%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                 -3.64912100    4.07126000    1.84452100
 C                 -2.92549800    4.29898400    0.60514100
 C                 -3.63053500    4.58358800   -0.57003900
 C                 -5.08210400    4.63427700   -0.55372600
 C                 -5.77366800    4.41116000    0.63872700
 C                 -5.04217800    4.13024500    1.86395400
 C                 -2.95148400    3.04311900    2.59681700
 C                 -1.79625100    2.62916400    1.83599900
 C                 -1.77882400    3.41566300    0.57942400
 C                 -1.36887600    2.84646100   -0.60903800
 C                 -3.21882100    3.96710700   -1.80862400
 C                 -5.56671200    4.04840800   -1.79373600
 C                 -6.72176700    3.26192900   -1.78806500
 C                 -7.44388800    3.03729800   -0.54838100
 C                 -6.97577400    3.59844200    0.64229400
 C                 -6.99574700    2.82385400    1.87381600
 C                 -5.80176000    3.15175800    2.62875000
 C                 -5.13464800    2.16132100    3.35191800
 C                 -3.68485800    2.10835800    3.34181200
 C                 -1.42409100    1.30050300    1.83012800
 C                 -2.19291700    0.33406400    2.55244100
 C                 -3.29546900    0.71908800    3.32048700
 C                 -4.49737600   -0.10389100    3.34424500
 C                 -5.63433800    0.79139400    3.34471900
 C                 -6.78937800    0.47683900    2.61961200
 C                 -7.47310700    1.51041400    1.86469700
 C                 -7.95155600    0.92381500    0.62281500
 C                 -7.93737200    1.67016400   -0.55690000
 C                 -4.41276100    3.63265600   -2.57038300
 C                 -5.97475500   -0.70067100   -2.59220800
 C                 -5.25418300    0.24240000   -3.32836600
 C                 -3.80233100    0.20110000   -3.32987500
 C                 -3.12173400   -0.77137300   -2.58718700
 C                 -3.87694600   -1.74642100   -1.81930500
 C                 -6.00345600   -1.95897400   -0.60653100
 C                 -7.14992900   -1.06884300   -0.58986100
 C                 -7.13195800   -0.29036100   -1.82005100
 C                 -7.52089700    1.05100800   -1.80393000
 C                 -6.77148400    2.03480500   -2.56611600
 C                 -5.66008600    1.63784300   -3.31413800
 C                 -3.31384200    1.55839700   -3.32567000
 C                 -2.17347400    1.86784600   -2.57915200
 C                 -1.45714300    0.84837400   -1.85594600
 C                 -1.92130900   -0.44426000   -1.85732900
 C                 -3.15111600   -2.04512300   -0.61207800
 C                 -3.85074100   -2.26472900    0.57504100
 C                 -5.30356200   -2.21683600    0.57529200
 C                 -7.55237700   -0.47293900    0.60673600
 C                 -6.82889600   -0.74673100    1.83832900
 C                 -5.72651700   -1.60527300    1.82144600
 C                 -4.52759400   -1.27650100    2.58054500
 C                 -3.37175400   -1.72458400    1.82861000
 C                 -2.23598400   -0.88828900    1.75205200
 C                 -1.44654000   -0.71873400    0.58695700
 C                 -0.73414600    0.63096000    0.65672000
 C                 -0.70858200    1.47441500   -0.69078200
 C                 -4.45804900    2.45522200   -3.31691300
 C                 -2.12297100    3.09639100   -1.80751600
 C                 -5.27705300   -1.73145500   -1.84006200
 C                 -1.82244600   -1.35367500   -0.64813400
 C                 -0.63820900   -2.76861200   -1.19415500
 C                  3.90061200    2.08628300    3.29127900
 C                  5.35212500    2.05624500    3.29785400
 C                  6.07325300    2.96351600    2.51893100
 C                  5.37019400    3.93952600    1.70119100
 C                  3.97592100    3.95714800    1.68435500
 C                  3.22217200    3.01269100    2.49058700
 C                  3.42439200    0.72499500    3.35430900
 C                  4.57862900   -0.16147500    3.40146400
 C                  5.77274500    0.66539200    3.36614800
 C                  6.89460000    0.23974300    2.65174500
 C                  7.24030600    2.52160800    1.78066800
 C                  6.11257900    4.10937700    0.46179900
 C                  5.42983400    4.30506500   -0.74033900
 C                  3.97844700    4.33897300   -0.75388500
 C                  3.26260100    4.15939200    0.43581800
 C                  2.06613900    3.34661200    0.45838200
 C                  2.03953900    2.62347400    1.75241200
 C                  1.56903900    1.32842800    1.83145000
 C                  2.29126400    0.36202600    2.61760300
 C                  4.55316700   -1.38156200    2.72624900
 C                  3.37084000   -1.76919700    1.97166600
 C                  2.26693800   -0.90872900    1.91164700
 C                  1.53050900   -0.72666200    0.68794200
 C                  0.85124100    0.63106800    0.68508700
 C                  0.87504700    1.41838300   -0.70415700
 C                  1.62417000    2.73934800   -0.69793300
 C                  2.37993100    2.88307900   -1.91211900
 C                  3.52665400    3.68302500   -1.95771300
 C                  7.26478400    3.23017300    0.50870900
 C                  5.81834100    1.13435200   -3.33332300
 C                  6.95221800    1.50310100   -2.60664400
 C                  7.64523700    0.52030700   -1.79193300
 C                  7.17669200   -0.79394100   -1.73405300
 C                  5.99688900   -1.17662200   -2.48508900
 C                  3.87690700   -0.18980700   -3.27885300
 C                  3.46966500    1.19349200   -3.34615600
 C                  4.66690000    2.01953400   -3.37999300
 C                  4.69481300    3.23684600   -2.70086100
 C                  5.87449000    3.62286600   -1.94576500
 C                  6.98149300    2.77354200   -1.89909300
 C                  8.10264000    1.18145000   -0.58129800
 C                  8.07945500    0.50278900    0.63768700
 C                  7.59768500   -0.86702900    0.69941200
 C                  7.15243900   -1.50242200   -0.46181500
 C                  5.95763700   -2.32331400   -0.42615500
 C                  5.23811100   -2.11712200   -1.67468200
 C                  3.84364500   -2.06247600   -1.67232500
 C                  3.14383900   -1.08227400   -2.48746900
 C                  2.34910800    1.61414600   -2.62022200
 C                  1.56998000    0.68506700   -1.84566500
 C                  1.97670200   -0.63085900   -1.75947400
 C                  1.95863700   -1.35046700   -0.46324800
 C                  3.11062700   -2.22476300   -0.42798900
 C                  3.80336400   -2.44342800    0.76908500
 C                  5.25434300   -2.48494800    0.77041200
 C                  5.71980500   -1.82591400    1.98149400
 C                  6.86661500   -1.03060600    1.94400200
 C                  7.69160200    2.57410400   -0.64786500
 C                  7.64370100    1.18625300    1.84399500
 C                  5.32891200   -0.23392500   -3.27032800
 N                 -0.26722700   -3.87935600   -1.09819000
 K                  1.99263200   -5.58244900   -1.61558300
 N                  1.93138500   -5.89482800    1.26295500
 C                  0.02589600   -7.55036000   -2.50384700
 K                 -0.04870800   -3.98152700    2.07621100
 C                  1.60083300   -7.01292800    1.44258100
 N                 -1.01520100   -7.84205800   -2.03186400
 C                 -2.32051600   -5.78469000    1.94117700
 K                 -0.77116800   -8.61988700    0.76923900
 K                 -2.76663100   -5.62098700   -1.46211100
 N                 -2.81159400   -6.59210000    1.23564600

61 90 F

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

K 0
LanL2DZ

solventname=c60
eps=4.08
epsinf=3.83


