%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                 -3.51867400    4.46400600    0.38724200
 C                 -2.73558600    4.05053500   -0.76677700
 C                 -3.35623600    3.80058600   -1.99909900
 C                 -4.79453200    3.93033700   -2.11592400
 C                 -5.54695100    4.32006100   -1.00242000
 C                 -4.90037600    4.59634300    0.27140300
 C                 -2.94178100    3.86173200    1.57873900
 C                 -1.80476400    3.07562600    1.17148100
 C                 -1.68245700    3.18531100   -0.29871100
 C                 -1.29794200    2.10267500   -1.05534300
 C                 -2.94642200    2.66091300   -2.78748300
 C                 -5.26720500    2.86569800   -2.99482300
 C                 -6.47253800    2.22479900   -2.71495700
 C                 -7.23773500    2.62791200   -1.55247600
 C                 -6.80118900    3.65482200   -0.71536000
 C                 -6.94413600    3.53311100    0.72652000
 C                 -5.76602800    4.11349000    1.33995100
 C                 -5.21540700    3.53010400    2.48394800
 C                 -3.77751400    3.40812100    2.61330900
 C                 -1.55963300    1.86323400    1.78531100
 C                 -2.40642200    1.38708500    2.84011400
 C                 -3.50077100    2.14208300    3.25789300
 C                 -4.76100400    1.47868000    3.55523900
 C                 -5.82022000    2.33207000    3.06381800
 C                 -6.96052100    1.77713200    2.47623400
 C                 -7.51602000    2.38445300    1.28204600
 C                 -7.96288700    1.31688800    0.41107300
 C                 -7.77406100    1.43256100   -0.96087800
 C                 -4.12344700    2.07364100   -3.40547500
 C                 -6.03275500   -1.71538600   -1.56969500
 C                 -5.21082600   -1.24949600   -2.60183200
 C                 -3.77200500   -1.36572900   -2.47449300
 C                 -3.20980800   -1.93127900   -1.32031400
 C                 -4.06655700   -2.40942100   -0.24746000
 C                 -6.24295100   -1.91340900    0.76384400
 C                 -7.30996100   -1.05246100    0.29255800
 C                 -7.17455000   -0.92975100   -1.15261500
 C                 -7.42463700    0.29456000   -1.77121100
 C                 -6.59013100    0.77964400   -2.85248600
 C                 -5.49407800    0.01973400   -3.25728400
 C                 -3.17478400   -0.18188900   -3.05036600
 C                 -2.05304000    0.37814400   -2.43650600
 C                 -1.46722200   -0.23831100   -1.27804400
 C                 -2.01442200   -1.37939600   -0.74647900
 C                 -3.42597700   -2.18396600    1.01420100
 C                 -4.17260600   -1.75694900    2.10597300
 C                 -5.61089100   -1.63008000    1.98107200
 C                 -7.69787700    0.04860800    1.05680700
 C                 -7.06145700    0.33331000    2.33222200
 C                 -6.03040600   -0.49287600    2.78130100
 C                 -4.84711600    0.08533200    3.39971700
 C                 -3.70089400   -0.71482900    3.02157400
 C                 -2.51213100   -0.05964300    2.67481100
 C                 -1.67366400   -0.45026800    1.58719400
 C                 -1.04566600    0.69395200    1.04786500
 C                 -0.74425400    0.80865500   -0.45527700
 C                 -4.23331600    0.68398000   -3.54006100
 C                 -1.94147600    1.82092900   -2.29815900
 C                 -5.45896000   -2.32221500   -0.37959000
 C                 -1.96483400   -1.70121800    0.77069900
 C                  3.92079300    3.76597600    2.12004800
 C                  5.36076600    3.80366700    1.99313700
 C                  5.95623900    4.13808800    0.76859400
 C                  5.12838000    4.42635600   -0.38952500
 C                  3.74085700    4.37099800   -0.27706000
 C                  3.11692100    4.02989000    0.99769200
 C                  3.57818800    2.66102900    2.99598000
 C                  4.80635900    2.01320000    3.42971500
 C                  5.90958800    2.72463400    2.80753600
 C                  7.01636600    2.01129200    2.35708300
 C                  7.10473700    3.39080700    0.30158800
 C                  5.78133500    3.87583100   -1.57284000
 C                  5.02501800    3.30835300   -2.60258400
 C                  3.58041200    3.26292700   -2.48933600
 C                  2.95700900    3.77719200   -1.34252900
 C                  1.85971600    3.06695400   -0.73329000
 C                  1.94181800    3.24060800    0.72943800
 C                  1.63108300    2.16230600    1.55916000
 C                  2.45893400    1.87907000    2.71698500
 C                  4.85885500    0.62299800    3.57954900
 C                  3.68447800   -0.18759100    3.30040500
 C                  2.51532900    0.43922500    2.86993300
 C                  1.72932100   -0.13741300    1.80011400
 C                  1.06635200    0.92072600    1.06855400
 C                  0.80638600    0.77059800   -0.44571600
 C                  1.43147000    1.87934900   -1.28158500
 C                  2.07861900    1.32933800   -2.43033400
 C                  3.12916900    2.01179500   -3.05088000
 C                  7.00550800    3.23439700   -1.14453300
 C                  5.56411600   -0.76886900   -2.94184400
 C                  6.69363600    0.00559800   -2.67269700
 C                  7.50482400   -0.29483800   -1.50898600
 C                  7.17123800   -1.35713600   -0.66260800
 C                  5.99942400   -2.15849200   -0.94005600
 C                  3.76513300   -1.90696200   -1.94399600
 C                  3.22705900   -0.83619300   -2.75040400
 C                  4.33673100   -0.12271600   -3.37218500
 C                  4.28872300    1.26552700   -3.51667800
 C                  5.46388700    2.07359200   -3.24044600
 C                  6.64264800    1.45450300   -2.82572100
 C                  7.94405400    0.96605700   -0.94734500
 C                  7.97119700    1.11366400    0.43208600
 C                  7.68957000    0.01318100    1.31847200
 C                  7.27198400   -1.20236200    0.78278300
 C                  6.17655400   -1.91755600    1.40468900
 C                  5.37932000   -2.49832100    0.33698000
 C                  3.98932300   -2.52076600    0.44587400
 C                  3.16916800   -2.21499000   -0.71219900
 C                  2.12226300   -0.11789900   -2.27871500
 C                  1.48383400   -0.46615300   -1.03799900
 C                  2.01374100   -1.47415900   -0.25576500
 C                  2.11053500   -1.33873200    1.21453300
 C                  3.33504800   -1.97260800    1.63121700
 C                  4.11130200   -1.42228200    2.66918600
 C                  5.55159100   -1.38056800    2.53932800
 C                  6.01539500   -0.11957300    3.10855200
 C                  7.06827000    0.56374500    2.50782800
 C                  7.42235700    2.04815100   -1.75661300
 C                  7.60708500    2.34847600    1.07580700
 C                  5.21040600   -1.87317500   -2.05877600
 C                 -1.00451500   -2.79045500    1.03937900
 N                 -0.25999800   -3.65704000    1.24963300
 K                  1.90347100   -5.49404700    1.64815400
 N                 -0.37426700   -7.24370200    2.30385500
 K                 -2.84040100   -5.87604400    1.65511600
 C                 -0.31927900   -8.07776300    1.47098100
 C                 -2.45805500   -5.82496100   -1.22310800
 K                  0.01493400   -8.10855900   -1.45145700
 K                  0.07847500   -3.67274700   -2.59901700
 N                 -1.76345800   -5.79489200   -2.17526200
 C                  2.12020500   -5.57263500   -1.85845100
 N                  2.35740100   -6.36861400   -1.02140100

28 102 F

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

K 0
LanL2DZ

solventname=c60
eps=4.08
epsinf=3.83




