%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                 -3.73180500    4.09298900    1.84295500
 C                 -3.00153200    4.33531400    0.61027500
 C                 -3.70198100    4.60130800   -0.57196300
 C                 -5.15456700    4.61846300   -0.56967600
 C                 -5.85217000    4.38151400    0.61645000
 C                 -5.12605300    4.11993300    1.84904000
 C                 -3.01770300    3.08319000    2.60434900
 C                 -1.84486000    2.69499700    1.85603800
 C                 -1.83344600    3.47959900    0.59752400
 C                 -1.39668600    2.91959800   -0.58628900
 C                 -3.26428100    3.99238200   -1.80529700
 C                 -5.61374300    4.01909000   -1.81278900
 C                 -6.75051800    3.20627900   -1.81652600
 C                 -7.47907100    2.96738300   -0.58332000
 C                 -7.03531700    3.54161700    0.61036600
 C                 -7.04899300    2.76899600    1.84319700
 C                 -5.87029900    3.12598500    2.60876500
 C                 -5.18754200    2.15275600    3.34050400
 C                 -3.73689100    2.13366500    3.34472700
 C                 -1.44032700    1.37561000    1.85866500
 C                 -2.19702100    0.39344100    2.57467600
 C                 -3.31530300    0.75368600    3.33102800
 C                 -4.49844100   -0.09722900    3.34368400
 C                 -5.65550200    0.77173200    3.33150900
 C                 -6.79597000    0.42898000    2.59615800
 C                 -7.49601800    1.44510800    1.83249700
 C                 -7.94913900    0.84502800    0.58759500
 C                 -7.94081400    1.58909900   -0.59348900
 C                 -4.44315400    3.62863000   -2.57756000
 C                 -5.90427000   -0.73968900   -2.60431600
 C                 -5.19922800    0.21832100   -3.33616400
 C                 -3.74696000    0.21066100   -3.32343100
 C                 -3.05160100   -0.74480500   -2.57203000
 C                 -3.79029500   -1.73639700   -1.80942400
 C                 -5.92299100   -1.99472800   -0.61613800
 C                 -7.08985500   -1.13107100   -0.61261900
 C                 -7.07802400   -0.35477500   -1.84428800
 C                 -7.49833600    0.97736000   -1.83507500
 C                 -6.76461600    1.97672300   -2.59222800
 C                 -5.63759800    1.60414400   -3.32921300
 C                 -3.29045500    1.57901900   -3.31768500
 C                 -2.16555400    1.91665700   -2.56011200
 C                 -1.43675100    0.91543600   -1.82625500
 C                 -1.86799500   -0.38811800   -1.83026000
 C                 -3.06743300   -2.01864000   -0.59524900
 C                 -3.77494300   -2.25036900    0.58643900
 C                 -5.22884800   -2.23450100    0.57264600
 C                 -7.51800900   -0.54228000    0.57859000
 C                 -6.80023200   -0.79678800    1.81749500
 C                 -5.67857000   -1.63016500    1.81323200
 C                 -4.49563800   -1.27265200    2.58362000
 C                 -3.32267200   -1.69573600    1.84344300
 C                 -2.20782800   -0.83097900    1.77642500
 C                 -1.41852400   -0.64356300    0.61691400
 C                 -0.73283200    0.71771100    0.68971300
 C                 -0.71051000    1.56039300   -0.65781900
 C                 -4.45489500    2.44924700   -3.32231200
 C                 -2.14812800    3.14818800   -1.79181400
 C                 -5.18994700   -1.75271100   -1.84326100
 C                 -1.75727200   -1.29358500   -0.61902100
 C                 -0.50974000   -2.66281100   -1.14006500
 C                  3.94921200    2.05870500    3.30395100
 C                  5.39948700    1.99210900    3.29514900
 C                  6.13293300    2.88903900    2.51701900
 C                  5.44542400    3.89068400    1.71636400
 C                  4.05269500    3.94425100    1.71416900
 C                  3.28519500    3.01021100    2.51937700
 C                  3.44200000    0.70828100    3.35781100
 C                  4.57470900   -0.20707600    3.38387500
 C                  5.78776600    0.59056800    3.34412400
 C                  6.89214200    0.14428000    2.61410200
 C                  7.27791600    2.42349700    1.76027800
 C                  6.17618000    4.05179200    0.46972600
 C                  5.48983700    4.28056300   -0.72353600
 C                  4.04027600    4.35183000   -0.72166500
 C                  3.33252800    4.17703700    0.47417600
 C                  2.11683900    3.39335400    0.50054100
 C                  2.08614300    2.65868200    1.78926500
 C                  1.58685000    1.37443000    1.86045900
 C                  2.29350400    0.38157900    2.62866300
 C                  4.51359200   -1.41920300    2.69565100
 C                  3.31528100   -1.76975800    1.94943100
 C                  2.23414700   -0.87968500    1.90846100
 C                  1.49417600   -0.66490700    0.69390400
 C                  0.84749700    0.70881200    0.71239600
 C                  0.87309700    1.50553200   -0.67022000
 C                  1.64588200    2.81248100   -0.65860900
 C                  2.39631300    2.94887400   -1.87864500
 C                  3.56158400    3.72024300   -1.92827900
 C                  7.29750900    3.13674100    0.49368300
 C                  5.77946000    1.12950400   -3.35426400
 C                  6.92873200    1.46223400   -2.63506400
 C                  7.60600400    0.45394600   -1.83723500
 C                  7.10690300   -0.84920300   -1.78766700
 C                  5.91087400   -1.19466300   -2.53100600
 C                  3.80767300   -0.14694400   -3.29303000
 C                  3.43344300    1.24648700   -3.34160500
 C                  4.64938700    2.04338100   -3.37977400
 C                  4.71169500    3.25254100   -2.68773500
 C                  5.90707000    3.60080400   -1.94035200
 C                  6.99312300    2.72344500   -1.91424700
 C                  8.08911800    1.08990500   -0.62366700
 C                  8.06218000    0.39981400    0.58912000
 C                  7.54914200   -0.95825900    0.64202600
 C                  7.07783500   -1.56984200   -0.52185400
 C                  5.86410600   -2.36196800   -0.48245500
 C                  5.13812000   -2.12511300   -1.72193600
 C                  3.74604300   -2.03480800   -1.70435600
 C                  3.06262500   -1.02932400   -2.50210400
 C                  2.33156200    1.68781500   -2.59868800
 C                  1.54421900    0.77000200   -1.82305300
 C                  1.91834600   -0.55535700   -1.75567500
 C                  1.89542400   -1.28562200   -0.46748300
 C                  3.02326800   -2.18995900   -0.45360100
 C                  3.72046600   -2.43994000    0.73424900
 C                  5.16913700   -2.51851900    0.72035900
 C                  5.66169200   -1.88441300    1.93422200
 C                  6.82677400   -1.11707700    1.89299800
 C                  7.70726100    2.49076200   -0.67216900
 C                  7.65389300    1.08023300    1.80702400
 C                  5.25815900   -0.22738800   -3.29990300
 N                 -0.19399200   -3.79344600   -1.07653300
 K                  2.06900400   -5.52979200   -1.47225600
 N                  1.91032900   -5.86602400    1.39054300
 C                  0.16170700   -7.51407300   -2.46444400
 K                 -0.08176800   -3.94478600    2.13353000
 C                  1.58032600   -6.98678100    1.55404500
 N                 -0.87227200   -7.78747200   -1.96643200
 C                 -2.34576200   -5.75483700    1.96377100
 K                 -0.77485400   -8.59315900    0.81499800
 K                 -2.64497400   -5.56693600   -1.47614500
 N                 -2.79357500   -6.54022200    1.20639900

61 90 F

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

K 0
LanL2DZ

solventname=c60
eps=4.08
epsinf=3.83


