%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                 -3.79970400    4.11491200    1.82982800
 C                 -3.06640500    4.36300900    0.60002500
 C                 -3.76489500    4.60487200   -0.58845800
 C                 -5.21761000    4.59127800   -0.59546600
 C                 -5.91780200    4.34888200    0.58796000
 C                 -5.19424000    4.11250100    1.82706600
 C                 -3.06935700    3.12688900    2.60401000
 C                 -1.88335000    2.75812900    1.86657700
 C                 -1.87964700    3.53267600    0.60152300
 C                 -1.42051500    2.97481900   -0.57546000
 C                 -3.30634300    3.99587700   -1.81410400
 C                 -5.65603500    3.97241600   -1.83638900
 C                 -6.77559300    3.13594100   -1.84091200
 C                 -7.50676300    2.89131100   -0.61043900
 C                 -7.08303400    3.48443100    0.58123200
 C                 -7.08812800    2.72130400    1.82011600
 C                 -5.92236700    3.10932700    2.59020800
 C                 -5.22394700    2.15654300    3.33401000
 C                 -3.77332600    2.16836800    3.34762700
 C                 -1.45107200    1.44750000    1.88305300
 C                 -2.19269200    0.45496300    2.60142600
 C                 -3.32276600    0.79742800    3.34813100
 C                 -4.48770200   -0.07830700    3.35941300
 C                 -5.66272600    0.76601600    3.33326500
 C                 -6.79086100    0.39331200    2.59351900
 C                 -7.50715400    1.38833200    1.81730700
 C                 -7.93953400    0.76880400    0.57450800
 C                 -7.93936700    1.50343500   -0.61238800
 C                 -4.47257300    3.60077500   -2.59058700
 C                 -5.84130300   -0.79767400   -2.59144200
 C                 -5.15222800    0.16934600   -3.32666400
 C                 -3.70029500    0.19278500   -3.30430000
 C                 -2.99018100   -0.74206500   -2.54064600
 C                 -3.71187600   -1.74398700   -1.77512100
 C                 -5.84646000   -2.03736100   -0.59312800
 C                 -7.03123500   -1.19832400   -0.60416700
 C                 -7.02781500   -0.43174200   -1.84201500
 C                 -7.47631300    0.89144600   -1.84621800
 C                 -6.75889400    1.90010000   -2.60666100
 C                 -5.61986400    1.54571700   -3.33389300
 C                 -3.27310600    1.57047500   -3.30680400
 C                 -2.16105100    1.93831000   -2.54430000
 C                 -1.41912500    0.95877800   -1.79661400
 C                 -1.82095800   -0.35375300   -1.79328700
 C                 -2.98905400   -2.00273000   -0.55453400
 C                 -3.70087900   -2.23821600    0.62484200
 C                 -5.15481900   -2.25269200    0.60156600
 C                 -7.47938400   -0.60912400    0.57947300
 C                 -6.76440000   -0.83851000    1.82480300
 C                 -5.62567100   -1.64819700    1.83438800
 C                 -4.45578100   -1.25976900    2.60943800
 C                 -3.26984900   -1.66346600    1.87953800
 C                 -2.17302200   -0.77647300    1.81390500
 C                 -1.38354800   -0.58128500    0.65719000
 C                 -0.72775000    0.79518800    0.72246600
 C                 -0.71015400    1.62727500   -0.63125600
 C                 -4.45538700    2.41582900   -3.32620300
 C                 -2.17208000    3.17663500   -1.78685800
 C                 -5.11052100   -1.78958700   -1.81764300
 C                 -1.69527000   -1.24938400   -0.57563300
 C                 -0.40283700   -2.57612300   -1.09715300
 C                  3.98518300    2.08353200    3.31072500
 C                  5.43351600    1.98638800    3.29281700
 C                  6.17843700    2.86402500    2.50487200
 C                  5.50592000    3.87584900    1.70367800
 C                  4.11525200    3.95918900    1.71024300
 C                  3.33503200    3.04516600    2.52580400
 C                  3.45234600    0.74356300    3.37431000
 C                  4.56618400   -0.19511500    3.39726500
 C                  5.79432000    0.57719300    3.34538400
 C                  6.88484500    0.10424100    2.61061200
 C                  7.30621700    2.36939200    1.74166700
 C                  6.22925700    4.01341100    0.45059400
 C                  5.54256600    4.25357000   -0.73950100
 C                  4.09531600    4.35589500   -0.72853500
 C                  3.39215000    4.20087000    0.47316400
 C                  2.16074300    3.44270800    0.51101200
 C                  2.12441800    2.71569600    1.80482500
 C                  1.60119800    1.44198400    1.88579300
 C                  2.29348600    0.43774000    2.65339000
 C                  4.47659700   -1.40947800    2.71496400
 C                  3.26706400   -1.73926600    1.97859200
 C                  2.20707800   -0.82426500    1.93830900
 C                  1.46637700   -0.59918800    0.72782300
 C                  0.84740700    0.78670500    0.74360800
 C                  0.87478000    1.57433700   -0.64302600
 C                  1.66805100    2.86893600   -0.64340200
 C                  2.41624000    2.98287600   -1.86861800
 C                  3.59673500    3.72920100   -1.92968000
 C                  7.32458300    3.07008100    0.47020600
 C                  5.75451900    1.08572400   -3.35790400
 C                  6.91460200    1.39771400   -2.64746900
 C                  7.57671400    0.37912200   -1.84896000
 C                  7.05228300   -0.91346300   -1.78959500
 C                  5.84484300   -1.23750000   -2.52394000
 C                  3.75860800   -0.14927500   -3.27754200
 C                  3.41187000    1.25120900   -3.33026600
 C                  4.64290600    2.02266400   -3.38019200
 C                  4.73271700    3.23379600   -2.69418700
 C                  5.93907300    3.56018200   -1.95575200
 C                  7.00696600    2.66020000   -1.93276000
 C                  8.07874800    1.00998800   -0.64088100
 C                  8.04613500    0.32673700    0.57584600
 C                  7.50706400   -1.02026200    0.63880500
 C                  7.01645300   -1.62720600   -0.51953600
 C                  5.78770800   -2.39476600   -0.46864300
 C                  5.05945100   -2.14860500   -1.70483800
 C                  3.67003500   -2.02791900   -1.67758300
 C                  3.00266500   -1.01224600   -2.47625800
 C                  2.32451500    1.71932800   -2.58163700
 C                  1.52826900    0.82158800   -1.79455400
 C                  1.87657500   -0.50966800   -1.72358800
 C                  1.84525200   -1.23405000   -0.43319500
 C                  2.95353900   -2.16161900   -0.42159500
 C                  3.65045000   -2.42335500    0.76279300
 C                  5.09707100   -2.53143600    0.73979000
 C                  5.60989300   -1.90193200    1.94787200
 C                  6.78980300   -1.15865200    1.89552900
 C                  7.72161100    2.41652800   -0.69392300
 C                  7.65858700    1.02039200    1.79324300
 C                  5.20689800   -0.26019800   -3.29335900
 N                 -0.13972900   -3.72157300   -1.13713300
 K                  2.05504700   -5.54250400   -1.55297500
 N                  1.91471500   -5.89510100    1.30543100
 C                  0.11053500   -7.46489800   -2.60468100
 K                  0.00625600   -3.91614000    2.13805600
 C                  1.55665400   -7.00877400    1.45782500
 N                 -0.90390300   -7.69614100   -2.04829300
 C                 -2.30929700   -5.65910200    1.90673100
 K                 -0.84572100   -8.53883100    0.71881800
 K                 -2.60813600   -5.43113900   -1.53483600
 N                 -2.77800300   -6.42469100    1.14178200

61 90 F

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

K 0
LanL2DZ

solventname=c60
eps=4.08
epsinf=3.83


