%nprocshared=24
%mem=41GB
#p opt=(loose,modredundant,calcfc,ts,noeigentest,maxstep=8) freq b3lyp genecp scrf=(solvent=generic,read,pcm) nosymm empiricaldispersion=gd3 scf=(xqc,maxcyc=1024,conver=6) int(grid=fine)

Loose ts

0 1
 C                 -3.48478700    4.45949900    0.39480100
 C                 -2.70239100    4.04117200   -0.75813500
 C                 -3.32010700    3.79671500   -1.99344900
 C                 -4.75651500    3.93681500   -2.11422100
 C                 -5.50866400    4.33122800   -1.00151900
 C                 -4.86477400    4.60159900    0.27513500
 C                 -2.91610800    3.85108800    1.58765300
 C                 -1.78506800    3.05660900    1.18210200
 C                 -1.65936100    3.16662600   -0.28731200
 C                 -1.28465400    2.08097500   -1.04343200
 C                 -2.91645100    2.65471800   -2.78259500
 C                 -5.23331200    2.87605200   -2.99684200
 C                 -6.44220700    2.24207100   -2.72015200
 C                 -7.20378200    2.64872900   -1.55714100
 C                 -6.76685000    3.67315600   -0.71802400
 C                 -6.91567400    3.55040000    0.72344900
 C                 -5.73644800    4.12272600    1.34110000
 C                 -5.19365800    3.53386200    2.48642300
 C                 -3.75732000    3.40171300    2.61983500
 C                 -1.55104200    1.84144200    1.79490200
 C                 -2.40154700    1.37006200    2.84816700
 C                 -3.49132800    2.13273400    3.26388100
 C                 -4.75634000    1.47733300    3.55698300
 C                 -5.80801200    2.33901100    3.06355500
 C                 -6.94980100    1.79211000    2.47222300
 C                 -7.49577000    2.40457200    1.27659000
 C                 -7.94330700    1.34049500    0.40306200
 C                 -7.73940700    1.45565500   -0.96567000
 C                 -4.09461300    2.07565000   -3.40544200
 C                 -6.03434000   -1.70462900   -1.57688700
 C                 -5.20697900   -1.24285000   -2.60701700
 C                 -3.76985700   -1.36939100   -2.47582100
 C                 -3.21531900   -1.94053600   -1.32013000
 C                 -4.07760500   -2.41390300   -0.24936200
 C                 -6.25276900   -1.90292500    0.75679600
 C                 -7.31143100   -1.03359200    0.28336800
 C                 -7.17014000   -0.91054500   -1.16126200
 C                 -7.40575400    0.31688100   -1.77840900
 C                 -6.56914500    0.79736700   -2.85924100
 C                 -5.47894300    0.02948500   -3.26282100
 C                 -3.16333600   -0.18865700   -3.04964200
 C                 -2.04105500    0.36370800   -2.43113000
 C                 -1.46490500   -0.25799500   -1.27092300
 C                 -2.01876900   -1.39663200   -0.74192300
 C                 -3.43914400   -2.19382300    1.01485600
 C                 -4.18583400   -1.76173300    2.10489200
 C                 -5.62259400   -1.62477800    1.97629600
 C                 -7.69286200    0.06956100    1.04799400
 C                 -7.06015400    0.34858800    2.32618100
 C                 -6.03652400   -0.48540700    2.77695700
 C                 -4.85147000    0.08440300    3.39957400
 C                 -3.71015900   -0.72348900    3.02356400
 C                 -2.51641800   -0.07598900    2.68146300
 C                 -1.67900300   -0.47131300    1.59447400
 C                 -1.04613800    0.66964500    1.05666800
 C                 -0.74256100    0.78359400   -0.44432100
 C                 -4.21349500    0.68601700   -3.54170900
 C                 -1.92135800    1.80574000   -2.29007800
 C                 -5.46872600   -2.31675300   -0.38531200
 C                 -1.97486500   -1.71940100    0.77551400
 C                  3.89433100    3.76737300    2.11788900
 C                  5.33323300    3.81569700    1.98753200
 C                  5.92305400    4.15362900    0.76052600
 C                  5.09145500    4.43419600   -0.39684900
 C                  3.70508200    4.36864800   -0.28093300
 C                  3.08691300    4.02423200    0.99627300
 C                  3.56184400    2.66083900    2.99675200
 C                  4.79507300    2.02224500    3.42910000
 C                  5.89110300    2.74163700    2.80321600
 C                  7.00035600    2.03488700    2.35050400
 C                  7.07428800    3.41301600    0.29131400
 C                  5.74537100    3.88581800   -1.58135800
 C                  4.99169700    3.31072500   -2.60916400
 C                  3.54812200    3.25488100   -2.49240800
 C                  2.92445700    3.76667000   -1.34418800
 C                  1.83629700    3.04805100   -0.73047500
 C                  1.91854500    3.22474800    0.73155400
 C                  1.61906600    2.14478400    1.56350900
 C                  2.44866600    1.86941900    2.72135900
 C                  4.85795600    0.63208800    3.58076800
 C                  3.68954000   -0.18812400    3.30517800
 C                  2.51543000    0.42983500    2.87663200
 C                  1.73293200   -0.15456000    1.80847900
 C                  1.06568400    0.89839900    1.07557300
 C                  0.80523400    0.74476200   -0.43627400
 C                  1.41956300    1.85537700   -1.27502000
 C                  2.06316800    1.30898700   -2.42613600
 C                  3.10533400    1.99934600   -3.05135900
 C                  6.97405800    3.25333700   -1.15464400
 C                  5.55932400   -0.76490300   -2.94370500
 C                  6.68333000    0.01871700   -2.67861600
 C                  7.49728000   -0.27413100   -1.51534600
 C                  7.17416300   -1.33770600   -0.66620400
 C                  6.00868300   -2.14869100   -0.93977000
 C                  3.77129900   -1.91495500   -1.93930000
 C                  3.22412100   -0.84927100   -2.74661200
 C                  4.32667500   -0.12783900   -3.37217800
 C                  4.26852800    1.26027600   -3.51895000
 C                  5.43794700    2.07795100   -3.24677700
 C                  6.62154200    1.46762800   -2.83383100
 C                  7.92466000    0.99131700   -0.95636500
 C                  7.94243500    1.14104000    0.42163100
 C                  7.68106200    0.04026500    1.31125800
 C                  7.27595700   -1.18025100    0.77889100
 C                  6.18889800   -1.90356500    1.40511100
 C                  5.39419700   -2.49170400    0.33959400
 C                  4.00493200   -2.52428000    0.45178100
 C                  3.18061700   -2.22595300   -0.70529400
 C                  2.11629200   -0.13787000   -2.27279600
 C                  1.48459300   -0.48887400   -1.02936100
 C                  2.02152300   -1.49269100   -0.24690700
 C                  2.12006300   -1.35455600    1.22335600
 C                  3.34965600   -1.97894000    1.63825500
 C                  4.12374500   -1.42090000    2.67412000
 C                  5.56296900   -1.36885200    2.54079400
 C                  6.01825100   -0.10330500    3.10793000
 C                  7.06296200    0.58767000    2.50300400
 C                  7.39727400    2.06893300   -1.76652200
 C                  7.58146600    2.37412700    1.06586700
 C                  5.21570600   -1.87057800   -2.05762800
 C                 -1.01725400   -2.81062200    1.04574100
 N                 -0.27007400   -3.67448500    1.25781500
 K                  1.89989100   -5.50767800    1.65005100
 N                 -0.38211900   -7.25442700    2.29849800
 K                 -2.84936200   -5.88653700    1.65174500
 C                 -0.32823800   -8.08902500    1.46609100
 C                 -2.46558300   -5.82848200   -1.22646200
 K                  0.00790200   -8.11371800   -1.45679900
 K                  0.07339500   -3.67986800   -2.59893100
 N                 -1.76825800   -5.80420400   -2.17678200
 C                  2.11743300   -5.57796500   -1.85929500
 N                  2.34843800   -6.37594200   -1.02240700

28 102 F

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

K 0
LanL2DZ

solventname=c60
eps=4.08
epsinf=3.83




