%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                 -3.21890500    0.39888800   -3.37503500
 C                 -3.08619600    1.45950800   -2.39323300
 C                 -2.28909700    2.57744300   -2.62291900
 C                 -1.51988700    2.64842700   -3.84952800
 C                 -1.61311500    1.61618400   -4.79015500
 C                 -2.48372100    0.47185800   -4.55209400
 C                 -3.33901800   -0.86296900   -2.65863200
 C                 -3.27615900   -0.57229600   -1.23953600
 C                 -3.06535200    0.84006900   -1.10108200
 C                 -2.37846800    1.37829900   -0.02428700
 C                 -1.48362100    3.11067000   -1.53736500
 C                 -0.23012300    3.23650200   -3.52255400
 C                  0.91952200    2.76785000   -4.15572200
 C                  0.82414900    1.69446000   -5.13724200
 C                 -0.41532400    1.12637200   -5.44536300
 C                 -0.54972000   -0.31537300   -5.61363500
 C                 -1.82753800   -0.72407900   -5.05699600
 C                 -1.94245100   -1.93718400   -4.36807500
 C                 -2.71848700   -2.01015300   -3.14138700
 C                 -2.65363900   -1.43623400   -0.34543400
 C                 -2.01112100   -2.62756800   -0.84512100
 C                 -2.03681100   -2.90818400   -2.21754100
 C                 -0.84726800   -3.40375000   -2.87538600
 C                 -0.78296300   -2.79857800   -4.19808500
 C                  0.44185600   -2.40949900   -4.74016100
 C                  0.56009300   -1.14313100   -5.45506600
 C                  1.84220300   -0.54996900   -5.12285100
 C                  1.97757900    0.83306500   -4.96880800
 C                 -0.20717400    3.51917300   -2.09424500
 C                  3.45795300    0.80694800   -1.56767000
 C                  2.83961700    1.95366100   -1.08591500
 C                  2.06043900    1.88108000    0.14301600
 C                  1.92749600    0.65850200    0.81975300
 C                  2.58380900   -0.53946200    0.31886200
 C                  3.20510100   -1.51428500   -1.82472200
 C                  3.17761300   -0.89510900   -3.11943300
 C                  3.39886200    0.51841900   -2.98573800
 C                  2.78129500    1.37990800   -3.88672700
 C                  2.13596300    2.57667100   -3.38432600
 C                  2.16002000    2.85033900   -2.01083600
 C                  0.90433200    2.73693900   -0.02356400
 C                 -0.32258600    2.33798400    0.50788500
 C                 -0.44323500    1.07570700    1.22715600
 C                  0.66505600    0.25882600    1.39370500
 C                  1.73816400   -1.68562200    0.57756400
 C                  1.63018600   -2.70066300   -0.36819000
 C                  2.39345800   -2.62149200   -1.59656500
 C                  2.49120800   -1.44113300   -4.18699700
 C                  1.64526400   -2.59387600   -3.95318900
 C                  1.59424300   -3.16584700   -2.67886200
 C                  0.32048000   -3.58227300   -2.11741000
 C                  0.34553800   -3.32321700   -0.69120300
 C                 -0.79205200   -2.80824400   -0.06675500
 C                 -0.71060000   -1.76665600    0.93366000
 C                 -1.83301500   -0.89301900    0.73476200
 C                 -1.74670000    0.49657300    0.92795800
 C                  0.96238000    3.33685100   -1.35085900
 C                 -1.53014100    2.53022900   -0.26568500
 C                  3.33727400   -0.45895800   -0.84971700
 C                  0.56000300   -1.24195400    1.38437200
 C                  0.84662900   -1.67137000    3.26735200
 N                  0.53107300   -1.48930400    4.38543100
 K                  1.01161200   -2.08723400    7.16077200
 K                  1.87747300    1.54464100    4.53364600
 N                  2.00341800    0.63324400    7.24874900
 C                 -1.84379200   -1.72288500    7.63110600
 C                 -0.81957900    2.57291000    4.59909900
 C                  1.22049100    1.20287900    7.92294200
 N                 -2.57148200   -0.86764300    7.26950200
 N                 -1.86070200    2.25437000    5.05219200
 K                 -1.66222600    1.82084900    7.90724000
 K                 -2.40057200   -0.50190200    4.41618900

9 36 F

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

K 0
LanL2DZ

solventname=c60
eps=4.08
epsinf=3.83



