%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                 -3.81339300    4.11758500    1.83196700
 C                 -3.07876400    4.36855600    0.60352000
 C                 -3.77615300    4.60784500   -0.58613400
 C                 -5.22884500    4.58867400   -0.59572700
 C                 -5.93025000    4.34350200    0.58642700
 C                 -5.20794000    4.10986600    1.82679100
 C                 -3.08065000    3.13241000    2.60749600
 C                 -1.89179700    2.76833100    1.87224500
 C                 -1.88858900    3.54288100    0.60709000
 C                 -1.42474400    2.98718600   -0.56920300
 C                 -3.31306900    4.00073000   -1.81105100
 C                 -5.66269700    3.96813700   -1.83746600
 C                 -6.77908500    3.12738000   -1.84402100
 C                 -7.51146500    2.87985200   -0.61483400
 C                 -7.09217200    3.47460400    0.57758900
 C                 -7.09646300    2.71135800    1.81643300
 C                 -5.93359700    3.10387400    2.58864200
 C                 -5.23284400    2.15371800    3.33364300
 C                 -3.78229100    2.17117400    3.34988000
 C                 -1.45447500    1.45941600    1.88973400
 C                 -2.19382800    0.46393600    2.60650400
 C                 -3.32648900    0.80194500    3.35119800
 C                 -4.48800400   -0.07826100    3.36009100
 C                 -5.66625600    0.76154200    3.33202800
 C                 -6.79156100    0.38450900    2.59024200
 C                 -7.51036400    1.37677900    1.81282900
 C                 -7.93823200    0.75561900    0.56926400
 C                 -7.93880000    1.49030600   -0.61760600
 C                 -4.47647500    3.60107400   -2.58959900
 C                 -5.82827500   -0.80263400   -2.59301800
 C                 -5.14173700    0.16707400   -3.32703300
 C                 -3.68996500    0.19608000   -3.30213500
 C                 -2.97774000   -0.73631600   -2.53728400
 C                 -3.69662900   -1.74099000   -1.77296800
 C                 -5.83219300   -2.04246200   -0.59478000
 C                 -7.02023100   -1.20796800   -0.60788600
 C                 -7.01758100   -0.44131200   -1.84572700
 C                 -7.47122500    0.88016700   -1.85066100
 C                 -6.75632000    1.89162200   -2.60978200
 C                 -5.61471600    1.54166700   -3.33507900
 C                 -3.26822600    1.57542300   -3.30384300
 C                 -2.15919300    1.94765000   -2.53911800
 C                 -1.41592300    0.97089000   -1.78972800
 C                 -1.81172300   -0.34339500   -1.78754900
 C                 -2.97461400   -1.99732900   -0.55120600
 C                 -3.68790900   -2.23520000    0.62682500
 C                 -5.14174900   -2.25515100    0.60106500
 C                 -7.47279500   -0.62053800    0.57499300
 C                 -6.75904800   -0.84722800    1.82154000
 C                 -5.61725000   -1.65254600    1.83311500
 C                 -4.45039100   -1.25965700    2.61032600
 C                 -3.26174700   -1.65848400    1.88226400
 C                 -2.16840300   -0.76741900    1.81918700
 C                 -1.37819900   -0.56907300    0.66363500
 C                 -0.72774700    0.80989300    0.73013500
 C                 -0.71060200    1.64147300   -0.62376600
 C                 -4.45363200    2.41624300   -3.32530700
 C                 -2.17565500    3.18596300   -1.78176800
 C                 -5.09495700   -1.79166400   -1.81788200
 C                 -1.68398200   -1.23859500   -0.56963000
 C                 -0.38025500   -2.55489400   -1.08948800
 C                  3.99300900    2.08893500    3.31096300
 C                  5.44088600    1.98560400    3.29047600
 C                  6.18739100    2.85880800    2.49939900
 C                  5.51731200    3.87222000    1.69782300
 C                  4.12719500    3.96169000    1.70698700
 C                  3.34510400    3.05205200    2.52569300
 C                  3.45525700    0.75115300    3.37776800
 C                  4.56542600   -0.19213100    3.39999800
 C                  5.79642400    0.57499400    3.34436200
 C                  6.88371300    0.09613900    2.60830500
 C                  7.31074100    2.35747700    1.73422200
 C                  6.23788900    4.00383200    0.44260200
 C                  5.55085300    4.24592300   -0.74670300
 C                  4.10425300    4.35475200   -0.73300200
 C                  3.40293900    4.20440300    0.47062300
 C                  2.16859100    3.45140500    0.51215100
 C                  2.13185600    2.72656500    1.80744100
 C                  1.60379500    1.45507800    1.89169900
 C                  2.29375000    0.44907000    2.65956500
 C                  4.46986100   -1.40728800    2.71973300
 C                  3.25776700   -1.73325000    1.98627800
 C                  2.20156600   -0.81371100    1.94645200
 C                  1.46005200   -0.58713900    0.73691800
 C                  0.84654900    0.80109800    0.75130600
 C                  0.87421900    1.58654700   -0.63637700
 C                  1.67162400    2.87807000   -0.64067700
 C                  2.41794100    2.98689800   -1.86765600
 C                  3.60117400    3.72828000   -1.93238700
 C                  7.32656200    3.05373600    0.46098300
 C                  5.74594900    1.07319600   -3.36068800
 C                  6.90865600    1.38140100   -2.65304300
 C                  7.56831800    0.36122300   -1.85406400
 C                  7.03895200   -0.92912900   -1.79142300
 C                  5.82875000   -1.24918200   -2.52290300
 C                  3.74548900   -0.15333700   -3.27422200
 C                  3.40416400    1.24846600   -3.32866600
 C                  4.63809300    2.01475400   -3.38222500
 C                  4.73376600    3.22672600   -2.69831700
 C                  5.94262800    3.54908300   -1.96262800
 C                  7.00675800    2.64446500   -1.94038600
 C                  8.07461200    0.99168000   -0.64769300
 C                  8.04181100    0.31071700    0.57043100
 C                  7.49778300   -1.03396100    0.63670800
 C                  7.00272700   -1.64062600   -0.51995600
 C                  5.77101400   -2.40300200   -0.46539800
 C                  5.04151300   -2.15570600   -1.70058700
 C                  3.65286600   -2.02854400   -1.67046100
 C                  2.98815500   -1.01162200   -2.46954300
 C                  2.32030800    1.72248700   -2.57848000
 C                  1.52288300    0.82933700   -1.78779900
 C                  1.86650300   -0.50281200   -1.71520700
 C                  1.83425300   -1.22511100   -0.42391900
 C                  2.93891800   -2.15684300   -0.41291900
 C                  3.63635500   -2.42029000    0.77039600
 C                  5.08221800   -2.53479900    0.74478800
 C                  5.59968300   -1.90570400    1.95113200
 C                  6.78245000   -1.16745300    1.89527700
 C                  7.72188800    2.39904600   -0.70245800
 C                  7.65908200    1.00764100    1.78758600
 C                  5.19321500   -0.27043300   -3.29270600
 N                 -0.12838500   -3.70275600   -1.13945100
 K                  2.06143700   -5.52871300   -1.55427300
 N                  1.92144700   -5.88584000    1.30488900
 C                  0.12682400   -7.45229700   -2.61938400
 K                  0.00733800   -3.91240400    2.14250900
 C                  1.56135700   -6.99967400    1.45106200
 N                 -0.88545800   -7.68338900   -2.05900700
 C                 -2.30446500   -5.65739800    1.89416400
 K                 -0.83600700   -8.53440000    0.70458600
 K                 -2.58808700   -5.41535600   -1.54769400
 N                 -2.77063900   -6.41994100    1.12461200

61 90 F

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

K 0
LanL2DZ

solventname=c60
eps=4.08
epsinf=3.83


