%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                 -3.88188000    4.13898600    1.82754500
 C                 -3.14273500    4.39786000    0.60332000
 C                 -3.83635800    4.61536000   -0.59265000
 C                 -5.28826900    4.56554500   -0.61300900
 C                 -5.99352800    4.31273400    0.56507400
 C                 -5.27589400    4.10193500    1.81207500
 C                 -3.13473400    3.17463800    2.61510700
 C                 -1.93224200    2.83186500    1.89160100
 C                 -1.93455000    3.59797600    0.62094600
 C                 -1.44717800    3.04698600   -0.54894200
 C                 -3.35124000    4.01122900   -1.81041900
 C                 -5.69964000    3.92855300   -1.85399800
 C                 -6.79836000    3.06478000   -1.86397900
 C                 -7.53443800    2.80905200   -0.63872500
 C                 -7.13704400    3.41991400    0.55289600
 C                 -7.13451800    2.66409800    1.79629900
 C                 -5.98632000    3.08587400    2.57486900
 C                 -5.27167500    2.15519600    3.33106400
 C                 -3.82202100    2.20353000    3.35836100
 C                 -1.46796100    1.53244000    1.92117500
 C                 -2.19310900    0.52563900    2.63758000
 C                 -3.33790700    0.84407300    3.37196200
 C                 -4.48050400   -0.06048800    3.37622000
 C                 -5.67593000    0.75436900    3.33474700
 C                 -6.78684100    0.34905200    2.58654600
 C                 -7.52059200    1.32126000    1.79786500
 C                 -7.92589200    0.68354100    0.55509400
 C                 -7.93291300    1.41089300   -0.63618500
 C                 -4.50042300    3.58217300   -2.59510200
 C                 -5.75973300   -0.84896600   -2.58152600
 C                 -5.08856900    0.13062200   -3.31653300
 C                 -3.63808200    0.19038500   -3.28107600
 C                 -2.91272000   -0.72267600   -2.50493100
 C                 -3.61479900   -1.73790400   -1.73985300
 C                 -5.75276800   -2.07698600   -0.57567400
 C                 -6.95775600   -1.26739500   -0.60285200
 C                 -6.96203800   -0.50836600   -1.84541800
 C                 -7.44346500    0.80332700   -1.86193100
 C                 -6.74416600    1.82506100   -2.62181700
 C                 -5.59044800    1.49501000   -3.33689900
 C                 -3.24592100    1.57827100   -3.28816000
 C                 -2.15185900    1.97875000   -2.51615700
 C                 -1.39870500    1.02224300   -1.75357800
 C                 -1.76291800   -0.30050100   -1.74785000
 C                 -2.89454900   -1.97376400   -0.51131100
 C                 -3.61369400   -2.21835000    0.66223100
 C                 -5.06667600   -2.26807600    0.62612900
 C                 -7.43160800   -0.68238900    0.57278700
 C                 -6.72272000   -0.88654700    1.82576400
 C                 -5.56469400   -1.66795500    1.85091700
 C                 -4.41317300   -1.24616700    2.63521600
 C                 -3.21103800   -1.62384900    1.91768500
 C                 -2.13711000   -0.70988900    1.85885600
 C                 -1.34453800   -0.50177000    0.70698100
 C                 -0.72445000    0.89151200    0.76982000
 C                 -0.71110000    1.71202300   -0.58987200
 C                 -4.44818400    2.39396700   -3.32381200
 C                 -2.19671500    3.22164300   -1.76750200
 C                 -5.01133000   -1.81764300   -1.79459700
 C                 -1.62097900   -1.18696200   -0.52428400
 C                 -0.26469400   -2.44763200   -1.04754200
 C                  4.03134900    2.12306700    3.31269000
 C                  5.47645400    1.98812200    3.28134100
 C                  6.23174800    2.83677800    2.47370400
 C                  5.57572500    3.85659200    1.66772700
 C                  4.18912700    3.97807400    1.68822500
 C                  3.39637000    3.09290800    2.52356600
 C                  3.46817400    0.79697700    3.39692900
 C                  4.55875400   -0.16941900    3.41944700
 C                  5.80430200    0.57051700    3.34507300
 C                  6.87560900    0.06049900    2.60497400
 C                  7.33287400    2.30051100    1.70146500
 C                  6.28332700    3.95568400    0.40318500
 C                  5.59632700    4.20629600   -0.78312800
 C                  4.15358500    4.34889800   -0.75788000
 C                  3.46048700    4.22457100    0.45451300
 C                  2.21115800    3.49870600    0.51434900
 C                  2.17088400    2.78694800    1.81817700
 C                  1.61900800    1.52706800    1.91999800
 C                  2.29486900    0.51296100    2.69108700
 C                  4.43273000   -1.38922700    2.75130300
 C                  3.20858700   -1.69687000    2.03242500
 C                  2.17236000   -0.75443300    1.99114700
 C                  1.42648600   -0.52326400    0.78693100
 C                  0.84463600    0.87930600    0.79035300
 C                  0.87429300    1.65037600   -0.60431100
 C                  1.69237100    2.92687500   -0.62996500
 C                  2.43132000    3.00687800   -1.86490000
 C                  3.62858000    3.72222900   -1.94794000
 C                  7.33828600    2.97292000    0.41899000
 C                  5.70745600    1.00564100   -3.36865100
 C                  6.88230400    1.29521700   -2.67402700
 C                  7.52804100    0.26838500   -1.87019500
 C                  6.97391500   -1.01022800   -1.78971000
 C                  5.75076900   -1.31099200   -2.50794200
 C                  3.68404400   -0.17644400   -3.25158100
 C                  3.37068100    1.23165900   -3.31748000
 C                  4.61918500    1.97079400   -3.38948000
 C                  4.74434300    3.18790600   -2.71852100
 C                  5.96482700    3.49015700   -1.99560700
 C                  7.00922200    2.56199500   -1.97400600
 C                  8.05467700    0.89850700   -0.67310800
 C                  8.01932100    0.23126000    0.55295400
 C                  7.45011000   -1.10098800    0.63761000
 C                  6.93410300   -1.70813700   -0.50992000
 C                  5.68757700   -2.44379800   -0.43704600
 C                  4.95352400   -2.19306400   -1.66857900
 C                  3.56879700   -2.03162200   -1.62502300
 C                  2.91891600   -1.00898500   -2.42839700
 C                  2.30459100    1.73681400   -2.56131200
 C                  1.50101400    0.86922000   -1.75145400
 C                  1.82028700   -0.46664000   -1.66736300
 C                  1.77664400   -1.18018100   -0.37216200
 C                  2.86626000   -2.13034800   -0.36077900
 C                  3.56504800   -2.40021600    0.81783100
 C                  5.00641400   -2.54790500    0.78099700
 C                  5.54591900   -1.91928700    1.97777900
 C                  6.74312300   -1.20729500    1.90455600
 C                  7.72507000    2.30984000   -0.73926500
 C                  7.65991400    0.94672400    1.76684700
 C                  5.12855900   -0.32572800   -3.28177000
 N                 -0.07450200   -3.59222200   -1.24600800
 K                  2.10425400   -5.43351700   -1.62573500
 N                  1.88966800   -5.83106000    1.23890600
 C                  0.19449800   -7.36623300   -2.71855600
 K                 -0.02490900   -3.89635300    2.13965600
 C                  1.56586000   -6.95856200    1.36341400
 N                 -0.82873200   -7.60096900   -2.18002400
 C                 -2.30528600   -5.65649700    1.81009200
 K                 -0.81127600   -8.49352100    0.56870700
 K                 -2.51893100   -5.33146600   -1.64365500
 N                 -2.76026800   -6.38397300    1.00099500

61 90 F

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

K 0
LanL2DZ

solventname=c60
eps=4.08
epsinf=3.83


