%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                 -3.68744400    4.47126500    0.32912800
 C                 -2.90244000    4.07132100   -0.82705500
 C                 -3.53860500    3.78777700   -2.04155200
 C                 -4.98533100    3.86938500   -2.13888700
 C                 -5.73810100    4.24475900   -1.02446200
 C                 -5.07663200    4.55790600    0.23211200
 C                 -3.07096800    3.90800100    1.51697500
 C                 -1.90547100    3.15896200    1.10664300
 C                 -1.80182800    3.25474500   -0.36786700
 C                 -1.36822700    2.18292500   -1.12032400
 C                 -3.10112100    2.65362100   -2.81784500
 C                 -5.44102100    2.78089500   -2.99016000
 C                 -6.63127700    2.11228800   -2.68956900
 C                 -7.41729900    2.50832800   -1.53485200
 C                 -6.97558000    3.55139100   -0.71537400
 C                 -7.08770500    3.44613200    0.72908000
 C                 -5.91307000    4.06697200    1.31669400
 C                 -5.32460000    3.51825800    2.45675500
 C                 -3.88028900    3.44398100    2.56602600
 C                 -1.60408200    1.96634200    1.73458800
 C                 -2.43774000    1.47633500    2.79801200
 C                 -3.55277600    2.19786200    3.22108700
 C                 -4.79075000    1.50125900    3.54421500
 C                 -5.88474200    2.31135400    3.05808000
 C                 -7.01927200    1.71654600    2.49386900
 C                 -7.62273300    2.29041000    1.30402900
 C                 -8.07203100    1.20121700    0.45326700
 C                 -7.97345700    1.30791700   -0.93655400
 C                 -4.27446000    2.02549300   -3.40595000
 C                 -6.04101700   -1.78265200   -1.50894000
 C                 -5.24478300   -1.30770300   -2.55382300
 C                 -3.79826800   -1.37562900   -2.44554500
 C                 -3.19859800   -1.90529500   -1.29653800
 C                 -4.02876200   -2.39733700   -0.21008800
 C                 -6.20959000   -1.96218300    0.82388000
 C                 -7.31618700   -1.14433100    0.35785000
 C                 -7.21110900   -1.03412900   -1.09028800
 C                 -7.53416400    0.16847100   -1.72372900
 C                 -6.70556900    0.66578800   -2.80844000
 C                 -5.58180000   -0.05909600   -3.21456900
 C                 -3.24422900   -0.18350900   -3.03983800
 C                 -2.12169100    0.41422300   -2.45579400
 C                 -1.48389400   -0.16920500   -1.30372000
 C                 -2.00657700   -1.31421700   -0.74952200
 C                 -3.37578000   -2.14052300    1.03722700
 C                 -4.12218900   -1.72547800    2.13327700
 C                 -5.56696700   -1.64603800    2.02651100
 C                 -7.73500100   -0.04815100    1.11195300
 C                 -7.07698200    0.27242000    2.36997200
 C                 -6.01139900   -0.51355800    2.81610600
 C                 -4.83549100    0.10656400    3.40793200
 C                 -3.66762400   -0.66010000    3.02468800
 C                 -2.50135500    0.02618600    2.64954200
 C                 -1.65590200   -0.35145800    1.56460600
 C                 -1.03848300    0.80292800    1.01152100
 C                 -0.74987100    0.91004300   -0.50798900
 C                 -4.34284300    0.63648300   -3.52193200
 C                 -2.04877000    1.86072300   -2.34040600
 C                 -5.42729800   -2.35631700   -0.32310800
 C                 -1.92902300   -1.62074100    0.76856900
 C                  4.05120200    3.74663700    2.13957200
 C                  5.49510300    3.73876300    2.02775000
 C                  6.10929300    4.04883200    0.81297200
 C                  5.30281900    4.38449600   -0.34382900
 C                  3.91152900    4.37426400   -0.24640500
 C                  3.26290900    4.04292200    1.01565400
 C                  3.66797900    2.64720100    2.99886200
 C                  4.87731900    1.96255600    3.43574000
 C                  6.01039700    2.64119500    2.83241600
 C                  7.11254600    1.90714300    2.39039500
 C                  7.25746000    3.29316700    0.35739300
 C                  5.95732100    3.83779400   -1.52303200
 C                  5.19182600    3.30799400   -2.56303000
 C                  3.74292900    3.30364200   -2.46533100
 C                  3.11632100    3.82082800   -1.32389800
 C                  1.97956300    3.14420300   -0.73793500
 C                  2.05987200    3.29836200    0.72899500
 C                  1.69900800    2.22653600    1.54621000
 C                  2.52337700    1.90666500    2.70127700
 C                  4.88971800    0.57390700    3.57199400
 C                  3.69105700   -0.19489500    3.27512500
 C                  2.53926700    0.46644700    2.83947800
 C                  1.73404500   -0.07427500    1.76328700
 C                  1.07566400    1.00776500    1.04160900
 C                  0.82068300    0.87822400   -0.49119400
 C                  1.49976000    1.98331000   -1.30910900
 C                  2.17057100    1.42343400   -2.44853800
 C                  3.25889800    2.07405100   -3.04329600
 C                  7.16511900    3.16111700   -1.08959700
 C                  5.62272100   -0.76622600   -2.93696900
 C                  6.77403500   -0.03137600   -2.64605700
 C                  7.57609600   -0.36649800   -1.48169600
 C                  7.19781400   -1.42525700   -0.65152900
 C                  5.99988800   -2.18424700   -0.94920800
 C                  3.78077300   -1.85335200   -1.97024600
 C                  3.27672000   -0.76426900   -2.77101700
 C                  4.41580600   -0.08379500   -3.37405800
 C                  4.40658900    1.30359700   -3.50360400
 C                  5.60433100    2.06982600   -3.20569900
 C                  6.76459700    1.41590000   -2.78452200
 C                  8.06703400    0.87148400   -0.90254100
 C                  8.15675400    1.00276200    0.48569700
 C                  7.76881700   -0.09817000    1.35081500
 C                  7.29494900   -1.28772200    0.79558900
 C                  6.16210300   -1.96942400    1.39432700
 C                  5.35554100   -2.51400300    0.31537700
 C                  3.96364400   -2.49152700    0.41010800
 C                  3.16736200   -2.13985800   -0.74748100
 C                  2.17833200   -0.02450200   -2.30939300
 C                  1.50461100   -0.36645200   -1.08263600
 C                  2.01599200   -1.38701900   -0.30145700
 C                  2.10104700   -1.27416600    1.16970500
 C                  3.30764700   -1.94496900    1.59153200
 C                  4.09126700   -1.43242400    2.63954800
 C                  5.53700500   -1.43139400    2.52529400
 C                  6.03386800   -0.19253400    3.10688600
 C                  7.12335000    0.46011000    2.52834000
 C                  7.56222700    1.97284000   -1.70590400
 C                  7.75192400    2.24064600    1.12847400
 C                  5.22826900   -1.86565000   -2.07006100
 C                 -0.95558000   -2.69951300    1.03255700
 N                 -0.21508000   -3.57126900    1.23550100
 K                  1.86268100   -5.47599300    1.67965700
 N                 -0.49714700   -7.13428700    2.29380800
 K                 -2.92285000   -5.72510900    1.55045300
 C                 -0.43970200   -7.96358600    1.45638100
 C                 -2.47548600   -5.71806900   -1.31295800
 K                 -0.04181300   -8.02583000   -1.45810200
 K                  0.11330200   -3.59623800   -2.61696900
 N                 -1.76733900   -5.68948800   -2.25505600
 C                  2.10642600   -5.52734300   -1.82031700
 N                  2.34142000   -6.33615000   -0.99499700

63 108 F

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

K 0
LanL2DZ

solventname=c60
eps=4.08
epsinf=3.83


