%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                 -3.67299700    4.08584200    1.83122000
 C                 -2.94786100    4.31512700    0.59020000
 C                 -3.64292700    4.58598400   -0.59787700
 C                 -5.09191300    4.60697400   -0.59501800
 C                 -5.77110000    4.35638300    0.59380400
 C                 -5.06315800    4.11717600    1.83729900
 C                 -2.97439100    3.07044800    2.59952300
 C                 -1.81081000    2.66722300    1.84657700
 C                 -1.79399500    3.44490500    0.57989400
 C                 -1.37153400    2.87839600   -0.60586200
 C                 -3.22006700    3.97061200   -1.83333800
 C                 -5.56775700    4.01149700   -1.83525400
 C                 -6.71070600    3.20486300   -1.83657600
 C                 -7.42142000    2.96014300   -0.60017600
 C                 -6.90943300    3.47862100    0.57821500
 C                 -6.98348400    2.76606100    1.82825800
 C                 -5.81882400    3.13422500    2.60402300
 C                 -5.15527800    2.16201800    3.34726800
 C                 -3.70453600    2.13130300    3.34847400
 C                 -1.42395300    1.34477300    1.85877200
 C                 -2.18957000    0.37305600    2.58584600
 C                 -3.30387600    0.74577700    3.34085400
 C                 -4.49904400   -0.09283600    3.35660100
 C                 -5.64563400    0.78589500    3.34098100
 C                 -6.79346400    0.44617700    2.60883000
 C                 -7.47294600    1.46176500    1.83262700
 C                 -7.94111400    0.86739000    0.58900300
 C                 -7.92191700    1.60126200   -0.60039900
 C                 -4.40638900    3.61303800   -2.60304400
 C                 -5.93527500   -0.74549600   -2.60996800
 C                 -5.21648100    0.20412200   -3.34757200
 C                 -3.76438700    0.18747200   -3.33935300
 C                 -3.08919900   -0.76368100   -2.57175500
 C                 -3.84116700   -1.73943600   -1.80231500
 C                 -5.96558200   -1.99359100   -0.60649200
 C                 -7.12081000   -1.11859500   -0.60651200
 C                 -7.10253600   -0.34903700   -1.84665600
 C                 -7.50186200    0.98747400   -1.84573900
 C                 -6.75482700    1.97818900   -2.61048800
 C                 -5.63354600    1.59576700   -3.34814600
 C                 -3.28506500    1.55062600   -3.33981500
 C                 -2.15213800    1.88428900   -2.58657300
 C                 -1.44008900    0.88218600   -1.84106800
 C                 -1.91713900   -0.39929000   -1.82335900
 C                 -3.14020300   -1.99254500   -0.57755100
 C                 -3.82466900   -2.24923100    0.60161600
 C                 -5.27416500   -2.23323100    0.58841000
 C                 -7.53468700   -0.52347300    0.58819300
 C                 -6.81978300   -0.78093300    1.83259700
 C                 -5.70789700   -1.62322600    1.83127700
 C                 -4.51722900   -1.27033900    2.59856900
 C                 -3.35236400   -1.70019500    1.85631200
 C                 -2.22733000   -0.84904500    1.79018600
 C                 -1.44547000   -0.66057000    0.62429300
 C                 -0.73022000    0.67985800    0.68643000
 C                 -0.70379300    1.51385700   -0.67036500
 C                 -4.43943700    2.43061400   -3.34470200
 C                 -2.11555600    3.11503000   -1.81712100
 C                 -5.23697200   -1.76160900   -1.84003900
 C                 -1.85241900   -1.25918300   -0.59837000
 C                 -0.72397900   -2.69775300   -1.19812100
 C                  3.93168800    2.08809700    3.29884400
 C                  5.38290400    2.04341800    3.29756300
 C                  6.10890600    2.94447000    2.51595900
 C                  5.41125900    3.92849100    1.70317100
 C                  4.01713700    3.96015600    1.69384900
 C                  3.25826900    3.02249000    2.50309100
 C                  3.44224300    0.73148700    3.36261300
 C                  4.58776200   -0.16659600    3.40260600
 C                  5.78991400    0.64835000    3.36187400
 C                  6.90369700    0.21244500    2.64101900
 C                  7.26765400    2.49194600    1.77100700
 C                  6.14871200    4.09252900    0.46014800
 C                  5.46150400    4.29667000   -0.73798700
 C                  4.01043800    4.34503200   -0.74367700
 C                  3.29899600    4.17117200    0.44947500
 C                  2.09434100    3.37026600    0.47734100
 C                  2.06753400    2.64633800    1.77112500
 C                  1.58491900    1.35581400    1.85111800
 C                  2.30164600    0.38089200    2.63166000
 C                  4.54644500   -1.38540500    2.72583700
 C                  3.35623500   -1.76031400    1.97700700
 C                  2.26073500   -0.88851900    1.92392100
 C                  1.51987400   -0.69757400    0.70452700
 C                  0.85465200    0.66821000    0.70781300
 C                  0.87938700    1.45458400   -0.68152800
 C                  1.63892800    2.76990200   -0.67740100
 C                  2.39124000    2.90701700   -1.89504300
 C                  3.54563100    3.69524400   -1.94601300
 C                  7.29259700    3.20205900    0.49986500
 C                  5.80489700    1.12559500   -3.33727700
 C                  6.94607800    1.48207500   -2.61600500
 C                  7.63356700    0.49134200   -1.80624000
 C                  7.15212700   -0.81827200   -1.74749900
 C                  5.96451700   -1.18824400   -2.49266000
 C                  3.85047200   -0.17936300   -3.27401900
 C                  3.45708800    1.20803700   -3.33718100
 C                  4.66212000    2.02226300   -3.37665300
 C                  4.70540500    3.23828800   -2.69590000
 C                  5.89283900    3.61157600   -1.94662500
 C                  6.99168300    2.75125700   -1.90700500
 C                  8.10398100    1.14630700   -0.59721700
 C                  8.08037100    0.46625200    0.62101300
 C                  7.58524300   -0.89870800    0.68359500
 C                  7.12736100   -1.52799000   -0.47599000
 C                  5.92466200   -2.33707900   -0.43508200
 C                  5.20056000   -2.12205700   -1.67932400
 C                  3.80694400   -2.05413200   -1.66966100
 C                  3.11295300   -1.06582900   -2.47977400
 C                  2.34520800    1.63912400   -2.60407400
 C                  1.56306100    0.71668200   -1.82595700
 C                  1.95456100   -0.60400300   -1.74491100
 C                  1.93506000   -1.32520600   -0.44959900
 C                  3.07851900   -2.21115800   -0.42175000
 C                  3.77571000   -2.43723600    0.77137900
 C                  5.22608000   -2.49318300    0.76497700
 C                  5.70459200   -1.84048200    1.97443900
 C                  6.85901900   -1.05653800    1.93180000
 C                  7.70623000    2.54298600   -0.65977600
 C                  7.65788900    1.15252400    1.83049300
 C                  5.30206100   -0.23790200   -3.27334500
 N                 -0.39726600   -3.82228300   -1.08602600
 K                  1.87239400   -5.50472800   -1.65122500
 N                  1.88038500   -5.86562800    1.21598900
 C                 -0.06660100   -7.50924200   -2.54220700
 K                 -0.07404200   -3.95290900    2.06579800
 C                  1.60075900   -6.99279300    1.42380500
 N                 -1.05798800   -7.78670600   -1.96587600
 C                 -2.34342400   -5.76614300    2.07847600
 K                 -0.79691600   -8.57746600    0.80806800
 K                 -2.82939300   -5.59236900   -1.37589600
 N                 -2.80871600   -6.54192000    1.32161300

15 61 F

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

K 0
LanL2DZ

solventname=c60
eps=4.08
epsinf=3.83





