%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                 -3.85537800    4.13210800    1.83202700
 C                 -3.11729100    4.38752100    0.60649800
 C                 -3.81184500    4.61430900   -0.58717500
 C                 -5.26414600    4.57754700   -0.60393800
 C                 -5.96852400    4.32796100    0.57536500
 C                 -5.24965900    4.10747300    1.81997500
 C                 -3.11483400    3.15906700    2.61508800
 C                 -1.91744300    2.80735000    1.88755800
 C                 -1.91656300    3.57671000    0.61899100
 C                 -1.43797300    3.02384900   -0.55338100
 C                 -3.33527900    4.00896300   -1.80769500
 C                 -5.68430700    3.94755600   -1.84553400
 C                 -6.79063600    3.09357200   -1.85485400
 C                 -7.52593900    2.84131300   -0.62841200
 C                 -7.11992900    3.44534300    0.56384200
 C                 -7.12108200    2.68636500    1.80525600
 C                 -5.96708700    3.09573500    2.58188500
 C                 -5.25880800    2.15678000    3.33379600
 C                 -3.80874600    2.19208700    3.35746600
 C                 -1.46479000    1.50374200    1.91225400
 C                 -2.19650100    0.50161300    2.62820100
 C                 -3.33665800    0.82837700    3.36619700
 C                 -4.48734100   -0.06602900    3.37154800
 C                 -5.67546100    0.75950900    3.33492500
 C                 -6.79211700    0.36617500    2.58871500
 C                 -7.51904400    1.34700100    1.80435700
 C                 -7.93315900    0.71625500    0.56095100
 C                 -7.93669900    1.44674800   -0.62843600
 C                 -4.49011100    3.59238900   -2.59058200
 C                 -5.78878600   -0.82735200   -2.58523200
 C                 -5.11069500    0.14809400   -3.31948000
 C                 -3.65962900    0.19478300   -3.28759700
 C                 -2.94033400   -0.72656100   -2.51573500
 C                 -3.64981500   -1.73737000   -1.75135400
 C                 -5.78769000   -2.06046600   -0.58262500
 C                 -6.98547800   -1.24017700   -0.60456400
 C                 -6.98605700   -0.47788800   -1.84510200
 C                 -7.45575300    0.83803100   -1.85699600
 C                 -6.74935900    1.85545600   -2.61608600
 C                 -5.60034700    1.51692400   -3.33490300
 C                 -3.25488300    1.57919600   -3.29212500
 C                 -2.15492100    1.96781300   -2.52236500
 C                 -1.40694700    1.00252400   -1.76472700
 C                 -1.78429800   -0.31666400   -1.76099500
 C                 -2.92916000   -1.98236100   -0.52523700
 C                 -3.64688300   -2.22391800    0.64972500
 C                 -5.10041300   -2.26079000    0.61709600
 C                 -7.45107900   -0.65410000    0.57385200
 C                 -6.74088800   -0.86780600    1.82453900
 C                 -5.58965900   -1.65945700    1.84464000
 C                 -4.43206600   -1.24996200    2.62671600
 C                 -3.23497400   -1.63713800    1.90573100
 C                 -2.15313800   -0.73203600    1.84533400
 C                 -1.36060800   -0.52796000    0.69278600
 C                 -0.72761300    0.85935200    0.75791700
 C                 -0.71197400    1.68348100   -0.59985800
 C                 -4.45002300    2.40563100   -3.32246300
 C                 -2.18784400    3.20879800   -1.76987800
 C                 -5.04720600   -1.80476800   -1.80285900
 C                 -1.64864100   -1.20661000   -0.53958100
 C                 -0.31415800   -2.48814600   -1.06818300
 C                  4.01741900    2.11831400    3.31001000
 C                  5.46370400    1.99555800    3.28236900
 C                  6.21532400    2.85100700    2.47780600
 C                  5.55342000    3.86566400    1.67058600
 C                  4.16533800    3.97480700    1.68730700
 C                  3.37696400    3.08293100    2.51966800
 C                  3.46389300    0.78798800    3.39237100
 C                  4.56212300   -0.16939200    3.41723400
 C                  5.80219600    0.58083000    3.34689900
 C                  6.87923700    0.08032200    2.60933400
 C                  7.32490500    2.32576900    1.70948100
 C                  6.26551800    3.97325200    0.40888900
 C                  5.57752000    4.21641200   -0.77892800
 C                  4.13320800    4.34607600   -0.75761200
 C                  3.43759900    4.21586500    0.45233600
 C                  2.19392900    3.47975500    0.50844900
 C                  2.15554100    2.76696200    1.81121100
 C                  1.61236700    1.50292300    1.91098100
 C                  2.29449900    0.49452700    2.68369700
 C                  4.44741000   -1.38983600    2.74889100
 C                  3.22742400   -1.70690000    2.02610000
 C                  2.18314900   -0.77371200    1.98324900
 C                  1.43839500   -0.54841900    0.77645400
 C                  0.84380400    0.84854900    0.77968800
 C                  0.87278800    1.62143000   -0.61442500
 C                  1.68332100    2.90315200   -0.63690000
 C                  2.42401700    2.99016200   -1.86972500
 C                  3.61585500    3.71541500   -1.94889200
 C                  7.33420500    3.00352200    0.42827200
 C                  5.71897000    1.01741400   -3.36472500
 C                  6.88963600    1.31656400   -2.66683100
 C                  7.54120000    0.29496300   -1.86192100
 C                  6.99660500   -0.98802000   -1.78374400
 C                  5.77791100   -1.29875000   -2.50530700
 C                  3.70423800   -0.18153400   -3.25419600
 C                  3.38016500    1.22404700   -3.32017600
 C                  4.62312700    1.97343000   -3.38822600
 C                  4.73760800    3.19104700   -2.71668600
 C                  5.95416400    3.50349100   -1.99062600
 C                  7.00621200    2.58443100   -1.96636000
 C                  8.06098200    0.92939300   -0.66379400
 C                  8.02731700    0.26097100    0.56146800
 C                  7.46767400   -1.07585700    0.64386000
 C                  6.95891300   -1.68680600   -0.50476000
 C                  5.71808100   -2.43264500   -0.43559400
 C                  4.98487200   -2.18741600   -1.66889900
 C                  3.59840100   -2.03938700   -1.63012500
 C                  2.94241900   -1.02133600   -2.43488700
 C                  2.30767800    1.71975800   -2.56722500
 C                  1.50649800    0.84510500   -1.76137900
 C                  1.83538800   -0.48915500   -1.67724800
 C                  1.79773400   -1.20128600   -0.38115000
 C                  2.89218000   -2.14490200   -0.36749500
 C                  3.59155600   -2.40809300    0.81328800
 C                  5.03460900   -2.54318600    0.78024400
 C                  5.56659200   -1.91036500    1.97825500
 C                  6.75819400   -1.18836300    1.90841200
 C                  7.72271400    2.33916800   -0.73004000
 C                  7.65982400    0.97351900    1.77448700
 C                  5.15009600   -0.31847700   -3.28034100
 N                 -0.09836500   -3.63352900   -1.22866800
 K                  2.10209800   -5.44108400   -1.62460700
 N                  1.91295600   -5.82529400    1.24307800
 C                  0.19787700   -7.39461500   -2.70116400
 K                 -0.02127200   -3.89845700    2.13074500
 C                  1.58970800   -6.95213600    1.37491700
 N                 -0.81924000   -7.63631900   -2.15414800
 C                 -2.29209000   -5.67411200    1.82770500
 K                 -0.78087000   -8.51094700    0.59997700
 K                 -2.53430400   -5.37778300   -1.62396900
 N                 -2.74554500   -6.41579100    1.03078000

61 90 F

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

K 0
LanL2DZ

solventname=c60
eps=4.08
epsinf=3.83


