%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                 -3.66043600    4.47000700    0.33449200
 C                 -2.87567900    4.06724400   -0.82110700
 C                 -3.50956900    3.78730300   -2.03804400
 C                 -4.95514000    3.87557000   -2.13831300
 C                 -5.70785700    4.25401000   -1.02425900
 C                 -5.04861800    4.56305800    0.23464600
 C                 -3.04962000    3.90214300    1.52349000
 C                 -1.88817800    3.14738100    1.11423700
 C                 -1.78174600    3.24408300   -0.35979300
 C                 -1.35554100    2.16977500   -1.11183200
 C                 -3.07598300    2.65162600   -2.81519000
 C                 -5.41309600    2.78961900   -2.99278900
 C                 -6.60532300    2.12497200   -2.69457700
 C                 -7.38772700    2.52289300   -1.53872800
 C                 -6.94749400    3.56462600   -0.71765200
 C                 -7.06426400    3.45820000    0.72657800
 C                 -5.88920800    4.07392700    1.31741300
 C                 -5.30616300    3.52112600    2.45863000
 C                 -3.86271800    3.44022500    2.57087400
 C                 -1.59521700    1.95218300    1.74118400
 C                 -2.43034200    1.46503300    2.80407500
 C                 -3.54244300    2.19173500    3.22568500
 C                 -4.78359500    1.49997400    3.54580100
 C                 -5.87265900    2.31586200    3.05805100
 C                 -7.00802300    1.72609900    2.49099200
 C                 -7.60438900    2.30379300    1.29979400
 C                 -8.05285400    1.21680700    0.44713100
 C                 -7.93924100    1.32370800   -0.94001200
 C                 -4.24972800    2.02856400   -3.40717400
 C                 -6.03657400   -1.77613100   -1.51525400
 C                 -5.23668400   -1.30303600   -2.55876900
 C                 -3.79120400   -1.37760600   -2.44760800
 C                 -3.19695500   -1.91144500   -1.29724500
 C                 -4.03086700   -2.40070700   -0.21224400
 C                 -6.21117500   -1.95615000    0.81805000
 C                 -7.31219800   -1.13256000    0.35045500
 C                 -7.20258200   -1.02183800   -1.09745800
 C                 -7.51456000    0.18366600   -1.72987600
 C                 -6.68574400    0.67838500   -2.81487900
 C                 -5.56599700   -0.05194800   -3.22016700
 C                 -3.23106800   -0.18705900   -3.04050600
 C                 -2.10879700    0.40604800   -2.45254000
 C                 -1.47887500   -0.18114200   -1.29875700
 C                 -2.00450200   -1.32542600   -0.74683500
 C                 -3.37986800   -2.14702600    1.03703100
 C                 -4.12623500   -1.72936100    2.13211300
 C                 -5.57014200   -1.64348400    2.02261300
 C                 -7.72643500   -0.03487800    1.10507500
 C                 -7.07178500    0.28173800    2.36551500
 C                 -6.01106600   -0.50962800    2.81279600
 C                 -4.83415500    0.10523000    3.40794800
 C                 -3.66932400   -0.66659700    3.02624800
 C                 -2.49993400    0.01513700    2.65446900
 C                 -1.65584800   -0.36527600    1.56925800
 C                 -1.03797500    0.78726400    1.01681100
 C                 -0.74723100    0.89437200   -0.49999300
 C                 -4.32395600    0.63917500   -3.52462700
 C                 -2.03039100    1.85230200   -2.33518200
 C                 -5.42858700   -2.35344000   -0.32812300
 C                 -1.93115900   -1.63267100    0.77142300
 C                  4.03261800    3.75103100    2.13979700
 C                  5.47674400    3.75402100    2.02653700
 C                  6.09296200    4.08099700    0.81379100
 C                  5.27780900    4.40063000   -0.34499200
 C                  3.88636000    4.37866400   -0.24602800
 C                  3.24110100    4.04334100    1.01701000
 C                  3.65523100    2.64784800    2.99856300
 C                  4.86693900    1.96843600    3.43369000
 C                  5.99546400    2.65503500    2.82973200
 C                  7.09724200    1.92379700    2.38516400
 C                  7.23598700    3.31657100    0.35278900
 C                  5.92960600    3.85052800   -1.52555300
 C                  5.16514600    3.31450200   -2.56435300
 C                  3.71728100    3.30306900   -2.46498300
 C                  3.09249800    3.81834200   -1.32187300
 C                  1.96175100    3.13507900   -0.73383600
 C                  2.04237500    3.29115400    0.73213800
 C                  1.68940300    2.21638200    1.54877600
 C                  2.51466000    1.90050000    2.70296100
 C                  4.88482500    0.57898300    3.56987100
 C                  3.69029400   -0.19673600    3.27425700
 C                  2.53633600    0.45981400    2.84047400
 C                  1.73452500   -0.08561700    1.76455100
 C                  1.07601000    0.99412600    1.04426300
 C                  0.81969300    0.86239500   -0.48432000
 C                  1.48973200    1.97006000   -1.30271600
 C                  2.15606900    1.41325100   -2.44434100
 C                  3.23791200    2.07061700   -3.04205500
 C                  7.13977800    3.17874500   -1.09422600
 C                  5.61118400   -0.76092900   -2.93993800
 C                  6.75900500   -0.01943400   -2.65160100
 C                  7.56279700   -0.35063500   -1.48855100
 C                  7.19120300   -1.41166400   -0.65823700
 C                  5.99756000   -2.17816100   -0.95393500
 C                  3.77460200   -1.86308300   -1.97278600
 C                  3.26702700   -0.77233300   -2.77088200
 C                  4.40148500   -0.08371400   -3.37447400
 C                  4.38685500    1.30439100   -3.50398600
 C                  5.58080200    2.07757800   -3.20837900
 C                  6.74363800    1.42862600   -2.78955100
 C                  8.04579600    0.89067200   -0.91055800
 C                  8.12436000    1.02350900    0.47589700
 C                  7.75401200   -0.07950200    1.34216800
 C                  7.28868600   -1.27285100    0.78832400
 C                  6.16188500   -1.96151900    1.38903500
 C                  5.35649400   -2.51225500    0.31153700
 C                  3.96409000   -2.50198800    0.40766500
 C                  3.15863400   -2.16652600   -0.75199000
 C                  2.16871100   -0.03547300   -2.30603100
 C                  1.50090700   -0.38161100   -1.07831100
 C                  2.01170400   -1.40565600   -0.30067700
 C                  2.10192700   -1.28613200    1.17043900
 C                  3.31094900   -1.95191300    1.59033900
 C                  4.09369100   -1.43317900    2.63731200
 C                  5.53818300   -1.42515600    2.52153100
 C                  6.03034200   -0.18333400    3.10310600
 C                  7.11366400    0.47581500    2.52251300
 C                  7.53836800    1.99058600   -1.71188600
 C                  7.72854200    2.26091600    1.12092000
 C                  5.22265400   -1.86417800   -2.07378700
 C                 -0.96053300   -2.71318900    1.03821100
 N                 -0.22115800   -3.58524100    1.24371900
 K                  1.85555400   -5.48502100    1.67845900
 N                 -0.49899400   -7.15811300    2.31024500
 K                 -2.92694400   -5.74048300    1.56339800
 C                 -0.44147700   -7.97841100    1.46404800
 C                 -2.47223400   -5.74847800   -1.30104900
 K                 -0.04331300   -8.04949900   -1.44698000
 K                  0.11246000   -3.61188500   -2.61675000
 N                 -1.77223300   -5.69279400   -2.24790700
 C                  2.09205200   -5.55276100   -1.81115700
 N                  2.34866800   -6.35643200   -0.98730800

28 102 F

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

K 0
LanL2DZ

solventname=c60
eps=4.08
epsinf=3.83




