%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                 -3.69759300    4.09376300    1.82595500
 C                 -2.97054700    4.32662100    0.58493700
 C                 -3.65917200    4.58693600   -0.61170100
 C                 -5.10644200    4.58498100   -0.61857100
 C                 -5.77752500    4.31357100    0.56701700
 C                 -5.08587000    4.10351700    1.82222300
 C                 -2.99630300    3.08808700    2.60464100
 C                 -1.82547900    2.69479900    1.85787400
 C                 -1.80980100    3.46780500    0.58534100
 C                 -1.37599300    2.90478000   -0.59822400
 C                 -3.22618200    3.97353800   -1.84481700
 C                 -5.57353600    3.98173800   -1.85928100
 C                 -6.70668500    3.15965500   -1.86629000
 C                 -7.40897800    2.89950300   -0.63168700
 C                 -6.87241200    3.39319100    0.53910300
 C                 -6.97962000    2.71878900    1.79928500
 C                 -5.83678900    3.11590200    2.58934500
 C                 -5.17374700    2.15728000    3.34622600
 C                 -3.72251200    2.14440700    3.35548000
 C                 -1.42483500    1.37745600    1.88209900
 C                 -2.18692600    0.40029800    2.61146800
 C                 -3.31065900    0.76248800    3.35711900
 C                 -4.49899700   -0.08889000    3.36767200
 C                 -5.65429900    0.77603300    3.34094600
 C                 -6.79546500    0.41727100    2.60316400
 C                 -7.47443100    1.41950400    1.81279200
 C                 -7.93292000    0.81869300    0.56774500
 C                 -7.91171000    1.54486200   -0.62776300
 C                 -4.40571500    3.59799800   -2.62064400
 C                 -5.90116900   -0.78084500   -2.61908500
 C                 -5.18524600    0.17504500   -3.35670400
 C                 -3.73322800    0.17833300   -3.34077600
 C                 -3.06024400   -0.75680500   -2.55613100
 C                 -3.80820300   -1.73435800   -1.78680200
 C                 -5.93142600   -2.02291300   -0.60438600
 C                 -7.09431900   -1.16070800   -0.61608800
 C                 -7.07680100   -0.39660500   -1.86267400
 C                 -7.48644400    0.93560900   -1.87178800
 C                 -6.74287500    1.93292000   -2.63756700
 C                 -5.61353000    1.56298600   -3.36735900
 C                 -3.26360900    1.54647300   -3.34457900
 C                 -2.13737900    1.89855200   -2.58590300
 C                 -1.42580200    0.90963800   -1.82564000
 C                 -1.90807600   -0.36557900   -1.79565500
 C                 -3.12514400   -1.95560100   -0.55032000
 C                 -3.79877100   -2.24003600    0.62254900
 C                 -5.24569300   -2.24879300    0.59940100
 C                 -7.51837700   -0.56742200    0.57711700
 C                 -6.80923400   -0.81239100    1.83021100
 C                 -5.68912300   -1.64124300    1.84005000
 C                 -4.50555500   -1.26978700    2.61379900
 C                 -3.33324600   -1.68383500    1.87825300
 C                 -2.21632500   -0.82247000    1.82002700
 C                 -1.43658200   -0.62125600    0.65347200
 C                 -0.72493900    0.71716000    0.71123200
 C                 -0.69967200    1.54660700   -0.65123800
 C                 -4.42686500    2.41221000   -3.35898500
 C                 -2.11373300    3.13080900   -1.81800200
 C                 -5.20038000   -1.78511500   -1.83676500
 C                 -1.86252300   -1.19603600   -0.56160100
 C                 -0.78537500   -2.65265100   -1.21011300
 C                  3.95916700    2.08403200    3.30738500
 C                  5.40995600    2.02785800    3.29886400
 C                  6.13916200    2.92601100    2.51701500
 C                  5.44532500    3.91841100    1.71114200
 C                  4.05145500    3.96107100    1.70868500
 C                  3.28925800    3.02662300    2.51836700
 C                  3.45944600    0.73105200    3.36870300
 C                  4.59802200   -0.17616300    3.39970500
 C                  5.80628600    0.62946300    3.35613400
 C                  6.91311500    0.18742400    2.62837500
 C                  7.29071000    2.46712700    1.76480500
 C                  6.17803200    4.08112600    0.46519100
 C                  5.48663600    4.29504200   -0.72877900
 C                  4.03597500    4.35477900   -0.72722700
 C                  3.32880300    4.18223600    0.46862300
 C                  2.11776300    3.39078200    0.49942500
 C                  2.09183800    2.66272200    1.79107900
 C                  1.59949400    1.37584800    1.86912500
 C                  2.31262500    0.39219400    2.64213400
 C                  4.54391300   -1.39210600    2.71874200
 C                  3.34728000   -1.75488000    1.97418900
 C                  2.25855200   -0.87411900    1.92952900
 C                  1.51360300   -0.67286500    0.71444200
 C                  0.85911500    0.69869000    0.72667800
 C                  0.88341300    1.48779600   -0.66081700
 C                  1.65099900    2.79877800   -0.65541500
 C                  2.39992700    2.93393100   -1.87589000
 C                  3.56030400    3.71305200   -1.92963200
 C                  7.31512500    3.18164800    0.49616800
 C                  5.79297500    1.13083400   -3.34122400
 C                  6.94025400    1.47577000   -2.62410300
 C                  7.62377600    0.47673300   -1.82122100
 C                  7.13227900   -0.82923000   -1.76485800
 C                  5.93832500   -1.18727700   -2.50569200
 C                  3.82874700   -0.15912600   -3.27335900
 C                  3.44619500    1.23158600   -3.32941500
 C                  4.65718100    2.03658300   -3.37188600
 C                  4.71293400    3.24969200   -2.68676500
 C                  5.90677000    3.61096700   -1.94189700
 C                  6.99907900    2.74198600   -1.91075000
 C                  8.10519000    1.12359700   -0.61217600
 C                  8.08210100    0.43929400    0.60369200
 C                  7.57647200   -0.92193200    0.66373000
 C                  7.10800800   -1.54331900   -0.49585400
 C                  5.89934400   -2.34332800   -0.45211700
 C                  5.17098800   -2.11819000   -1.69216800
 C                  3.77787600   -2.04000400   -1.67594100
 C                  3.08809300   -1.04302100   -2.47902700
 C                  2.34166200    1.66881000   -2.58898900
 C                  1.55784400    0.74943400   -1.80989300
 C                  1.93731000   -0.57490200   -1.73669600
 C                  1.91742300   -1.30050000   -0.44402600
 C                  3.05406400   -2.19560600   -0.42477400
 C                  3.75542400   -2.43110400    0.76432700
 C                  5.20529700   -2.49827600    0.75073300
 C                  5.69468600   -1.85354900    1.96014500
 C                  6.85497100   -1.07853200    1.91476000
 C                  7.71796900    2.52354900   -0.66777700
 C                  7.67075200    1.12453500    1.81761900
 C                  5.27972100   -0.22895000   -3.27977600
 N                 -0.48708600   -3.78511300   -1.08700200
 K                  1.79122100   -5.44963600   -1.67606000
 N                  1.85312600   -5.85164500    1.18435200
 C                 -0.14047400   -7.46988700   -2.55937200
 K                 -0.08540800   -3.93557700    2.05371100
 C                  1.57713900   -6.98126700    1.38328400
 N                 -1.11479500   -7.74913200   -1.95538600
 C                 -2.34990300   -5.75881200    2.12394500
 K                 -0.82812500   -8.56589300    0.80941800
 K                 -2.89110400   -5.56787300   -1.32762400
 N                 -2.83365300   -6.51919100    1.36296400

15 61 F

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

K 0
LanL2DZ

solventname=c60
eps=4.08
epsinf=3.83




