.94704100   -0.71441100   -2.59703700
 C                 -5.23285200    0.23528300   -3.33093100
 C                 -3.78074300    0.20743000   -3.32699100
 C                 -3.09422000   -0.75882100   -2.58153000
 C                 -3.84244100   -1.74134900   -1.81643700
 C                 -5.97134800   -1.97289700   -0.61123700
 C                 -7.12608000   -1.09328200   -0.59894800
 C                 -7.11077800   -0.31474200   -1.82915500
 C                 -7.51227700    1.02304400   -1.81471900
 C                 -6.76922200    2.01368600   -2.57427500
 C                 -5.65167700    1.62698200   -3.31843000
 C                 -3.30490400    1.56924400   -3.32121500
 C                 -2.17049700    1.88948200   -2.57026500
 C                 -1.44929100    0.87673600   -1.84359600
 C                 -1.90077200   -0.41985500   -1.84656900
 C                 -3.11736400   -2.03438100   -0.60686100
 C                 -3.82001500   -2.25946400    0.57814700
 C                 -5.27346300   -2.22440800    0.57305200
 C                 -7.53859700   -0.50099200    0.59603200
 C                 -6.81709400   -0.76800100    1.83022400
 C                 -5.70692400   -1.61654000    1.81751200
 C                 -4.51417800   -1.27679400    2.58118100
 C                 -3.35153500   -1.71433400    1.83344400
 C                 -2.22399200   -0.86664300    1.76121000
 C                 -1.43433000   -0.68920000    0.59866500
 C                 -0.73328200    0.66538300    0.67059800
 C                 -0.70913200    1.50872700   -0.67685400
 C                 -4.45723300    2.45545100   -3.31688700
 C                 -2.13283500    3.11858500   -1.79888500
 C                 -5.24249900   -1.73877500   -1.84221100
 C                 -1.79627500   -1.32838100   -0.63756900
 C                 -0.58613500   -2.72172400   -1.18232400
 C                  3.91956200    2.08799200    3.29405500
 C                  5.37070700    2.04388700    3.29487300
 C                  6.09662700    2.94446900    2.51315600
 C                  5.39945000    3.92756000    1.69862000
 C                  4.00566800    3.95900500    1.68735500
 C                  3.24657200    3.02130600    2.49634700
 C                  3.43139300    0.73101200    3.35823500
 C                  4.57749200   -0.16649900    3.40047400
 C                  5.77895800    0.64906700    3.36062700
 C                  6.89414700    0.21294300    2.64171300
 C                  7.25535500    2.49089300    1.76942200
 C                  6.13742600    4.08978000    0.45589800
 C                  5.45316400    4.29401000   -0.74352000
 C                  4.00238700    4.34232100   -0.75127600
 C                  3.28965500    4.16878000    0.44140600
 C                  2.08571500    3.36734000    0.46825900
 C                  2.05745700    2.64400400    1.76259000
 C                  1.57583400    1.35325700    1.84298600
 C                  2.29227200    0.37936600    2.62561700
 C                  4.53834300   -1.38607100    2.72457300
 C                  3.34971600   -1.76218100    1.97449400
 C                  2.25449000   -0.89038500    1.91865500
 C                  1.51689800   -0.69990800    0.69768300
 C                  0.84994100    0.66386800    0.69816100
 C                  0.87432000    1.45089100   -0.69078200
 C                  1.63277000    2.76618300   -0.68708600
 C                  2.38624500    2.90279700   -1.90414300
 C                  3.54017800    3.69157900   -1.95403000
 C                  7.27811800    3.19699800    0.49710500
 C                  5.80340000    1.12146200   -3.34012400
 C                  6.94332600    1.47890600   -2.61755200
 C                  7.63040200    0.48906600   -1.80590200
 C                  7.15005500   -0.82079800   -1.74668300
 C                  5.96386800   -1.19177100   -2.49345700
 C                  3.85011500   -0.18415600   -3.27839400
 C                  3.45556200    1.20291900   -3.34340400
 C                  4.66009800    2.01765600   -3.38174100
 C                  4.70137700    3.23434000   -2.70186000
 C                  5.88720200    3.60844800   -1.95098900
 C                  6.98624100    2.74840300   -1.90927400
 C                  8.09784700    1.14484200   -0.59639400
 C                  8.07326500    0.46599900    0.62255800
 C                  7.57946600   -0.89919700    0.68563500
 C                  7.12401800   -1.52955200   -0.47443200
 C                  5.92193600   -2.33947000   -0.43454100
 C                  5.19974600   -2.12571500   -1.68036600
 C                  3.80598700   -2.05748100   -1.67238100
 C                  3.11239300   -1.06996300   -2.48413400
 C                  2.34212200    1.63421200   -2.61240500
 C                  1.55962400    0.71224100   -1.83424300
 C                  1.95397200   -0.60722400   -1.75062500
 C                  1.93443200   -1.32669000   -0.45509300
 C                  3.07681400   -2.21313500   -0.42499800
 C                  3.77146300   -2.43957600    0.76945700
 C                  5.22181100   -2.49504300    0.76504600
 C                  5.69788500   -1.84115900    1.97494600
 C                  6.85176300   -1.05657100    1.93323500
 C                  7.69797900    2.54050500   -0.66079900
 C                  7.64816400    1.15261800    1.83098600
 C                  5.30163800   -0.24227500   -3.27568100
 N                 -0.23723200   -3.84171000   -1.11391100
 K                  2.00593100   -5.57537800   -1.59104500
 N                  1.91285100   -5.89983800    1.28155500
 C                  0.06369400   -7.54866500   -2.52645600
 K                 -0.05843600   -3.97219500    2.08467100
 C                  1.59495700   -7.02113300    1.46466800
 N                 -0.96332900   -7.82277500   -2.01458700
 C                 -2.33214300   -5.77279700    1.96278300
 K                 -0.78080600   -8.61668100    0.77096700
 K                 -2.71502300   -5.59829600   -1.47571500
 N                 -2.78645000   -6.56409200    1.21550700

61 90 F

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

K 0
LanL2DZ

solventname=c60
eps=4.08
epsinf=3.83


