%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                 -3.45036500    4.45490700    0.40436000
 C                 -2.66863400    4.03204100   -0.74755400
 C                 -3.28318000    3.79390200   -1.98610400
 C                 -4.71753600    3.94481500   -2.11099400
 C                 -5.46949600    4.34360000   -0.99904600
 C                 -4.82852200    4.60722300    0.28068300
 C                 -2.89028300    3.83969400    1.59834500
 C                 -1.76550800    3.03667900    1.19426000
 C                 -1.63625700    3.14758000   -0.27424500
 C                 -1.27160200    2.05936500   -1.03029800
 C                 -2.88581800    2.64993000   -2.77644100
 C                 -5.19849800    2.88856500   -2.99797800
 C                 -6.41120300    2.26172800   -2.72507300
 C                 -7.16937500    2.67152000   -1.56142100
 C                 -6.73187600    3.69293400   -0.71967100
 C                 -6.88683200    3.56843200    0.72128600
 C                 -5.70650800    4.13205600    1.34364900
 C                 -5.17194300    3.53707000    2.49008200
 C                 -3.73725200    3.39433800    2.62777300
 C                 -1.54290500    1.81854100    1.80542600
 C                 -2.39730800    1.35173300    2.85676400
 C                 -3.48240300    2.12210300    3.27062400
 C                 -4.75235900    1.47491600    3.55890200
 C                 -5.79619700    2.34533900    3.06372000
 C                 -6.93943500    1.80706200    2.46813200
 C                 -7.47550600    2.42532700    1.27132200
 C                 -7.92398500    1.36530600    0.39460400
 C                 -7.70487700    1.48048700   -0.97078600
 C                 -4.06504800    2.07972400   -3.40470100
 C                 -6.03629800   -1.69192000   -1.58577800
 C                 -5.20327400   -1.23397000   -2.61348900
 C                 -3.76800100   -1.37125000   -2.47823500
 C                 -3.22152600   -1.94866300   -1.32123700
 C                 -4.08951900   -2.41743400   -0.25296800
 C                 -6.26344600   -1.89154100    0.74779600
 C                 -7.31343600   -1.01343600    0.27256300
 C                 -7.16599400   -0.88938700   -1.17138600
 C                 -7.38684600    0.34138800   -1.78645300
 C                 -6.54777800    0.81761000   -2.86649700
 C                 -5.46353200    0.04172500   -3.26900100
 C                 -3.15185000   -0.19358100   -3.04919900
 C                 -2.02916600    0.35050300   -2.42548200
 C                 -1.46311200   -0.27705900   -1.26386700
 C                 -2.02390600   -1.41324000   -0.73818100
 C                 -3.45332400   -2.20333800    1.01393200
 C                 -4.20014900   -1.76689000    2.10232600
 C                 -5.63534100   -1.61942400    1.96985200
 C                 -7.68833400    0.09142500    1.03807800
 C                 -7.05953600    0.36398900    2.31928000
 C                 -6.04363100   -0.47825400    2.77150500
 C                 -4.85682500    0.08255400    3.39890500
 C                 -3.72048500   -0.73305700    3.02471000
 C                 -2.52164400   -0.09335700    2.68785300
 C                 -1.68509400   -0.49289700    1.60145700
 C                 -1.04690600    0.64469400    1.06594800
 C                 -0.74129600    0.75832700   -0.43280700
 C                 -4.19324300    0.69031300   -3.54335700
 C                 -1.90107400    1.79149900   -2.28094500
 C                 -5.47920600   -2.30985400   -0.39298600
 C                 -1.98580700   -1.73760800    0.77935100
 C                  3.86724200    3.76995600    2.11374100
 C                  5.30498400    3.82890000    1.97996500
 C                  5.88916400    4.16937700    0.75027100
 C                  5.05389600    4.44122600   -0.40658500
 C                  3.66873400    4.36547700   -0.28719700
 C                  3.05632900    4.01873400    0.99267600
 C                  3.54492300    2.66261100    2.99633100
 C                  4.78315900    2.03373500    3.42785300
 C                  5.87191100    2.76061100    2.79778100
 C                  6.98377100    2.06019700    2.34346700
 C                  7.04323200    3.43520000    0.27944300
 C                  5.70883200    3.89411000   -1.59185800
 C                  4.95791000    3.31052800   -2.61729600
 C                  3.51538700    3.24427300   -2.49706500
 C                  2.89148500    3.75443600   -1.34778800
 C                  1.81277700    3.02777800   -0.72907600
 C                  1.89488600    3.20874500    0.73205700
 C                  1.60675900    2.12787700    1.56698600
 C                  2.43797000    1.86151700    2.72511200
 C                  4.85650500    0.64385400    3.58245000
 C                  3.69416800   -0.18617000    3.31098300
 C                  2.51512200    0.42247100    2.88385900
 C                  1.73621200   -0.17047500    1.81783000
 C                  1.06460300    0.87647700    1.08279200
 C                  0.80399900    0.71823600   -0.42647700
 C                  1.40778000    1.82974800   -1.26888000
 C                  2.04756400    1.28609200   -2.42181800
 C                  3.08115200    1.98390700   -3.05233700
 C                  6.94203400    3.27104500   -1.16621600
 C                  5.55422500   -0.76340200   -2.94382000
 C                  6.67264100    0.02954200   -2.68342800
 C                  7.48933800   -0.25471900   -1.52038700
 C                  7.17673900   -1.31884900   -0.66769200
 C                  6.01764800   -2.13965100   -0.93673600
 C                  3.77721700   -1.92464500   -1.93210800
 C                  3.22091300   -0.86481600   -2.74110400
 C                  4.31632900   -0.13591600   -3.37094300
 C                  4.24801600    1.25180900   -3.52116800
 C                  5.41159900    2.07931200   -3.25365700
 C                  6.60002300    1.47821800   -2.84199300
 C                  7.90491300    1.01562900   -0.96506500
 C                  7.91346400    1.16848200    0.41143600
 C                  7.67219700    0.06827100    1.30508100
 C                  7.27953700   -1.15755900    0.77697500
 C                  6.20085800   -1.88848100    1.40805000
 C                  5.40875900   -2.48481500    0.34518100
 C                  4.02024300   -2.52747400    0.46063000
 C                  3.19181500   -2.23755100   -0.69567900
 C                  2.11004700   -0.16013000   -2.26572200
 C                  1.48501300   -0.51279200   -1.01944500
 C                  2.02913800   -1.51148000   -0.23601200
 C                  2.12944500   -1.36940300    1.23405000
 C                  3.36400100   -1.98387600    1.64770700
 C                  4.13583400   -1.41741000    2.68106000
 C                  5.57390200   -1.35514900    2.54433000
 C                  6.02060000   -0.08468000    3.10842100
 C                  7.05718000    0.61345800    2.49884900
 C                  7.37168000    2.08804700   -1.77696200
 C                  7.55538700    2.40041700    1.05520300
 C                  5.22073400   -1.86967400   -2.05394100
 C                 -1.02998700   -2.83013400    1.05083200
 N                 -0.27926000   -3.69121900    1.26176900
 K                  1.90061800   -5.51774600    1.64334100
 N                 -0.37805100   -7.27035300    2.29157300
 K                 -2.85077400   -5.90669800    1.65628500
 C                 -0.32650500   -8.10501900    1.45905900
 C                 -2.47235500   -5.83573700   -1.22346300
 K                  0.00324400   -8.12111000   -1.46539100
 K                  0.06479600   -3.68698000   -2.59907900
 N                 -1.77489400   -5.81393200   -2.17377500
 C                  2.11353600   -5.58337300   -1.86853000
 N                  2.34121900   -6.38210700   -1.03146400

28 102 F

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

K 0
LanL2DZ

solventname=c60
eps=4.08
epsinf=3.83




