%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                 -3.69054600    4.09076800    1.82828900
 C                 -2.96397300    4.32306000    0.58734700
 C                 -3.65410100    4.58671600   -0.60707400
 C                 -5.10180200    4.59082000   -0.61154800
 C                 -5.77503200    4.32437200    0.57477100
 C                 -5.07931800    4.10631100    1.82705800
 C                 -2.99020600    3.08215900    2.60395900
 C                 -1.82130600    2.68646100    1.85547400
 C                 -1.80518100    3.46110400    0.58470500
 C                 -1.37444900    2.89757900   -0.59965100
 C                 -3.22381800    3.97326000   -1.84105800
 C                 -5.57127300    3.99021400   -1.85241700
 C                 -6.70704200    3.17219400   -1.85837600
 C                 -7.41163400    2.91554000   -0.62351800
 C                 -6.88088600    3.41455900    0.54940200
 C                 -6.98019000    2.73034100    1.80694400
 C                 -5.83171100    3.11965800    2.59367000
 C                 -5.16874300    2.15709300    3.34663600
 C                 -3.71763900    2.13944700    3.35388300
 C                 -1.42447700    1.36774100    1.87610900
 C                 -2.18765100    0.39179500    2.60448000
 C                 -3.30895200    0.75653100    3.35260400
 C                 -4.49920400   -0.09139100    3.36400700
 C                 -5.65210200    0.77725900    3.34040300
 C                 -6.79503500    0.42380900    2.60387200
 C                 -7.47385900    1.42985800    1.81746700
 C                 -7.93495300    0.83135700    0.57250300
 C                 -7.91403900    1.55994600   -0.62117000
 C                 -4.40515500    3.60279900   -2.61552900
 C                 -5.91004100   -0.77058400   -2.61808300
 C                 -5.19316300    0.18388000   -3.35525500
 C                 -3.74112200    0.18181700   -3.34127300
 C                 -3.06775000   -0.75788800   -2.56138200
 C                 -3.81698000   -1.73514800   -1.79245400
 C                 -5.94058800   -2.01498900   -0.60674300
 C                 -7.10138200   -1.14933700   -0.61514700
 C                 -7.08349300   -0.38335600   -1.85977100
 C                 -7.49023400    0.95003000   -1.86579600
 C                 -6.74554300    1.94585300   -2.63086900
 C                 -5.61827700    1.57284900   -3.36275300
 C                 -3.26877100    1.54858400   -3.34354200
 C                 -2.14078900    1.89546900   -2.58607300
 C                 -1.42942000    0.90275400   -1.82990600
 C                 -1.91052600   -0.37396600   -1.80366800
 C                 -3.12950800   -1.96496800   -0.55892800
 C                 -3.80598200   -2.24278200    0.61540600
 C                 -5.25355700   -2.24504000    0.59474300
 C                 -7.52274800   -0.55602700    0.57869400
 C                 -6.81224500   -0.80485100    1.82953800
 C                 -5.69440500   -1.63733300    1.83621300
 C                 -4.50895600   -1.27110300    2.60852800
 C                 -3.33862000   -1.68903800    1.87111000
 C                 -2.21946200   -0.83040500    1.81136000
 C                 -1.43919700   -0.63193100    0.64511200
 C                 -0.72630200    0.70669400    0.70456600
 C                 -0.70064000    1.53769200   -0.65617600
 C                 -4.42957800    2.41818100   -3.35522500
 C                 -2.11361700    3.12698600   -1.81721800
 C                 -5.21013300   -1.77834000   -1.83932000
 C                 -1.86062300   -1.21198300   -0.57208700
 C                 -0.77000300   -2.66459300   -1.20692300
 C                  3.95189100    2.08486400    3.30511100
 C                  5.40282100    2.03198500    3.29845900
 C                  6.13099700    2.93112200    2.51674900
 C                  5.43593000    3.92128000    1.70918400
 C                  4.04197800    3.96077200    1.70495800
 C                  3.28085600    3.02523800    2.51442100
 C                  3.45512700    0.73082000    3.36694100
 C                  4.59571700   -0.17378900    3.40017200
 C                  5.80223300    0.63452100    3.35741500
 C                  6.91095300    0.19437200    2.63137800
 C                  7.28450900    2.47419800    1.76635700
 C                  6.16983200    4.08462200    0.46399700
 C                  5.47945100    4.29597000   -0.73103400
 C                  4.02865400    4.35244700   -0.73132900
 C                  3.32043000    4.17927900    0.46381600
 C                  2.11123600    3.38509900    0.49379500
 C                  2.08524800    2.65795900    1.78589300
 C                  1.59567700    1.37004000    1.86434200
 C                  2.30998000    0.38874300    2.63919300
 C                  4.54518500   -1.39042700    2.72017000
 C                  3.35027300   -1.75652700    1.97448800
 C                  2.25959300   -0.87831800    1.92771300
 C                  1.51561200   -0.67981300    0.71154900
 C                  0.85804300    0.69007700    0.72161100
 C                  0.88239300    1.47866200   -0.66624900
 C                  1.64762700    2.79088700   -0.66105300
 C                  2.39729800    2.92684400   -1.88080300
 C                  3.55593000    3.70862700   -1.93378700
 C                  7.30889200    3.18770900    0.49713700
 C                  5.79603100    1.13024100   -3.34038600
 C                  6.94167500    1.47835400   -2.62216500
 C                  7.62644000    0.48153800   -1.81759000
 C                  7.13782500   -0.82547200   -1.76072400
 C                  5.94560200   -1.18680600   -2.50272000
 C                  3.83461600   -0.16403700   -3.27382100
 C                  3.44894900    1.22574800   -3.33157600
 C                  4.65822800    2.03341200   -3.37322300
 C                  4.71050800    3.24724500   -2.68911400
 C                  5.90263000    3.61182400   -1.94307200
 C                  6.99682400    2.74530200   -1.90982100
 C                  8.10489900    1.13049900   -0.60849900
 C                  8.08184600    0.44717800    0.60791300
 C                  7.57922400   -0.91513100    0.66848000
 C                  7.11361300   -1.53855100   -0.49115700
 C                  5.90669100   -2.34121400   -0.44821900
 C                  5.17936600   -2.11873400   -1.68934600
 C                  3.78605800   -2.04355100   -1.67483700
 C                  3.09492800   -1.04884300   -2.47962700
 C                  2.34244500    1.66106100   -2.59296300
 C                  1.55928600    0.74065800   -1.81419900
 C                  1.94209600   -0.58266000   -1.73913600
 C                  1.92245400   -1.30724900   -0.44587300
 C                  3.06106900   -2.19979400   -0.42447100
 C                  3.76145800   -2.43282800    0.76567800
 C                  5.21152100   -2.49674100    0.75391100
 C                  5.69795900   -1.84991000    1.96338400
 C                  6.85656200   -1.07232000    1.91876800
 C                  7.71466400    2.52954100   -0.66576700
 C                  7.66749100    1.13249500    1.82076500
 C                  5.28576400   -0.23062600   -3.27841500
 N                 -0.46534900   -3.79518100   -1.08475100
 K                  1.80942100   -5.46461300   -1.66893600
 N                  1.85980000   -5.85715600    1.19343700
 C                 -0.12486700   -7.48113200   -2.55318300
 K                 -0.08074900   -3.93991600    2.05829700
 C                  1.58251800   -6.98607300    1.39464100
 N                 -1.10234000   -7.75899600   -1.95367700
 C                 -2.34750900   -5.76012700    2.11824100
 K                 -0.82273700   -8.56965400    0.81330900
 K                 -2.87673800   -5.57405000   -1.33452200
 N                 -2.82768800   -6.52295500    1.35746000

15 61 F

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

K 0
LanL2DZ

solventname=c60
eps=4.08
epsinf=3.83





