%nprocshared=24
%mem=41GB
#p opt=(loose,modredundant,calcfc,ts,noeigentest,maxstep=8) freq b3lyp genecp scrf=(solvent=generic,read,pcm) nosymm empiricaldispersion=gd3 scf=(xqc,maxcyc=1024,conver=6) int(grid=fine)

Loose ts

0 1
 C                 -3.63622500    4.46878100    0.34529000
 C                 -2.85144700    4.06547700   -0.81027300
 C                 -3.48272900    3.79056500   -2.03011400
 C                 -4.92716600    3.88467500   -2.13323100
 C                 -5.68007400    4.26407700   -1.01903300
 C                 -5.02337700    4.56746400    0.24269300
 C                 -3.03080500    3.89490200    1.53460400
 C                 -1.87303800    3.13580900    1.12537300
 C                 -1.76381300    3.23565800   -0.34803800
 C                 -1.34425800    2.16036800   -1.10133400
 C                 -3.05235000    2.65483800   -2.80974400
 C                 -5.38661200    2.80230300   -2.99251200
 C                 -6.58029300    2.14041000   -2.69772800
 C                 -7.35955300    2.53805200   -1.54030400
 C                 -6.92138900    3.57734700   -0.71598800
 C                 -7.04284000    3.46760400    0.72781000
 C                 -5.86784700    4.07803100    1.32286300
 C                 -5.28999200    3.51986100    2.46442100
 C                 -3.84739500    3.43308700    2.57961600
 C                 -1.58778700    1.93731600    1.74950700
 C                 -2.42408800    1.45084800    2.81101400
 C                 -3.53369600    2.18145700    3.23220900
 C                 -4.77750200    1.49324800    3.54815400
 C                 -5.86209700    2.31502400    3.06001400
 C                 -6.99777200    1.73043300    2.48912000
 C                 -7.58728900    2.31332700    1.29754200
 C                 -8.03427600    1.22957700    0.44132300
 C                 -7.90574000    1.33876400   -0.94300700
 C                 -4.22601900    2.03695400   -3.40658100
 C                 -6.03086700   -1.76812600   -1.52565600
 C                 -5.22764100   -1.29485000   -2.56705400
 C                 -3.78325600   -1.37536000   -2.45311700
 C                 -3.19424300   -1.91483800   -1.30218200
 C                 -4.03156900   -2.40353800   -0.21938300
 C                 -6.21158600   -1.95232100    0.80783700
 C                 -7.30738100   -1.12290500    0.33984700
 C                 -7.19316100   -1.00936900   -1.10760600
 C                 -7.49488800    0.19965100   -1.73722700
 C                 -6.66596100    0.69392300   -2.82164000
 C                 -5.54990100   -0.04054400   -3.22713100
 C                 -3.21773000   -0.18516200   -3.04270300
 C                 -2.09620700    0.40320300   -2.44989900
 C                 -1.47397600   -0.18904300   -1.29531900
 C                 -2.00197300   -1.33366300   -0.74743900
 C                 -3.38255200   -2.15449800    1.03228100
 C                 -4.12932300   -1.73629700    2.12698600
 C                 -5.57240600   -1.64466300    2.01483800
 C                 -7.71765600   -0.02514000    1.09662000
 C                 -7.06672400    0.28597300    2.35988700
 C                 -6.01050800   -0.51079400    2.80718200
 C                 -4.83302900    0.09862800    3.40671300
 C                 -3.67080200   -0.67706200    3.02533900
 C                 -2.49869400    0.00133100    2.65816300
 C                 -1.65547000   -0.37981600    1.57216100
 C                 -1.03814900    0.77234100    1.02203700
 C                 -0.74554100    0.88178200   -0.49183500
 C                 -4.30525400    0.64734300   -3.52762200
 C                 -2.01315400    1.84900800   -2.32838000
 C                 -5.42843200   -2.35056800   -0.33808900
 C                 -1.93227300   -1.64416500    0.77045600
 C                  4.01396600    3.75579600    2.13601600
 C                  5.45731800    3.76407200    2.02014500
 C                  6.06985700    4.09216400    0.80515300
 C                  5.25260000    4.40672200   -0.35352800
 C                  3.86182600    4.37968800   -0.25204500
 C                  3.22034200    4.04368200    1.01324100
 C                  3.64224900    2.65240500    2.99795300
 C                  4.85642400    1.97774200    3.43282400
 C                  5.98073500    2.66823300    2.82539700
 C                  7.08270400    1.93941100    2.37967200
 C                  7.21308300    3.32985200    0.34292400
 C                  5.90412600    3.85613400   -1.53469700
 C                  5.14074000    3.31490700   -2.57188500
 C                  3.69341800    3.29826400   -2.46991500
 C                  3.06930900    3.81386600   -1.32609200
 C                  1.94415500    3.12639900   -0.73409800
 C                  2.02534100    3.28554600    0.73138100
 C                  1.67975400    2.21003200    1.55038000
 C                  2.50511800    1.89938700    2.70537200
 C                  4.87965500    0.58797900    3.57140800
 C                  3.68833200   -0.19345200    3.27876000
 C                  2.53217900    0.45870100    2.84563000
 C                  1.73322000   -0.09190600    1.77062900
 C                  1.07533100    0.98447300    1.04811200
 C                  0.81799500    0.84960500   -0.47738700
 C                  1.47938900    1.95738000   -1.29927600
 C                  2.14179300    1.40142900   -2.44228900
 C                  3.21833900    2.06273700   -3.04424500
 C                  7.11636200    3.18889800   -1.10397300
 C                  5.60086900   -0.76159200   -2.94107500
 C                  6.74585000   -0.01477600   -2.65622000
 C                  7.55058400   -0.34105300   -1.49301100
 C                  7.18537300   -1.40224600   -0.65975100
 C                  5.99521000   -2.17437500   -0.95214800
 C                  3.77042800   -1.86921100   -1.96823400
 C                  3.25813500   -0.78155000   -2.76777800
 C                  4.38843100   -0.08903800   -3.37481800
 C                  4.36863000    1.29923600   -3.50694700
 C                  5.55970000    2.07805500   -3.21483000
 C                  6.72498100    1.43358200   -2.79685800
 C                  8.02646100    0.90359400   -0.91809600
 C                  8.09438400    1.03911100    0.46709400
 C                  7.74083000   -0.06345600    1.33726600
 C                  7.28343800   -1.26064000    0.78663500
 C                  6.16207700   -1.95360000    1.39132900
 C                  5.35781100   -2.50927700    0.31553700
 C                  3.96588200   -2.50409700    0.41410300
 C                  3.15803600   -2.17333000   -0.74531400
 C                  2.15945500   -0.04710500   -2.30145900
 C                  1.49748800   -0.39320500   -1.07115100
 C                  2.01049500   -1.41503900   -0.29288600
 C                  2.10186600   -1.29298800    1.17813800
 C                  3.31307900   -1.95404500    1.59741400
 C                  4.09500300   -1.42989000    2.64275300
 C                  5.53870100   -1.41658400    2.52428000
 C                  6.02657300   -0.17159700    3.10374100
 C                  7.10464100    0.49137700    2.51944000
 C                  7.51724000    2.00075000   -1.72069300
 C                  7.70641800    2.27620000    1.11211400
 C                  5.21799100   -1.86497000   -2.07190000
 C                 -0.96288100   -2.72614600    1.03586900
 N                 -0.22408200   -3.59855200    1.24185800
 K                  1.85394200   -5.49725100    1.68528400
 N                 -0.50349600   -7.16549200    2.31334100
 K                 -2.93227800   -5.75314100    1.56294900
 C                 -0.44547700   -7.98962100    1.47094000
 C                 -2.47678100   -5.75862200   -1.30064100
 K                 -0.04578500   -8.06175800   -1.44073600
 K                  0.11063800   -3.62723400   -2.60879800
 N                 -1.77312300   -5.71152900   -2.24522700
 C                  2.09424900   -5.56476900   -1.80653000
 N                  2.34435500   -6.36942700   -0.98170300

28 102 F

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

K 0
LanL2DZ

solventname=c60
eps=4.08
epsinf=3.83




