%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                 -3.69828600    4.47486600    0.33139900
 C                 -2.91279800    4.07638400   -0.82493900
 C                 -3.54870000    3.79212700   -2.03939700
 C                 -4.99558600    3.87168800   -2.13663700
 C                 -5.74880800    4.24576300   -1.02204700
 C                 -5.08764200    4.55957100    0.23452600
 C                 -3.08091100    3.91231500    1.51904600
 C                 -1.91428800    3.16511700    1.10849200
 C                 -1.81081400    3.26134600   -0.36600000
 C                 -1.37559000    2.19030800   -1.11881300
 C                 -3.10970800    2.65869300   -2.81593700
 C                 -5.44981900    2.78274100   -2.98808500
 C                 -6.63915000    2.11237900   -2.68750500
 C                 -7.42565800    2.50707200   -1.53266100
 C                 -6.98534000    3.55061200   -0.71299100
 C                 -7.09719600    3.44492000    0.73146900
 C                 -5.92327700    4.06718200    1.31905200
 C                 -5.33390900    3.51896500    2.45884500
 C                 -3.88956500    3.44671300    2.56788900
 C                 -1.61130900    1.97269900    1.73617900
 C                 -2.44438400    1.48116800    2.79937200
 C                 -3.56032800    2.20095900    3.22265600
 C                 -4.79730000    1.50256700    3.54596000
 C                 -5.89228900    2.31114600    3.06000500
 C                 -7.02620800    1.71500600    2.49588700
 C                 -7.63047600    2.28828300    1.30622400
 C                 -8.07837700    1.19862200    0.45526800
 C                 -7.98007600    1.30573600   -0.93454100
 C                 -4.28223100    2.02901900   -3.40404600
 C                 -6.04321400   -1.78195900   -1.50759000
 C                 -5.24782200   -1.30569800   -2.55250900
 C                 -3.80128000   -1.37154200   -2.44425600
 C                 -3.20081900   -1.90068800   -1.29553900
 C                 -4.03008100   -2.39434100   -0.20899400
 C                 -6.21145400   -1.96224100    0.82508000
 C                 -7.31924300   -1.14584300    0.35935200
 C                 -7.21442900   -1.03522800   -1.08878100
 C                 -7.53920800    0.16704800   -1.72197600
 C                 -6.71143000    0.66576900   -2.80670600
 C                 -5.58663900   -0.05747400   -3.21298200
 C                 -3.24894100   -0.17855300   -3.03840800
 C                 -2.12710700    0.42063800   -2.45446000
 C                 -1.48843000   -0.16213600   -1.30247800
 C                 -2.00965900   -1.30792100   -0.74846600
 C                 -3.37733500   -2.13717700    1.03844600
 C                 -4.12431500   -1.72301500    2.13466500
 C                 -5.56927800   -1.64547200    2.02775100
 C                 -7.73950100   -0.05039100    1.11368000
 C                 -7.08186500    0.27089700    2.37168100
 C                 -6.01517400   -0.51374500    2.81751000
 C                 -4.84004500    0.10784700    3.40929000
 C                 -3.67129900   -0.65740800    3.02630000
 C                 -2.50609800    0.03086300    2.65045600
 C                 -1.66040500   -0.34532000    1.56586000
 C                 -1.04390400    0.81029000    1.01293700
 C                 -0.75554800    0.91803700   -0.50667800
 C                 -4.34869100    0.63992500   -3.52038700
 C                 -2.05610600    1.86724400   -2.33882000
 C                 -5.42873900   -2.35511400   -0.32200300
 C                 -1.93150000   -1.61472700    0.76934500
 C                  4.04814500    3.73817400    2.13177800
 C                  5.48807000    3.70921000    2.01427200
 C                  6.07874000    3.96186300    0.78443300
 C                  5.29769500    4.34439700   -0.36254200
 C                  3.90996600    4.35987900   -0.26118100
 C                  3.26345400    4.03655300    1.00497400
 C                  3.66573400    2.64994700    3.00256600
 C                  4.87655800    1.96277200    3.44253900
 C                  6.01014900    2.62831200    2.83010100
 C                  7.11548600    1.89542400    2.39064700
 C                  7.24876800    3.25257500    0.34246700
 C                  5.96204700    3.81435100   -1.54057600
 C                  5.19680800    3.29193700   -2.58060800
 C                  3.74611700    3.29380100   -2.47939400
 C                  3.11455500    3.81520800   -1.33989600
 C                  1.97599100    3.14532000   -0.74868100
 C                  2.05817600    3.29869400    0.72079200
 C                  1.69634700    2.23282000    1.54666700
 C                  2.51887100    1.91429000    2.70659800
 C                  4.88987000    0.57580000    3.58413900
 C                  3.68773200   -0.18813200    3.29135200
 C                  2.53456900    0.47529300    2.85338900
 C                  1.72670000   -0.06406000    1.77824800
 C                  1.07017000    1.01538200    1.04620900
 C                  0.81465100    0.88665100   -0.49165600
 C                  1.49450100    1.98620600   -1.31810000
 C                  2.16822800    1.42238400   -2.45686900
 C                  3.26119000    2.06481400   -3.05445600
 C                  7.16927100    3.13591800   -1.10403200
 C                  5.62781200   -0.77958000   -2.93810100
 C                  6.78137200   -0.05010000   -2.64827400
 C                  7.58153000   -0.38471800   -1.47941400
 C                  7.20288000   -1.43842600   -0.64149100
 C                  6.00211100   -2.18970000   -0.93617100
 C                  3.79088000   -1.83246600   -1.95271500
 C                  3.27953500   -0.76109500   -2.76720000
 C                  4.41985400   -0.09445500   -3.37937200
 C                  4.41008400    1.29125000   -3.51445900
 C                  5.61113500    2.05212100   -3.21873600
 C                  6.77200700    1.39584100   -2.79417400
 C                  8.07428500    0.85201700   -0.90343400
 C                  8.16596800    0.98303600    0.48692000
 C                  7.77654600   -0.11165600    1.35963900
 C                  7.30147800   -1.30026800    0.80766300
 C                  6.16669500   -1.97448500    1.41216600
 C                  5.35974000   -2.51079900    0.33238300
 C                  3.97190600   -2.46088700    0.43142600
 C                  3.20223600   -2.05968000   -0.71541100
 C                  2.17807500   -0.02236700   -2.30941300
 C                  1.50417800   -0.35304200   -1.07710400
 C                  2.02916500   -1.35232700   -0.28287900
 C                  2.09894100   -1.26081700    1.18813200
 C                  3.30559700   -1.93304400    1.61244300
 C                  4.08950600   -1.42724400    2.66004000
 C                  5.53720000   -1.43192700    2.54125100
 C                  6.03492800   -0.19364500    3.11909100
 C                  7.12759200    0.45146000    2.53572100
 C                  7.57140900    1.95046600   -1.71572700
 C                  7.75507000    2.21852000    1.12537200
 C                  5.23377400   -1.86733500   -2.05925300
 C                 -0.95501500   -2.69076900    1.03292500
 N                 -0.21271700   -3.56040600    1.23826100
 K                  1.87851400   -5.44564500    1.66455500
 N                 -0.46565800   -7.14283600    2.25765700
 K                 -2.90173700   -5.73339500    1.53920000
 C                 -0.40277500   -7.97580200    1.42424800
 C                 -2.44639500   -5.71305600   -1.32302900
 K                  0.01301900   -8.00885100   -1.48555500
 K                  0.11449000   -3.57099100   -2.61868000
 N                 -1.72859300   -5.69352700   -2.25803300
 C                  2.13933300   -5.47725900   -1.84297100
 N                  2.35829600   -6.28285800   -1.01008600

63 108 F

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

K 0
LanL2DZ

solventname=c60
eps=4.08
epsinf=3.83


