%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                 -3.69231000    4.47248100    0.33008200
 C                 -2.90702800    4.07321200   -0.82613200
 C                 -3.54303700    3.78929700   -2.04063100
 C                 -4.98985300    3.86987300   -2.13797600
 C                 -5.74289200    4.24463900   -1.02349100
 C                 -5.08159900    4.55817200    0.23309700
 C                 -3.07538300    3.90965400    1.51788400
 C                 -1.90933200    3.16142500    1.10749100
 C                 -1.80575200    3.25737800   -0.36700800
 C                 -1.37133900    2.18595800   -1.11953500
 C                 -3.10475100    2.65546000   -2.81695900
 C                 -5.44475800    2.78110200   -2.98930400
 C                 -6.63454700    2.11160600   -2.68871100
 C                 -7.42083200    2.50699900   -1.53396100
 C                 -6.97988800    3.55035700   -0.71442400
 C                 -7.09193700    3.44494400    0.73004400
 C                 -5.91766400    4.06652400    1.31766800
 C                 -5.32876700    3.51810800    2.45766000
 C                 -3.88440700    3.44488700    2.56687800
 C                 -1.60722200    1.96896500    1.73534700
 C                 -2.44057000    1.47825500    2.79861800
 C                 -3.55602700    2.19892800    3.22182900
 C                 -4.79355000    1.50144600    3.54510800
 C                 -5.88805000    2.31075100    3.05896100
 C                 -7.02228500    1.71523000    2.49475600
 C                 -7.62608300    2.28875300    1.30492600
 C                 -8.07462500    1.19927900    0.45408600
 C                 -7.97612300    1.30614100   -0.93572900
 C                 -4.27765600    2.02654000   -3.40511500
 C                 -6.04149600   -1.78305400   -1.50829300
 C                 -5.24566000   -1.30745300   -2.55323500
 C                 -3.79910600   -1.37422900   -2.44485800
 C                 -3.19912100   -1.90347600   -1.29586100
 C                 -4.02879900   -2.39630800   -0.20937800
 C                 -6.20996200   -1.96287100    0.82450000
 C                 -7.31716500   -1.14575000    0.35853500
 C                 -7.21217200   -1.03538300   -1.08962000
 C                 -7.53602600    0.16705500   -1.72299100
 C                 -6.70783000    0.66505200   -2.80770900
 C                 -5.58353800   -0.05902300   -3.21386800
 C                 -3.24586200   -0.18169700   -3.03912500
 C                 -2.12374300    0.41682400   -2.45503900
 C                 -1.48561800   -0.16617700   -1.30297600
 C                 -2.00757900   -1.31144800   -0.74883700
 C                 -3.37594400   -2.13923200    1.03789400
 C                 -4.12264100   -1.72467800    2.13393100
 C                 -5.56753700   -1.64633300    2.02714700
 C                 -7.73670300   -0.04988800    1.11270100
 C                 -7.07892300    0.27108300    2.37074500
 C                 -6.01275700   -0.51421300    2.81677100
 C                 -4.83723300    0.10669500    3.40859800
 C                 -3.66889500   -0.65925200    3.02548500
 C                 -2.50316800    0.02803300    2.64990300
 C                 -1.65760500   -0.34884400    1.56526200
 C                 -1.04076700    0.80608800    1.01229500
 C                 -0.75217400    0.91340300   -0.50721800
 C                 -4.34506200    0.63747700   -3.52123800
 C                 -2.05181200    1.86332600   -2.33956400
 C                 -5.42739400   -2.35638600   -0.32250400
 C                 -1.92967500   -1.61813200    0.76900000
 C                  4.04896800    3.74197000    2.13618600
 C                  5.49097000    3.72427500    2.02174100
 C                  6.09331300    4.00597400    0.79909200
 C                  5.29934900    4.36525700   -0.35271500
 C                  3.90982100    4.36708700   -0.25316000
 C                  3.26248100    4.03941600    1.01093700
 C                  3.66658200    2.64795100    3.00097700
 C                  4.87682300    1.96233500    3.43921300
 C                  6.00987000    2.63478100    2.83140500
 C                  7.11388600    1.90182700    2.39051100
 C                  7.25278600    3.27398000    0.35022000
 C                  5.95884500    3.82702500   -1.53144400
 C                  5.19360200    3.30095300   -2.57146200
 C                  3.74389600    3.29927800   -2.47193500
 C                  3.11464700    3.81808300   -1.33135000
 C                  1.97731900    3.14433500   -0.74278600
 C                  2.05851900    3.29780900    0.72539900
 C                  1.69752900    2.22886600    1.54675800
 C                  2.52108100    1.90967900    2.70396400
 C                  4.89020800    0.57453600    3.57790000
 C                  3.69000900   -0.19204100    3.28285200
 C                  2.53738900    0.47010400    2.84614100
 C                  1.73107300   -0.06989600    1.77046500
 C                  1.07339400    1.01053900    1.04393400
 C                  0.81812400    0.88180400   -0.49130300
 C                  1.49717800    1.98434300   -1.31326000
 C                  2.16942300    1.42299800   -2.45239500
 C                  3.25969100    2.06994800   -3.04874300
 C                  7.16662300    3.14969300   -1.09661100
 C                  5.62573300   -0.77161300   -2.93793600
 C                  6.77803600   -0.03930100   -2.64747400
 C                  7.57932200   -0.37419600   -1.48104900
 C                  7.20113700   -1.43061800   -0.64713200
 C                  6.00193000   -2.18603400   -0.94345600
 C                  3.78660000   -1.84266700   -1.96240700
 C                  3.27872500   -0.76201700   -2.76938300
 C                  4.41811600   -0.08811800   -3.37685900
 C                  4.40813500    1.29842400   -3.50905500
 C                  5.60737300    2.06220800   -3.21213500
 C                  6.76816000    1.40733300   -2.78939700
 C                  8.07074600    0.86327700   -0.90319500
 C                  8.16147000    0.99409800    0.48610000
 C                  7.77316400   -0.10396600    1.35484800
 C                  7.29901700   -1.29305900    0.80101300
 C                  6.16544800   -1.97144600    1.40258500
 C                  5.35876800   -2.51181800    0.32314400
 C                  3.96885000   -2.47621700    0.42018000
 C                  3.18567500   -2.09968100   -0.73195400
 C                  2.17870900   -0.02334300   -2.30933300
 C                  1.50490000   -0.36009800   -1.07993000
 C                  2.02308100   -1.37014900   -0.29251100
 C                  2.10083300   -1.26795200    1.17862400
 C                  3.30768800   -1.93911500    1.60144500
 C                  4.09133600   -1.43010000    2.64919900
 C                  5.53794300   -1.43154900    2.53268500
 C                  6.03499800   -0.19296600    3.11271700
 C                  7.12583600    0.45628500    2.53177300
 C                  7.56654400    1.96311100   -1.71077900
 C                  7.75314600    2.23046700    1.12695800
 C                  5.23188400   -1.86542200   -2.06534100
 C                 -0.95458000   -2.69541300    1.03241100
 N                 -0.21301400   -3.56632800    1.23473800
 K                  1.86966400   -5.46353300    1.67347200
 N                 -0.48689100   -7.13397000    2.27889800
 K                 -2.91694900   -5.72524800    1.54396200
 C                 -0.42756900   -7.96518700    1.44351800
 C                 -2.46708400   -5.70851300   -1.32005400
 K                 -0.02418300   -8.01405300   -1.46975700
 K                  0.11495900   -3.58398300   -2.61742300
 N                 -1.75415200   -5.68770400   -2.25872300
 C                  2.12008800   -5.50477500   -1.82808800
 N                  2.34646900   -6.31396600   -1.00076200

63 108 F

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

K 0
LanL2DZ

solventname=c60
eps=4.08
epsinf=3.83


