%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                 -3.68997800    4.47203700    0.32921000
 C                 -2.90478300    4.07230700   -0.82691500
 C                 -3.54083800    3.78842000   -2.04140800
 C                 -4.98762200    3.86947600   -2.13881100
 C                 -5.74058000    4.24468900   -1.02442300
 C                 -5.07922900    4.55819100    0.23214800
 C                 -3.07329500    3.90916700    1.51713600
 C                 -1.90748400    3.16045200    1.10691700
 C                 -1.80382800    3.25617100   -0.36761600
 C                 -1.36981500    2.18444000   -1.11995500
 C                 -3.10292500    2.65430200   -2.81753100
 C                 -5.44287500    2.78071300   -2.98998900
 C                 -6.63290800    2.11168500   -2.68935100
 C                 -7.41910000    2.50753900   -1.53467900
 C                 -6.97782900    3.55088600   -0.71529700
 C                 -7.08997200    3.44575000    0.72918700
 C                 -5.91551000    4.06702600    1.31676900
 C                 -5.32685300    3.51860400    2.45688400
 C                 -3.88250800    3.44489000    2.56618500
 C                 -1.60571400    1.96801300    1.73501400
 C                 -2.43930000    1.47779500    2.79835700
 C                 -3.55457200    2.19893600    3.22136400
 C                 -4.79233500    1.50192800    3.54463200
 C                 -5.88658000    2.31154700    3.05834400
 C                 -7.02095700    1.71629900    2.49416900
 C                 -7.62456100    2.28984400    1.30423500
 C                 -8.07343900    1.20037900    0.45356200
 C                 -7.97484300    1.30697800   -0.93627400
 C                 -4.27601500    2.02568400   -3.40563300
 C                 -6.04125200   -1.78298700   -1.50826100
 C                 -5.24516500   -1.30782400   -2.55320200
 C                 -3.79862300   -1.37513400   -2.44481200
 C                 -3.19881000   -1.90444500   -1.29572900
 C                 -4.02878700   -2.39672500   -0.20921300
 C                 -6.20986200   -1.96236700    0.82455600
 C                 -7.31676900   -1.14493800    0.35841400
 C                 -7.21168700   -1.03484100   -1.08975700
 C                 -7.53510800    0.16760800   -1.72333200
 C                 -6.70667100    0.66513300   -2.80809200
 C                 -5.58260000   -0.05939200   -3.21407600
 C                 -3.24496600   -0.18288100   -3.03924300
 C                 -2.12266400    0.41533600   -2.45520900
 C                 -1.48472800   -0.16772600   -1.30303300
 C                 -2.00703400   -1.31281400   -0.74874100
 C                 -3.37593500   -2.13959600    1.03804800
 C                 -4.12251900   -1.72466700    2.13396800
 C                 -5.56735600   -1.64584000    2.02716000
 C                 -7.73596700   -0.04880300    1.11238900
 C                 -7.07809700    0.27214000    2.37039200
 C                 -6.01221400   -0.51342400    2.81658500
 C                 -4.83652500    0.10718600    3.40837000
 C                 -3.66841800   -0.65914500    3.02530700
 C                 -2.50242300    0.02760500    2.64988700
 C                 -1.65690100   -0.34979300    1.56520500
 C                 -1.03965700    0.80474700    1.01209400
 C                 -0.75103600    0.91184300   -0.50743500
 C                 -4.34387800    0.63662500   -3.52150700
 C                 -2.05028600    1.86185400   -2.33997400
 C                 -5.42736900   -2.35631600   -0.32235100
 C                 -1.92941300   -1.61918200    0.76925600
 C                  4.05026300    3.74400800    2.13822900
 C                  5.49324300    3.73125400    2.02510500
 C                  6.10149000    4.02720400    0.80629800
 C                  5.30123900    4.37487600   -0.34792500
 C                  3.91082200    4.37067800   -0.24936600
 C                  3.26287700    4.04107300    1.01371100
 C                  3.66745100    2.64716700    3.00007400
 C                  4.87720800    1.96192700    3.43749300
 C                  6.01027200    2.63747800    2.83199800
 C                  7.11330300    1.90399800    2.39041400
 C                  7.25526100    3.28336500    0.35396000
 C                  5.95816200    3.83251800   -1.52699300
 C                  5.19272000    3.30474400   -2.56699700
 C                  3.74344600    3.30180800   -2.46835600
 C                  3.11557000    3.81965900   -1.32726700
 C                  1.97853100    3.14446400   -0.74001900
 C                  2.05932300    3.29809700    0.72754400
 C                  1.69837100    2.22762800    1.54669000
 C                  2.52235800    1.90788100    2.70268900
 C                  4.89005200    0.57370100    3.57480300
 C                  3.69056900   -0.19387700    3.27876700
 C                  2.53837600    0.46796900    2.84270200
 C                  1.73243600   -0.07224800    1.76683900
 C                  1.07452000    1.00916700    1.04285200
 C                  0.81940300    0.88022200   -0.49115100
 C                  1.49846600    1.98414900   -1.31097500
 C                  2.16994700    1.42369500   -2.45034800
 C                  3.25923100    2.07247500   -3.04590200
 C                  7.16593600    3.15537400   -1.09298100
 C                  5.62403900   -0.76856400   -2.93776400
 C                  6.77590300   -0.03511400   -2.64700800
 C                  7.57759600   -0.37033100   -1.48171300
 C                  7.19931700   -1.42799700   -0.64979300
 C                  6.00070000   -2.18508800   -0.94687300
 C                  3.78344900   -1.84780700   -1.96681900
 C                  3.27757900   -0.76265900   -2.77040700
 C                  4.41680200   -0.08547700   -3.37563200
 C                  4.40723800    1.30150000   -3.50633600
 C                  5.60578500    2.06638100   -3.20885300
 C                  6.76629200    1.41185200   -2.78702000
 C                  8.06884500    0.86730100   -0.90305500
 C                  8.15911700    0.99813800    0.48571700
 C                  7.77097100   -0.10144500    1.35251900
 C                  7.29687000   -1.29065100    0.79784700
 C                  6.16365100   -1.97068500    1.39796200
 C                  5.35697100   -2.51295700    0.31871600
 C                  3.96605800   -2.48389200    0.41468100
 C                  3.17630200   -2.11961600   -0.74009700
 C                  2.17847500   -0.02345100   -2.30939900
 C                  1.50472800   -0.36292100   -1.08134200
 C                  2.01931500   -1.37849100   -0.29722200
 C                  2.10073100   -1.27115600    1.17398800
 C                  3.30752700   -1.94220200    1.59614700
 C                  4.09125300   -1.43158000    2.64400500
 C                  5.53740300   -1.43184200    2.52856600
 C                  6.03446900   -0.19325000    3.10954700
 C                  7.12463900    0.45769900    2.52983400
 C                  7.56435500    1.96801200   -1.70835900
 C                  7.75257600    2.23517800    1.12770700
 C                  5.22987000   -1.86528200   -2.06817600
 C                 -0.95509900   -2.69701900    1.03342500
 N                 -0.21492500   -3.56891300    1.23670600
 K                  1.86638400   -5.46993400    1.67742400
 N                 -0.49177200   -7.13538200    2.28671300
 K                 -2.92091800   -5.72830300    1.54632000
 C                 -0.43276900   -7.96497300    1.44970700
 C                 -2.47072600   -5.71516400   -1.31756200
 K                 -0.03124900   -8.01986800   -1.46432000
 K                  0.11475600   -3.58991800   -2.61741300
 N                 -1.76009500   -5.68908200   -2.25782800
 C                  2.11367900   -5.51507400   -1.82281500
 N                  2.34525600   -6.32424400   -0.99693000

63 108 F

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

K 0
LanL2DZ

solventname=c60
eps=4.08
epsinf=3.83


