%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                 -3.23197100    0.40525200   -3.36760300
 C                 -3.13921100    1.47137000   -2.38231200
 C                 -2.31154900    2.57125500   -2.61573800
 C                 -1.52598300    2.63764000   -3.83570100
 C                 -1.60991800    1.61315100   -4.78062600
 C                 -2.48105200    0.47386100   -4.54042300
 C                 -3.35267200   -0.85535300   -2.65463800
 C                 -3.33135400   -0.56370500   -1.23091800
 C                 -3.20509200    0.87098800   -1.06543400
 C                 -2.43412900    1.38260100   -0.01621400
 C                 -1.50237900    3.10202800   -1.53215300
 C                 -0.23399900    3.22213000   -3.50966200
 C                  0.92121500    2.75534100   -4.13967600
 C                  0.83454800    1.68863400   -5.12447900
 C                 -0.40595300    1.12613600   -5.43294300
 C                 -0.53526000   -0.31240000   -5.60092300
 C                 -1.81719300   -0.71670400   -5.04775500
 C                 -1.93293600   -1.92739900   -4.36282700
 C                 -2.71699900   -1.99798600   -3.14120200
 C                 -2.67816900   -1.42987100   -0.35340500
 C                 -2.01836400   -2.61377100   -0.85704500
 C                 -2.03594800   -2.89946800   -2.22502500
 C                 -0.84110600   -3.39450100   -2.87912000
 C                 -0.76965700   -2.78628400   -4.19601900
 C                  0.46065300   -2.39983100   -4.73234800
 C                  0.57961700   -1.13639400   -5.44221600
 C                  1.87062500   -0.55222400   -5.11595600
 C                  1.99504400    0.83019800   -4.95898200
 C                 -0.21897500    3.50683600   -2.08515500
 C                  3.46735700    0.79625200   -1.57013400
 C                  2.83421200    1.93891600   -1.08494500
 C                  2.04604200    1.86819400    0.13819400
 C                  1.91260300    0.64780800    0.81039000
 C                  2.57782800   -0.54471300    0.30852800
 C                  3.25385300   -1.52995000   -1.83404400
 C                  3.30938200   -0.92910000   -3.15312500
 C                  3.44921200    0.50729400   -2.99282300
 C                  2.80187700    1.37096800   -3.87743300
 C                  2.13917900    2.56091600   -3.37130800
 C                  2.15531600    2.83914300   -2.00223300
 C                  0.88653100    2.72191600   -0.02432300
 C                 -0.34579200    2.32478200    0.50091400
 C                 -0.46703900    1.06561800    1.21505000
 C                  0.64560300    0.25206500    1.37991600
 C                  1.73182200   -1.68636000    0.56930600
 C                  1.63273500   -2.69383100   -0.38053800
 C                  2.41243900   -2.61995100   -1.60259000
 C                  2.54168300   -1.44884400   -4.19330700
 C                  1.67254200   -2.59001800   -3.95482400
 C                  1.60910800   -3.16116500   -2.68239900
 C                  0.32780300   -3.57245400   -2.12487700
 C                  0.34512200   -3.31140300   -0.70258500
 C                 -0.79773000   -2.79726300   -0.08169500
 C                 -0.72572800   -1.76329000    0.92278600
 C                 -1.85567600   -0.89355000    0.72720900
 C                 -1.77928300    0.49553800    0.92081500
 C                  0.95170800    3.32472100   -1.34578700
 C                 -1.56181900    2.52295100   -0.26275600
 C                  3.34650200   -0.46853300   -0.85599000
 C                  0.54624000   -1.24495500    1.37299100
 C                  0.83582300   -1.67177500    3.25610900
 N                  0.53569500   -1.48896200    4.37823800
 K                  1.02798200   -2.09255500    7.15569500
 K                  1.88770300    1.53882400    4.52223700
 N                  2.01871000    0.62431100    7.23784000
 C                 -1.82126600   -1.70070500    7.62960900
 C                 -0.80214000    2.57578200    4.60531000
 C                  1.24214400    1.21105000    7.90494400
 N                 -2.56625900   -0.85512500    7.28031300
 N                 -1.85321000    2.28191100    5.05232700
 K                 -1.63831700    1.83249100    7.91049300
 K                 -2.40331700   -0.47330100    4.42601700

9 36 F

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

K 0
LanL2DZ

solventname=c60
eps=4.08
epsinf=3.83



