%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                 -3.68469800    4.47033200    0.32801400
 C                 -2.90027600    4.06965500   -0.82835800
 C                 -3.53700900    3.78581300   -2.04249600
 C                 -4.98374300    3.86779200   -2.13925500
 C                 -5.73596500    4.24384200   -1.02467900
 C                 -5.07390500    4.55730700    0.23153200
 C                 -3.06791900    3.90731900    1.51587700
 C                 -1.90289500    3.15770300    1.10529600
 C                 -1.79975300    3.25290200   -0.36929100
 C                 -1.36676900    2.18064300   -1.12150600
 C                 -3.10014200    2.65124500   -2.81854100
 C                 -5.44007700    2.77910000   -2.98993400
 C                 -6.63038200    2.11095000   -2.68861500
 C                 -7.41582600    2.50766400   -1.53371900
 C                 -6.97349200    3.55091500   -0.71480600
 C                 -7.08505500    3.44625700    0.72975100
 C                 -5.91003500    4.06703200    1.31668000
 C                 -5.32125600    3.51859300    2.45674300
 C                 -3.87692100    3.44394300    2.56547800
 C                 -1.60175700    1.96520300    1.73353000
 C                 -2.43490600    1.47588800    2.79759000
 C                 -3.54950200    2.19795200    3.22088900
 C                 -4.78750100    1.50183100    3.54474200
 C                 -5.88149300    2.31208200    3.05876500
 C                 -7.01635200    1.71735000    2.49520600
 C                 -7.62017000    2.29091100    1.30538100
 C                 -8.07003600    1.20151800    0.45519600
 C                 -7.97203100    1.30763500   -0.93470900
 C                 -4.27388900    2.02322700   -3.40595800
 C                 -6.04065000   -1.78373300   -1.50676600
 C                 -5.24473600   -1.30942200   -2.55218500
 C                 -3.79819300   -1.37770200   -2.44446600
 C                 -3.19825400   -1.90695700   -1.29538900
 C                 -4.02803200   -2.39834900   -0.20843300
 C                 -6.20818300   -1.96225800    0.82628500
 C                 -7.31447000   -1.14410800    0.36035900
 C                 -7.21023500   -1.03463600   -1.08787600
 C                 -7.53336500    0.16777700   -1.72164800
 C                 -6.70510200    0.66442400   -2.80689800
 C                 -5.58172100   -0.06094400   -3.21328100
 C                 -3.24407700   -0.18597100   -3.03949800
 C                 -2.12113300    0.41166900   -2.45611800
 C                 -1.48298100   -0.17156800   -1.30411800
 C                 -2.00584800   -1.31607500   -0.74915300
 C                 -3.37454600   -2.14109300    1.03848900
 C                 -4.12032000   -1.72561900    2.13467200
 C                 -5.56502400   -1.64582800    2.02853300
 C                 -7.73294300   -0.04764900    1.11422300
 C                 -7.07444000    0.27316500    2.37188200
 C                 -6.00889600   -0.51292700    2.81789600
 C                 -4.83265700    0.10710400    3.40905700
 C                 -3.66514200   -0.65994500    3.02547000
 C                 -2.49888200    0.02573500    2.64983400
 C                 -1.65396900   -0.35263000    1.56451500
 C                 -1.03709600    0.80132600    1.01060000
 C                 -0.74859300    0.90779400   -0.50892700
 C                 -4.34269400    0.63418300   -3.52140400
 C                 -2.04781400    1.85820900   -2.34123500
 C                 -5.42653500   -2.35710700   -0.32090700
 C                 -1.92774400   -1.62208500    0.76910000
 C                  4.05096900    3.75183200    2.13777100
 C                  5.49576800    3.74888700    2.02744400
 C                  6.11592800    4.07197300    0.81634900
 C                  5.30340900    4.39444900   -0.34347700
 C                  3.91135800    4.37805500   -0.24733100
 C                  3.26199200    4.04634300    1.01406300
 C                  3.66750700    2.65070500    2.99555900
 C                  4.87642400    1.96722000    3.43270900
 C                  6.00935500    2.64838300    2.83097500
 C                  7.11078400    1.91353400    2.38940600
 C                  7.25834700    3.30392500    0.35849500
 C                  5.95562800    3.84207100   -1.52209900
 C                  5.19041300    3.30932000   -2.56167900
 C                  3.74197200    3.30353900   -2.46520500
 C                  3.11637500    3.82111300   -1.32402000
 C                  1.98000600    3.14350900   -0.73869500
 C                  2.05956300    3.29972300    0.72750400
 C                  1.69890900    2.22741700    1.54392800
 C                  2.52357600    1.90855200    2.69833300
 C                  4.88867500    0.57831800    3.56937900
 C                  3.69099500   -0.19214000    3.27218000
 C                  2.53959500    0.46813100    2.83609700
 C                  1.73535800   -0.07428300    1.76010200
 C                  1.07694100    1.00746200    1.03948900
 C                  0.82194600    0.87593800   -0.49182500
 C                  1.50081200    1.98135900   -1.30895000
 C                  2.17106600    1.42108900   -2.44778500
 C                  3.25833700    2.07305900   -3.04246900
 C                  7.16334400    3.16636800   -1.08836600
 C                  5.62158000   -0.76604300   -2.93449700
 C                  6.77226600   -0.02948200   -2.64407800
 C                  7.57462900   -0.36326900   -1.48029300
 C                  7.19628000   -1.42222100   -0.65076500
 C                  5.99912700   -2.18351400   -0.94841200
 C                  3.77832400   -1.86031100   -1.97118300
 C                  3.27612900   -0.76808200   -2.77027900
 C                  4.41497000   -0.08486100   -3.37168000
 C                  4.40584300    1.30280200   -3.50165500
 C                  5.60267300    2.07077300   -3.20388800
 C                  6.76275100    1.41797400   -2.78248600
 C                  8.06492100    0.87578400   -0.90179600
 C                  8.15382100    1.00885500    0.48577400
 C                  7.76621400   -0.09257300    1.35033500
 C                  7.29281600   -1.28308100    0.79569800
 C                  6.16038900   -1.96599400    1.39366100
 C                  5.35407100   -2.51389000    0.31543600
 C                  3.96122300   -2.49821800    0.40879600
 C                  3.15852700   -2.16039300   -0.75202300
 C                  2.17834900   -0.02753700   -2.30886900
 C                  1.50444800   -0.37092900   -1.08311700
 C                  2.01257700   -1.39553500   -0.30376100
 C                  2.10112800   -1.27571800    1.16723300
 C                  3.30764500   -1.94548200    1.58948500
 C                  4.09095000   -1.43009100    2.63718600
 C                  5.53618400   -1.42772700    2.52436800
 C                  6.03271200   -0.18796400    3.10545500
 C                  7.12142000    0.46590200    2.52742900
 C                  7.55963500    1.97682200   -1.70432900
 C                  7.75007900    2.24804600    1.12796100
 C                  5.22690400   -1.86722000   -2.06922300
 C                 -0.95494400   -2.70168800    1.03252200
 N                 -0.21664100   -3.57560900    1.23396100
 K                  1.85885800   -5.48119000    1.68023100
 N                 -0.50208800   -7.13722300    2.29522200
 K                 -2.92811200   -5.72838300    1.54759300
 C                 -0.44626500   -7.96597400    1.45715700
 C                 -2.47818700   -5.72596200   -1.31366800
 K                 -0.04685900   -8.03219600   -1.45730000
 K                  0.10812100   -3.59991400   -2.61960300
 N                 -1.77195000   -5.69241200   -2.25702100
 C                  2.09770800   -5.53538300   -1.81988000
 N                  2.33767400   -6.34256100   -0.99441600

36 71 F

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

K 0
LanL2DZ

solventname=c60
eps=4.08
epsinf=3.83


