%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                 -3.86813500    4.13425300    1.83131600
 C                 -3.12943600    4.39205300    0.60661400
 C                 -3.82347500    4.61512900   -0.58807600
 C                 -5.27562000    4.57214500   -0.60669400
 C                 -5.98052400    4.32031800    0.57182700
 C                 -5.26232000    4.10370400    1.81750900
 C                 -3.12447700    3.16485100    2.61598400
 C                 -1.92459800    2.81780100    1.89023400
 C                 -1.92512900    3.58640600    0.62115400
 C                 -1.44232800    3.03508500   -0.55031500
 C                 -3.34273600    4.01104900   -1.80760000
 C                 -5.69149900    3.93953600   -1.84842100
 C                 -6.79419800    3.08085800   -1.85864700
 C                 -7.52998500    2.82622100   -0.63299700
 C                 -7.12816500    3.43280200    0.55935600
 C                 -7.12766000    2.67458300    1.80126800
 C                 -5.97646600    3.08941100    2.57916800
 C                 -5.26518300    2.15392600    3.33259500
 C                 -3.81529200    2.19543200    3.35813200
 C                 -1.46638000    1.51618900    1.91654800
 C                 -2.19500400    0.51139700    2.63202800
 C                 -3.33744900    0.83373300    3.36836800
 C                 -4.48428800   -0.06553100    3.37259000
 C                 -5.67590400    0.75493300    3.33404900
 C                 -6.78979900    0.35633800    2.58659000
 C                 -7.51992000    1.33353700    1.80070000
 C                 -7.92976900    0.70020600    0.55718400
 C                 -7.93488200    1.42992400   -0.63266900
 C                 -4.49482900    3.58899500   -2.59170000
 C                 -5.77471500   -0.83625900   -2.58521800
 C                 -5.09988400    0.14160500   -3.31919500
 C                 -3.64907600    0.19451600   -3.28543700
 C                 -2.92692900   -0.72340000   -2.51207500
 C                 -3.63296000   -1.73669600   -1.74798300
 C                 -5.77093300   -2.06810700   -0.58180600
 C                 -6.97221300   -1.25293700   -0.60584200
 C                 -6.97446900   -0.49144600   -1.84689000
 C                 -7.44978400    0.82248400   -1.86022000
 C                 -6.74671100    1.84243100   -2.61901800
 C                 -5.59537300    1.50835600   -3.33613900
 C                 -3.25034500    1.58062800   -3.29029200
 C                 -2.15326500    1.97446300   -2.51915600
 C                 -1.40297000    1.01289600   -1.75964900
 C                 -1.77392000   -0.30804000   -1.75584200
 C                 -2.91254100   -1.97817200   -0.52089800
 C                 -3.63102800   -2.22167900    0.65324400
 C                 -5.08429900   -2.26472000    0.61881700
 C                 -7.44185500   -0.66806800    0.57157900
 C                 -6.73233900   -0.87796300    1.82328400
 C                 -5.57783300   -1.66472300    1.84537200
 C                 -4.42318100   -1.24983800    2.62883700
 C                 -3.22363200   -1.63206600    1.90936200
 C                 -2.14551600   -0.72275200    1.85044000
 C                 -1.35294900   -0.51602700    0.69842800
 C                 -0.72609400    0.87409600    0.76331600
 C                 -0.71156300    1.69731800   -0.59491500
 C                 -4.44888900    2.40195900   -3.32278000
 C                 -2.19193600    3.21585900   -1.76771900
 C                 -5.02991900   -1.80995300   -1.80119600
 C                 -1.63528700   -1.19705200   -0.53395900
 C                 -0.28946500   -2.46826100   -1.05873400
 C                  4.02421300    2.12031300    3.31110800
 C                  5.46996300    1.99175400    3.28155100
 C                  6.22318900    2.84405800    2.47549900
 C                  5.56396200    3.86124900    1.66902800
 C                  4.17658700    3.97627400    1.68767700
 C                  3.38623700    3.08745700    2.52143700
 C                  3.46616800    0.79196600    3.39429100
 C                  4.56082900   -0.16971400    3.41781000
 C                  5.80349200    0.57564700    3.34552500
 C                  6.87776200    0.07067100    2.60660000
 C                  7.32857800    2.31355500    1.70508800
 C                  6.27372500    3.96483900    0.40587700
 C                  5.58620300    4.21176800   -0.78116700
 C                  4.14262700    4.34761300   -0.75784100
 C                  3.44832600    4.22003200    0.45335000
 C                  2.20203200    3.48868700    0.51125100
 C                  2.16285100    2.77627000    1.81446600
 C                  1.61553900    1.51421000    1.91519200
 C                  2.29484800    0.50308600    2.68703600
 C                  4.44076400   -1.38981700    2.74948000
 C                  3.21875300   -1.70225800    2.02857200
 C                  2.17835400   -0.76461800    1.98664500
 C                  1.43310900   -0.53631800    0.78110700
 C                  0.84424200    0.86304100    0.78459500
 C                  0.87343500    1.63528300   -0.60966700
 C                  1.68754800    2.91442200   -0.63361000
 C                  2.42721500    2.99830300   -1.86750500
 C                  3.62158300    3.71892700   -1.94857500
 C                  7.33556700    2.98863000    0.42328600
 C                  5.71322900    1.01223200   -3.36723500
 C                  6.88595400    1.30676300   -2.67096000
 C                  7.53484900    0.28258100   -1.86668700
 C                  6.98575800   -0.99834700   -1.78745700
 C                  5.76487500   -1.30425700   -2.50735200
 C                  3.69436600   -0.17875200   -3.25351900
 C                  3.37532000    1.22804000   -3.31927900
 C                  4.62092500    1.97259900   -3.38928100
 C                  4.74047300    3.18992700   -2.71786100
 C                  5.95895400    3.49745700   -1.99335300
 C                  7.00736800    2.57403200   -1.97054600
 C                  8.05789700    0.91481600   -0.66899900
 C                  8.02358200    0.24684700    0.55659900
 C                  7.45945100   -1.08782900    0.64001500
 C                  6.94718000   -1.69684700   -0.50813200
 C                  5.70362200   -2.43780200   -0.43711600
 C                  4.96993700   -2.18988000   -1.66954000
 C                  3.58430300   -2.03540200   -1.62835300
 C                  2.93105600   -1.01517800   -2.43235800
 C                  2.30589400    1.72816200   -2.56465000
 C                  1.50369000    0.85679200   -1.75689800
 C                  1.82807600   -0.47821900   -1.67296100
 C                  1.78811000   -1.19084900   -0.37719500
 C                  2.88000900   -2.13779600   -0.36485700
 C                  3.57913500   -2.40436400    0.81485600
 C                  5.02139700   -2.54547400    0.77985500
 C                  5.55702900   -1.91479800    1.97732700
 C                  6.75127500   -1.19752500    1.90579600
 C                  7.72354900    2.32527000   -0.73504500
 C                  7.65997000    0.96064100    1.77014500
 C                  5.13961500   -0.32155300   -3.28171100
 N                 -0.08340300   -3.61437900   -1.22886900
 K                  2.10511900   -5.44080000   -1.61779100
 N                  1.90331300   -5.83153500    1.24768500
 C                  0.19529600   -7.37859900   -2.70505200
 K                 -0.02118800   -3.89739300    2.13687600
 C                  1.57639000   -6.95775800    1.37561000
 N                 -0.82495800   -7.61643700   -2.16224000
 C                 -2.29936200   -5.66332000    1.82231800
 K                 -0.79836800   -8.50178800    0.58859300
 K                 -2.52725400   -5.35292800   -1.62961200
 N                 -2.75389800   -6.39888600    1.02032000

61 90 F

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

K 0
LanL2DZ

solventname=c60
eps=4.08
epsinf=3.83


