%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                 -3.58255000    4.46566100    0.36165400
 C                 -2.79779100    4.05729700   -0.79258600
 C                 -3.42347500    3.79151900   -2.01821200
 C                 -4.86522400    3.90006500   -2.12819500
 C                 -5.61858700    4.28471000   -1.01486000
 C                 -4.96732700    4.57802700    0.25239300
 C                 -2.98987900    3.88064000    1.55295300
 C                 -1.84070000    3.10987000    1.14587700
 C                 -1.72523800    3.21285800   -0.32619200
 C                 -1.32095000    2.13347000   -1.07954600
 C                 -3.00106800    2.65341100   -2.80052500
 C                 -5.32915100    2.82412900   -2.99551500
 C                 -6.52719500    2.17055100   -2.70697500
 C                 -7.30008400    2.57115800   -1.54764400
 C                 -6.86481300    3.60641500   -0.71857900
 C                 -6.99661800    3.49270600    0.72447400
 C                 -5.82121800    4.09161700    1.32763700
 C                 -5.25557500    3.52374600    2.47128900
 C                 -3.81499100    3.42261300    2.59353600
 C                 -1.57305400    1.90575100    1.76684500
 C                 -2.41352100    1.42419200    2.82576500
 C                 -3.51703700    2.16535700    3.24417800
 C                 -4.76769600    1.48732400    3.55215500
 C                 -5.84147600    2.32190500    3.06105300
 C                 -6.97843300    1.74880900    2.48285400
 C                 -7.55228800    2.34088000    1.28898200
 C                 -7.99692400    1.26290500    0.42715400
 C                 -7.83851400    1.37368600   -0.95132000
 C                 -4.17529700    2.04722500   -3.40679200
 C                 -6.02421100   -1.75135000   -1.54209900
 C                 -5.21268000   -1.28147100   -2.57965600
 C                 -3.77073600   -1.37645600   -2.45894300
 C                 -3.19380400   -1.92586800   -1.30545800
 C                 -4.03973600   -2.40958500   -0.22679800
 C                 -6.21897300   -1.93910300    0.79194500
 C                 -7.30233600   -1.09696100    0.32093800
 C                 -7.17784700   -0.98082600   -1.12564700
 C                 -7.45638000    0.23443300   -1.75181200
 C                 -6.62582600    0.72421900   -2.83544200
 C                 -5.51825800   -0.02132300   -3.23956500
 C                 -3.19198900   -0.18907300   -3.04369600
 C                 -2.07154400    0.38862200   -2.44132500
 C                 -1.46630700   -0.21252800   -1.28366800
 C                 -2.00127400   -1.35580800   -0.74205500
 C                 -3.39518000   -2.16902300    1.02966200
 C                 -4.14282000   -1.74626500    2.12238800
 C                 -5.58390500   -1.64041900    2.00369900
 C                 -7.70348000    0.00294500    1.07972900
 C                 -7.06037300    0.30420600    2.34864500
 C                 -6.01500600   -0.50446100    2.79821800
 C                 -4.83565100    0.09286300    3.40604400
 C                 -3.67974900   -0.69335800    3.02762200
 C                 -2.50070100   -0.02453200    2.66911800
 C                 -1.65936400   -0.41046200    1.58293800
 C                 -1.03933800    0.73832700    1.03621400
 C                 -0.74258900    0.84925600   -0.47254000
 C                 -4.26695200    0.65709200   -3.53241000
 C                 -1.97694800    1.83349400   -2.31400500
 C                 -5.43464800   -2.34286800   -0.35221700
 C                 -1.94057600   -1.66987000    0.77584700
 C                  3.97266000    3.76103800    2.13158500
 C                  5.41435300    3.78268900    2.00968400
 C                  6.01824400    4.11507000    0.79012200
 C                  5.19550100    4.41897200   -0.36756500
 C                  3.80627600    4.37905800   -0.26018800
 C                  3.17369600    4.03933300    1.00962000
 C                  3.61479800    2.65594800    2.99922600
 C                  4.83552300    1.99275000    3.43217100
 C                  5.94977800    2.69351800    2.81784400
 C                  7.05316200    1.97192400    2.36826100
 C                  7.16311900    3.35974800    0.32404800
 C                  5.84678100    3.86945800   -1.55081100
 C                  5.08593300    3.31730600   -2.58478100
 C                  3.63990400    3.28755600   -2.47668900
 C                  3.01695900    3.80152600   -1.33048500
 C                  1.90500500    3.10290000   -0.73045300
 C                  1.98758100    3.26730100    0.73393900
 C                  1.65894200    2.18939100    1.55704000
 C                  2.48570000    1.88990700    2.71277300
 C                  4.87208200    0.60242300    3.57442600
 C                  3.68832000   -0.19215100    3.28787800
 C                  2.52617300    0.44926700    2.85731100
 C                  1.73308400   -0.11211000    1.78428100
 C                  1.07352200    0.95692400    1.05892300
 C                  0.81399800    0.81625600   -0.46090500
 C                  1.45683200    1.92569600   -1.28878400
 C                  2.11120600    1.37371700   -2.43561900
 C                  3.17531600    2.04539800   -3.04624200
 C                  7.06450200    3.21323700   -1.12264400
 C                  5.58155800   -0.75991400   -2.94505600
 C                  6.71964000   -0.00064700   -2.66729200
 C                  7.52762700   -0.31643000   -1.50447000
 C                  7.17753600   -1.37913000   -0.66595300
 C                  5.99565800   -2.16442100   -0.95157500
 C                  3.76609900   -1.88248900   -1.96058100
 C                  3.24163400   -0.80147400   -2.76190600
 C                  4.36209200   -0.09864100   -3.37575700
 C                  4.32936800    1.28996600   -3.51195700
 C                  5.51340000    2.08192000   -3.22708300
 C                  6.68499200    1.44831900   -2.81204600
 C                  7.98643800    0.93520000   -0.93461700
 C                  8.03459600    1.07490500    0.44779800
 C                  7.71659000   -0.02777600    1.32487100
 C                  7.27751200   -1.23299100    0.78009900
 C                  6.16870500   -1.93697600    1.39281300
 C                  5.36695300   -2.50310400    0.32055200
 C                  3.97603400   -2.51066400    0.42481200
 C                  3.16205800   -2.18986000   -0.73333300
 C                  2.14093100   -0.07446300   -2.29134300
 C                  1.49161000   -0.42275700   -1.05582400
 C                  2.01180300   -1.43955600   -0.27734500
 C                  2.10658500   -1.31277600    1.19342700
 C                  3.32361100   -1.96245200    1.61014700
 C                  4.10355800   -1.42728400    2.65230200
 C                  5.54560900   -1.40100000    2.52767700
 C                  6.02289300   -0.14917700    3.10360200
 C                  7.08875000    0.52385600    2.51156400
 C                  7.47188400    2.02646700   -1.73879300
 C                  7.66022400    2.31023700    1.09408400
 C                  5.21254100   -1.86476300   -2.07028500
 C                 -0.97508600   -2.75500900    1.04293400
 N                 -0.23460400   -3.62599100    1.24891400
 K                  1.85919000   -5.51697000    1.69202800
 N                 -0.50113300   -7.18259900    2.30828200
 K                 -2.93604500   -5.78199500    1.56435700
 C                 -0.44309200   -8.01274700    1.47175900
 C                 -2.48109700   -5.77335400   -1.29936400
 K                 -0.04241600   -8.07645800   -1.44121300
 K                  0.10703600   -3.64948900   -2.60291100
 N                 -1.77046900   -5.74479100   -2.23956200
 C                  2.10273900   -5.57523500   -1.80598500
 N                  2.33661600   -6.38231300   -0.97868300

28 102 F

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

K 0
LanL2DZ

solventname=c60
eps=4.08
epsinf=3.83




