%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                 -3.26144100    0.39757000   -3.29845500
 C                 -3.16413100    1.44646200   -2.28684500
 C                 -2.33390000    2.56166400   -2.48229000
 C                 -1.53579500    2.65156600   -3.68629900
 C                 -1.60760200    1.61989600   -4.61149900
 C                 -2.49860800    0.48949700   -4.45396000
 C                 -3.37503600   -0.88948000   -2.63165800
 C                 -3.35309000   -0.62960500   -1.20293700
 C                 -3.23594700    0.80769100   -0.99062900
 C                 -2.44465500    1.29809900    0.05935500
 C                 -1.51343200    3.07098400   -1.39674500
 C                 -0.23842100    3.23225000   -3.36295100
 C                  0.92443400    2.78258300   -3.99980100
 C                  0.83762200    1.71827000   -4.97155500
 C                 -0.38602300    1.11157200   -5.15192900
 C                 -0.53308100   -0.27189000   -5.48788000
 C                 -1.83096500   -0.68652500   -4.99933900
 C                 -1.94598800   -1.92057300   -4.37405100
 C                 -2.73285400   -2.02043200   -3.15602900
 C                 -2.68871800   -1.52472700   -0.36444900
 C                 -2.02357500   -2.69726100   -0.90741400
 C                 -2.03967400   -2.94791200   -2.27839200
 C                 -0.83717900   -3.41890400   -2.95004100
 C                 -0.76935400   -2.77620300   -4.24426400
 C                  0.46865900   -2.38016100   -4.77257300
 C                  0.58570400   -1.09055700   -5.42009900
 C                  1.87949800   -0.50528200   -5.09514500
 C                  2.00583800    0.87229900   -4.88525300
 C                 -0.22213400    3.48927200   -1.94114500
 C                  3.49714200    0.76236200   -1.53960200
 C                  2.86244400    1.89775800   -1.01835600
 C                  2.06936800    1.79788700    0.19734500
 C                  1.93372500    0.54911800    0.80064300
 C                  2.60249100   -0.63032200    0.27338800
 C                  3.28884000   -1.57149800   -1.87736700
 C                  3.35121700   -0.93328400   -3.17716800
 C                  3.48185300    0.50581400   -2.96805300
 C                  2.82507100    1.39921400   -3.81290900
 C                  2.15750300    2.58018700   -3.26720900
 C                  2.17391700    2.82761700   -1.89628200
 C                  0.90135500    2.65274700    0.07541300
 C                 -0.34020100    2.24088500    0.58637500
 C                 -0.45735600    0.95606000    1.23003200
 C                  0.65121700    0.14634000    1.28751600
 C                  1.74516500   -1.77039500    0.47311500
 C                  1.65471100   -2.77437900   -0.47083500
 C                  2.44461000   -2.67423700   -1.68071000
 C                  2.56429300   -1.43054000   -4.21999000
 C                  1.69216400   -2.58494000   -4.01632900
 C                  1.63118100   -3.19129200   -2.76430800
 C                  0.34377000   -3.61399400   -2.21555900
 C                  0.36243700   -3.38351900   -0.79428200
 C                 -0.78893400   -2.89193600   -0.16404700
 C                 -0.71534000   -1.86740900    0.83518300
 C                 -1.85492200   -1.00348600    0.70584100
 C                 -1.77198300    0.37879400    0.94370100
 C                  0.96261000    3.29116600   -1.22289200
 C                 -1.57041100    2.45363400   -0.15056500
 C                  3.38468500   -0.52911100   -0.87286400
 C                  0.54274100   -1.32035800    1.18984800
 C                  0.81460700   -1.51691400    3.11326700
 N                  0.39348200   -1.18649100    4.16340500
 K                  0.97233700   -1.96030000    6.88865500
 K                  1.81335000    1.70718600    4.39406300
 N                  2.02504400    0.73644500    7.08192300
 C                 -1.86376800   -1.61499900    7.48713500
 C                 -0.83144600    2.87247600    4.52281500
 C                  1.25769700    1.28742300    7.78870700
 N                 -2.55623600   -0.70966500    7.18281800
 N                 -1.83523300    2.46203800    4.98643900
 K                 -1.61244500    1.95430700    7.83314800
 K                 -2.47389500   -0.25537100    4.33383600

15 61 F

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

K 0
LanL2DZ

solventname=c60
eps=4.08
epsinf=3.83



