%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                 -3.67772600    4.08672100    1.83090700
 C                 -2.95202500    4.31706600    0.58996000
 C                 -3.64533200    4.58614100   -0.60018900
 C                 -5.09389200    4.60202400   -0.59977700
 C                 -5.77117900    4.34608300    0.58817000
 C                 -5.06742900    4.11335300    1.83459700
 C                 -2.97888000    3.07311400    2.60140400
 C                 -1.81369500    2.67212100    1.84981600
 C                 -1.79686900    3.44910900    0.58196700
 C                 -1.37191300    2.88371800   -0.60347700
 C                 -3.22022800    3.97158600   -1.83534400
 C                 -5.56788300    4.00537800   -1.84038300
 C                 -6.70871700    3.19531500   -1.84348600
 C                 -7.41761800    2.94658300   -0.60773200
 C                 -6.89896300    3.45785000    0.56898600
 C                 -6.98178800    2.75459900    1.82146400
 C                 -5.82235200    3.12924100    2.60099800
 C                 -5.15935000    2.15976200    3.34716100
 C                 -3.70848300    2.13283500    3.35041200
 C                 -1.42403300    1.35072800    1.86443400
 C                 -2.18913900    0.37767700    2.59168500
 C                 -3.30565000    0.74799800    3.34453700
 C                 -4.49952600   -0.09323100    3.35864500
 C                 -5.64791400    0.78259700    3.34053700
 C                 -6.79425100    0.43888300    2.60681400
 C                 -7.47310800    1.45173800    1.82746100
 C                 -7.93920300    0.85654900    0.58323200
 C                 -7.91915800    1.58895300   -0.60741100
 C                 -4.40506400    3.61036100   -2.60673500
 C                 -5.92757100   -0.75259500   -2.61339200
 C                 -5.20903900    0.19857300   -3.35057900
 C                 -3.75695000    0.18620900   -3.34041300
 C                 -3.08268900   -0.76162500   -2.56901600
 C                 -3.83412500   -1.73771700   -1.80003200
 C                 -5.95839500   -1.99996400   -0.60765100
 C                 -7.11521200   -1.12768600   -0.61022400
 C                 -7.09679300   -0.35896200   -1.85165000
 C                 -7.49806600    0.97667000   -1.85266200
 C                 -6.75144300    1.96900300   -2.61723900
 C                 -5.62828900    1.58949300   -3.35305500
 C                 -3.27947400    1.55038500   -3.34111900
 C                 -2.14806200    1.88783000   -2.58637600
 C                 -1.43664200    0.88836700   -1.83757100
 C                 -1.91539600   -0.39136900   -1.81741800
 C                 -3.13778900   -1.98358900   -0.57239500
 C                 -3.81971200   -2.24738100    0.60506900
 C                 -5.26854700   -2.23699900    0.58937000
 C                 -7.53138200   -0.53333000    0.58437300
 C                 -6.81798000   -0.78853700    1.83086900
 C                 -5.70442700   -1.62799800    1.83196900
 C                 -4.51529600   -1.27128700    2.60105700
 C                 -3.34883400   -1.69722500    1.86018400
 C                 -2.22529600   -0.84421100    1.79653900
 C                 -1.44360600   -0.65243900    0.63063700
 C                 -0.72891600    0.68725900    0.69222400
 C                 -0.70263100    1.52050300   -0.66573700
 C                 -4.43566800    2.42737200   -3.34806000
 C                 -2.11420200    3.11859900   -1.81676600
 C                 -5.22907600   -1.76634700   -1.84076300
 C                 -1.85594600   -1.24416800   -0.59038100
 C                 -0.74068900   -2.68819200   -1.20157000
 C                  3.93800700    2.08712100    3.30080200
 C                  5.38914700    2.04030200    3.29779100
 C                  6.11553400    2.94097300    2.51614600
 C                  5.41837100    3.92672300    1.70503900
 C                  4.02429200    3.96043200    1.69737000
 C                  3.26503100    3.02318400    2.50667800
 C                  3.44666800    0.73116500    3.36396600
 C                  4.59090800   -0.16862500    3.40172700
 C                  5.79418500    0.64460300    3.36038300
 C                  6.90648500    0.20770200    2.63785500
 C                  7.27274900    2.48743100    1.76943700
 C                  6.15460700    4.09077800    0.46130800
 C                  5.46629000    4.29698200   -0.73581600
 C                  4.01530400    4.34749100   -0.73975400
 C                  3.30497000    4.17363600    0.45405000
 C                  2.09912900    3.37450900    0.48263500
 C                  2.07286200    2.64947800    1.77582300
 C                  1.58835000    1.35965600    1.85538100
 C                  2.30470300    0.38292300    2.63405000
 C                  4.54704200   -1.38672500    2.72393800
 C                  3.35544900   -1.75919000    1.97615100
 C                  2.26118700   -0.88574500    1.92509400
 C                  1.51917700   -0.69265900    0.70675400
 C                  0.85589700    0.67416900    0.71224200
 C                  0.88041500    1.46131000   -0.67658500
 C                  1.64139400    2.77584800   -0.67213600
 C                  2.39269100    2.91287700   -1.89050800
 C                  3.54817100    3.69946900   -1.94213000
 C                  7.29725500    3.19863300    0.49891000
 C                  5.80208700    1.12771500   -3.33831900
 C                  6.94460800    1.48190800   -2.61804500
 C                  7.63155100    0.48945500   -1.80993800
 C                  7.14826000   -0.81946800   -1.75179200
 C                  5.95931800   -1.18708100   -2.49596100
 C                  3.84587800   -0.17446600   -3.27396900
 C                  3.45449400    1.21357700   -3.33542800
 C                  4.66062400    2.02612700   -3.37562300
 C                  4.70641900    3.24147800   -2.69378400
 C                  5.89523400    3.61234900   -1.94554400
 C                  6.99287300    2.75041200   -1.90798400
 C                  8.10437700    1.14266300   -0.60091700
 C                  8.08119900    0.46156100    0.61673000
 C                  7.58409400   -0.90271200    0.67866700
 C                  7.12394100   -1.53027100   -0.48092300
 C                  5.92019900   -2.33776800   -0.43935000
 C                  5.19499000   -2.12061300   -1.68264400
 C                  3.80133200   -2.05085700   -1.67148700
 C                  3.10788600   -1.06064400   -2.47983700
 C                  2.34419800    1.64562300   -2.60053200
 C                  1.56207000    0.72354500   -1.82217300
 C                  1.95116900   -0.59781200   -1.74311200
 C                  1.93181700   -1.32008100   -0.44848000
 C                  3.07405800   -2.20782800   -0.42265000
 C                  3.77241900   -2.43595300    0.76959000
 C                  5.22276700   -2.49390500    0.76140600
 C                  5.70358300   -1.84282700    1.97081900
 C                  6.85909000   -1.06056900    1.92753100
 C                  7.70858300    2.53998200   -0.66177900
 C                  7.66113000    1.14741000    1.82730300
 C                  5.29732000   -0.23509800   -3.27499600
 N                 -0.42148500   -3.81481200   -1.08535000
 K                  1.84956500   -5.49207700   -1.65772900
 N                  1.87419300   -5.86455300    1.20830000
 C                 -0.08842700   -7.50204400   -2.54519100
 K                 -0.07461900   -3.94940100    2.06410900
 C                  1.59530500   -6.99228700    1.41398500
 N                 -1.07434600   -7.77900400   -1.95929200
 C                 -2.34546200   -5.76413000    2.09474200
 K                 -0.80731700   -8.57612500    0.81264200
 K                 -2.84670700   -5.58797800   -1.35946000
 N                 -2.81611000   -6.53485700    1.33599400

15 61 F

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

K 0
LanL2DZ

solventname=c60
eps=4.08
epsinf=3.83





