%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                 -3.82727600    4.12227300    1.83105900
 C                 -3.09155800    4.37486400    0.60359700
 C                 -3.78805700    4.60992800   -0.58740900
 C                 -5.24063600    4.58474000   -0.59939000
 C                 -5.94298200    4.33798200    0.58182100
 C                 -5.22175200    4.10876400    1.82359100
 C                 -3.09177100    3.14115200    2.60902700
 C                 -1.90005500    2.78126900    1.87627800
 C                 -1.89780100    3.55425700    0.61010600
 C                 -1.42925700    2.99945200   -0.56492800
 C                 -3.32047600    4.00347600   -1.81091100
 C                 -5.66991700    3.96104700   -1.84110000
 C                 -6.78286200    3.11573600   -1.84860700
 C                 -7.51617600    2.86652300   -0.62032800
 C                 -7.10132500    3.46439300    0.57205900
 C                 -7.10446700    2.70252000    1.81174500
 C                 -5.94456000    3.10075500    2.58543500
 C                 -5.24115500    2.15436300    3.33268400
 C                 -3.79073500    2.17790400    3.35137500
 C                 -1.45744500    1.47415000    1.89608800
 C                 -2.19417000    0.47640800    2.61259100
 C                 -3.32932300    0.81055400    3.35512100
 C                 -4.48722000   -0.07450200    3.36282100
 C                 -5.66887600    0.76044300    3.33195900
 C                 -6.79133400    0.37786700    2.58870400
 C                 -7.51295700    1.36629200    1.80899700
 C                 -7.93617900    0.74189800    0.56544900
 C                 -7.93783900    1.47522500   -0.62224200
 C                 -4.48100100    3.59809800   -2.59092500
 C                 -5.81462400   -0.81122000   -2.59161700
 C                 -5.13095800    0.16051900   -3.32566700
 C                 -3.67935000    0.19557900   -3.29842200
 C                 -2.96453000   -0.73302500   -2.53128100
 C                 -3.68033800   -1.73984700   -1.76699200
 C                 -5.81669700   -2.04886300   -0.59188900
 C                 -7.00810900   -1.21923100   -0.60791800
 C                 -7.00663800   -0.45398900   -1.84665000
 C                 -7.46576400    0.86563900   -1.85383600
 C                 -6.75379500    1.87918800   -2.61291200
 C                 -5.60965400    1.53317600   -3.33607600
 C                 -3.26345600    1.57669100   -3.30099500
 C                 -2.15745800    1.95436600   -2.53456300
 C                 -1.41229100    0.98147500   -1.78255800
 C                 -1.80174500   -0.33450700   -1.77983500
 C                 -2.95879700   -1.99219200   -0.54373100
 C                 -3.67359700   -2.23136600    0.63331100
 C                 -5.12727900   -2.25728900    0.60524700
 C                 -7.46506500   -0.63230600    0.57351300
 C                 -6.75248300   -0.85463000    1.82145900
 C                 -5.60744000   -1.65527600    1.83584100
 C                 -4.44362600   -1.25676800    2.61469100
 C                 -3.25215200   -1.65146900    1.88885700
 C                 -2.16256100   -0.75574500    1.82679300
 C                 -1.37200600   -0.55527200    0.67213900
 C                 -0.72734900    0.82633300    0.73808900
 C                 -0.71085900    1.65591600   -0.61679600
 C                 -4.45225000    2.41262700   -3.32538500
 C                 -2.17966700    3.19359900   -1.77883200
 C                 -5.07839900   -1.79638600   -1.81412000
 C                 -1.67153700   -1.22799100   -0.56081800
 C                 -0.35689200   -2.53445700   -1.07798100
 C                  4.00070200    2.09314400    3.31181200
 C                  5.44806500    1.98334800    3.28888700
 C                  6.19642900    2.85226500    2.49517200
 C                  5.52919400    3.86772200    1.69362700
 C                  4.13972500    3.96370500    1.70527800
 C                  3.35540800    3.05839300    2.52666800
 C                  3.45767800    0.75763900    3.38097200
 C                  4.56380900   -0.19046700    3.40237900
 C                  5.79787900    0.57118300    3.34351200
 C                  6.88191900    0.08657000    2.60611900
 C                  7.31532600    2.34446200    1.72803500
 C                  6.24719000    3.99379300    0.43658200
 C                  5.55999400    4.23859600   -0.75181000
 C                  4.11412600    4.35430000   -0.73555300
 C                  3.41447500    4.20828900    0.46974800
 C                  2.17696900    3.46078600    0.51441800
 C                  2.13954900    2.73749800    1.81084700
 C                  1.60671000    1.46824500    1.89754000
 C                  2.29378600    0.45991400    2.66504600
 C                  4.46194800   -1.40605400    2.72349400
 C                  3.24728100   -1.72766300    1.99284100
 C                  2.19535400   -0.80313500    1.95354200
 C                  1.45301600   -0.57458500    0.74535300
 C                  0.84587300    0.81660300    0.75894800
 C                  0.87394200    1.60008500   -0.62957200
 C                  1.67539700    2.88879700   -0.63715600
 C                  2.42029000    2.99275800   -1.86573100
 C                  3.60647100    3.72885000   -1.93359500
 C                  7.32928300    3.03713700    0.45354700
 C                  5.73770500    1.06232300   -3.36289300
 C                  6.90295900    1.36610800   -2.65767700
 C                  7.55979000    0.34384000   -1.85867300
 C                  7.02529300   -0.94422100   -1.79353500
 C                  5.81237300   -1.25971300   -2.52255100
 C                  3.73238800   -0.15524400   -3.27118300
 C                  3.39687300    1.24795700   -3.32663600
 C                  4.63384700    2.00878300   -3.38336100
 C                  4.73560900    3.22123600   -2.70099300
 C                  5.94692100    3.53884400   -1.96769300
 C                  7.00704900    2.62936600   -1.94645800
 C                  8.07037000    0.97323200   -0.65367000
 C                  8.03704500    0.29396200    0.56546400
 C                  7.48780300   -1.04829300    0.63431600
 C                  6.98831500   -1.65404700   -0.52097700
 C                  5.75351200   -2.41106800   -0.46327500
 C                  5.02301400   -2.16197100   -1.69748900
 C                  3.63507100   -2.02792800   -1.66446000
 C                  2.97334800   -1.00906200   -2.46349300
 C                  2.31664700    1.72770700   -2.57468600
 C                  1.51802400    0.83903500   -1.78081900
 C                  1.85632100   -0.49408000   -1.70719700
 C                  1.82225400   -1.21536800   -0.41561000
 C                  2.92348200   -2.15116700   -0.40549700
 C                  3.62125300   -2.41720700    0.77658100
 C                  5.06628400   -2.53829600    0.74846600
 C                  5.58836200   -1.91032000    1.95335800
 C                  6.77415600   -1.17732800    1.89453900
 C                  7.72245800    2.38152800   -0.70945300
 C                  7.65915000    0.99367500    1.78259800
 C                  5.17954700   -0.27891100   -3.29225700
 N                 -0.11817600   -3.68402600   -1.15028100
 K                  2.06835400   -5.51630100   -1.55822700
 N                  1.92065100   -5.87854900    1.30035200
 C                  0.14386700   -7.44020800   -2.64399000
 K                  0.00365000   -3.90732600    2.14258200
 C                  1.56091800   -6.99317500    1.44120100
 N                 -0.86277000   -7.66893700   -2.07255300
 C                 -2.30270300   -5.65542200    1.88017700
 K                 -0.83074600   -8.53069500    0.68572100
 K                 -2.56957300   -5.40201500   -1.56620900
 N                 -2.76303100   -6.41348200    1.10276400

61 90 F

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

K 0
LanL2DZ

solventname=c60
eps=4.08
epsinf=3.83


