%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                 -3.60981700    4.46740700    0.35288300
 C                 -2.82499600    4.06156100   -0.80201600
 C                 -3.45357200    3.79085400   -2.02468100
 C                 -4.89672800    3.89190700   -2.13110700
 C                 -5.64987600    4.27399600   -1.01740000
 C                 -4.99587600    4.57261600    0.24701300
 C                 -3.01052200    3.88821500    1.54327500
 C                 -1.85687900    3.12339300    1.13520300
 C                 -1.74459700    3.22463000   -0.33768100
 C                 -1.33261200    2.14719000   -1.09094000
 C                 -3.02704300    2.65391000   -2.80542100
 C                 -5.35826500    2.81263900   -2.99419700
 C                 -6.55405400    2.15481200   -2.70248200
 C                 -7.33029800    2.55404600   -1.54415900
 C                 -6.89359900    3.59138800   -0.71756300
 C                 -7.02009400    3.47977100    0.72590900
 C                 -5.84491600    4.08467800    1.32484200
 C                 -5.27300200    3.52196500    2.46753300
 C                 -3.83127600    3.42825900    2.58621800
 C                 -1.58021500    1.92218400    1.75797800
 C                 -2.41846200    1.43808400    2.81826200
 C                 -3.52519400    2.17391400    3.23799100
 C                 -4.77232800    1.49060600    3.55009300
 C                 -5.85176900    2.31858600    3.06040300
 C                 -6.98802400    1.73944100    2.48598000
 C                 -7.56992100    2.32668800    1.29328300
 C                 -8.01573200    1.24561400    0.43446900
 C                 -7.87213600    1.35549900   -0.94709500
 C                 -4.20094500    2.04163100   -3.40675200
 C                 -6.02708400   -1.76026200   -1.53357000
 C                 -5.21981300   -1.28855300   -2.57306100
 C                 -3.77664200   -1.37603200   -2.45580900
 C                 -3.19349600   -1.92037500   -1.30361800
 C                 -4.03501700   -2.40665300   -0.22281700
 C                 -6.21473300   -1.94602000    0.80024800
 C                 -7.30457000   -1.11052300    0.33073900
 C                 -7.18528500   -0.99584400   -1.11636900
 C                 -7.47576400    0.21616700   -1.74447800
 C                 -6.64599600    0.70829200   -2.82855600
 C                 -5.53400100   -0.03153600   -3.23317600
 C                 -3.20472300   -0.18727100   -3.04309700
 C                 -2.08379300    0.39599400   -2.44570800
 C                 -1.46994700   -0.20042100   -1.28957000
 C                 -2.00116700   -1.34444800   -0.74464900
 C                 -3.38816100   -2.16156400    1.03120000
 C                 -4.13537500   -1.74120200    2.12497600
 C                 -5.57758800   -1.64269700    2.00964200
 C                 -7.71035300   -0.01163600    1.08850300
 C                 -7.06330100    0.29481800    2.35449000
 C                 -6.01232200   -0.50768400    2.80295900
 C                 -4.83390000    0.09599800    3.40651600
 C                 -3.67466800   -0.68480200    3.02654500
 C                 -2.49918600   -0.01108200    2.66374500
 C                 -1.65689500   -0.39466500    1.57749200
 C                 -1.03869700    0.75588800    1.02876900
 C                 -0.74403400    0.86597300   -0.48251600
 C                 -4.28615000    0.65178700   -3.52991900
 C                 -1.99515200    1.84128800   -2.32155000
 C                 -5.43094200   -2.34696100   -0.34479500
 C                 -1.93577500   -1.65670600    0.77322400
 C                  3.99345500    3.75819100    2.13425400
 C                  5.43599200    3.77289300    2.01551700
 C                  6.04440200    4.10324600    0.79838200
 C                  5.22458100    4.41280800   -0.35981300
 C                  3.83452600    4.37961400   -0.25558600
 C                  3.19728800    4.04160400    1.01183100
 C                  3.62841800    2.65388600    2.99877900
 C                  4.84573200    1.98466300    3.43269000
 C                  5.96521400    2.68026500    2.82213100
 C                  7.06791400    1.95501300    2.37457000
 C                  7.18845800    3.34446100    0.33424800
 C                  5.87603700    3.86294900   -1.54203900
 C                  5.11391600    3.31660200   -2.57781700
 C                  3.66709100    3.29362200   -2.47303400
 C                  3.04349300    3.80833000   -1.32797900
 C                  1.92476900    3.11523000   -0.73221800
 C                  2.00656300    3.27683100    0.73280100
 C                  1.66930000    2.19996600    1.55362600
 C                  2.49522800    1.89456400    2.70901000
 C                  4.87541500    0.59457700    3.57293000
 C                  3.68777300   -0.19322700    3.28305300
 C                  2.52876300    0.45386800    2.85118300
 C                  1.73286200   -0.10187800    1.77697200
 C                  1.07450200    0.97102100    1.05303200
 C                  0.81617100    0.83351700   -0.46957600
 C                  1.46816000    1.94222800   -1.29423900
 C                  2.12662800    1.38839800   -2.43905500
 C                  3.19711300    2.05490400   -3.04515700
 C                  7.09090800    3.20096200   -1.11259300
 C                  5.59125800   -0.76025900   -2.94320500
 C                  6.73290300   -0.00747300   -2.66166000
 C                  7.53916200   -0.32883000   -1.49869200
 C                  7.18133100   -1.39091300   -0.66299400
 C                  5.99513900   -2.16934500   -0.95230200
 C                  3.76799000   -1.87522700   -1.96500300
 C                  3.24982900   -0.79067900   -2.76517200
 C                  4.37539200   -0.09309900   -3.37539600
 C                  4.34932500    1.29534500   -3.50938700
 C                  5.53702800    2.08053400   -3.22061100
 C                  6.70536600    1.44121700   -2.80410100
 C                  8.00667700    0.91915200   -0.92608600
 C                  8.06445400    1.05653400    0.45787700
 C                  7.72875900   -0.04638600    1.33139500
 C                  7.28020100   -1.24737400    0.78332200
 C                  6.16489400   -1.94579700    1.39178700
 C                  5.36187900   -2.50632300    0.31751400
 C                  3.97039700   -2.50724800    0.41878300
 C                  3.15957800   -2.18113800   -0.74002200
 C                  2.15024500   -0.05992900   -2.29669900
 C                  1.49448300   -0.40725600   -1.06404100
 C                  2.01074500   -1.42679400   -0.28581600
 C                  2.10370300   -1.30273400    1.18517400
 C                  3.31770300   -1.95834000    1.60315600
 C                  4.09863800   -1.42895900    2.64707600
 C                  5.54156300   -1.40936900    2.52572100
 C                  6.02427100   -0.16115900    3.10373300
 C                  7.09648400    0.50679300    2.51586400
 C                  7.49490400    2.01357500   -1.72924900
 C                  7.68364900    2.29280800    1.10379800
 C                  5.21507100   -1.86447100   -2.07153700
 C                 -0.96823500   -2.74010700    1.03972100
 N                 -0.22917600   -3.61237800    1.24532700
 K                  1.85849400   -5.50844100    1.68746100
 N                 -0.50111900   -7.17270600    2.31156500
 K                 -2.93283700   -5.76529400    1.56578400
 C                 -0.44434800   -8.00023100    1.47239600
 C                 -2.48015600   -5.76478400   -1.29819600
 K                 -0.04663100   -8.06901000   -1.44039500
 K                  0.10819500   -3.63952200   -2.60664600
 N                 -1.77354200   -5.72842300   -2.24109100
 C                  2.09717200   -5.57105900   -1.80800800
 N                  2.33899500   -6.37719200   -0.98210000

28 102 F

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

K 0
LanL2DZ

solventname=c60
eps=4.08
epsinf=3.83




