%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                 -3.66051900    4.08358500    1.83033300
 C                 -2.93605600    4.30969500    0.58922600
 C                 -3.63431600    4.58457600   -0.59485900
 C                 -5.08410500    4.61733700   -0.58716400
 C                 -5.76729200    4.37843600    0.60345200
 C                 -5.05155400    4.12598500    1.84118600
 C                 -2.96333700    3.06396900    2.59453800
 C                 -1.80336300    2.65452100    1.83904200
 C                 -1.78583600    3.43341700    0.57463300
 C                 -1.36902600    2.86367100   -0.61145200
 C                 -3.21643800    3.96664400   -1.83070900
 C                 -5.56421600    4.02423600   -1.82645000
 C                 -6.71220500    3.22568200   -1.82408000
 C                 -7.42692700    2.99025900   -0.58628500
 C                 -6.92754200    3.52293800    0.59531900
 C                 -6.98486200    2.79225100    1.84068200
 C                 -5.80961700    3.14654400    2.60873300
 C                 -5.14606600    2.16835500    3.34637900
 C                 -3.69563300    2.12821400    3.34358900
 C                 -1.42337400    1.32935600    1.84673000
 C                 -2.19098300    0.36138700    2.57385100
 C                 -3.30066400    0.74079100    3.33310900
 C                 -4.49931500   -0.09088100    3.35288900
 C                 -5.64151100    0.79496800    3.34166400
 C                 -6.79249800    0.46415500    2.61262300
 C                 -7.47207900    1.48559500    1.84225800
 C                 -7.94503000    0.89297600    0.60009700
 C                 -7.92676400    1.62932000   -0.58714000
 C                 -4.40607200    3.61735900   -2.59697400
 C                 -5.95197000   -0.73079400   -2.60275300
 C                 -5.23151500    0.21469300   -3.34136000
 C                 -3.77947800    0.18780600   -3.33672800
 C                 -3.10355600   -0.77040800   -2.57639400
 C                 -3.85770600   -1.74388900   -1.80593800
 C                 -5.98274800   -1.97951600   -0.60350800
 C                 -7.13404900   -1.09799100   -0.59882100
 C                 -7.11517800   -0.32708300   -1.83668300
 C                 -7.50916700    1.01164700   -1.83234100
 C                 -6.76020500    1.99799800   -2.59772600
 C                 -5.64292000    1.60821900   -3.33864500
 C                 -3.29518300    1.54837400   -3.33754900
 C                 -2.15900100    1.87346100   -2.58742100
 C                 -1.44646000    0.86554000   -1.84825900
 C                 -1.92130400   -0.41893600   -1.83485500
 C                 -3.14840900   -2.01153300   -0.58681300
 C                 -3.83810100   -2.25291800    0.59558000
 C                 -5.28860100   -2.22458600    0.58719700
 C                 -7.54290200   -0.50042100    0.59591000
 C                 -6.82513100   -0.76276000    1.83628300
 C                 -5.71755800   -1.61198700    1.83050100
 C                 -4.52332600   -1.26770800    2.59427400
 C                 -3.36240900   -1.70597300    1.84897100
 C                 -2.23235800   -0.86177500    1.77823100
 C                 -1.44795300   -0.68219200    0.61216200
 C                 -0.73205700    0.66042300    0.67471000
 C                 -0.70527700    1.49593400   -0.68007100
 C                 -4.44501400    2.43561000   -3.33872000
 C                 -2.11606800    3.10436000   -1.81868900
 C                 -5.25502500   -1.75177300   -1.83758700
 C                 -1.84649100   -1.29335100   -0.61386100
 C                 -0.69898700   -2.72506400   -1.19352000
 C                  3.91843100    2.08797500    3.29575600
 C                  5.36978300    2.04954200    3.29801100
 C                  6.09379100    2.95294100    2.51729100
 C                  5.39392600    3.93321400    1.70194900
 C                  3.99975400    3.95890900    1.68926100
 C                  3.24298200    3.01868000    2.49747400
 C                  3.43462900    0.72939100    3.35963400
 C                  4.58384600   -0.16373500    3.40315000
 C                  5.78257500    0.65629500    3.36461000
 C                  6.89991000    0.22450100    2.64680900
 C                  7.25620600    2.50471800    1.77554800
 C                  6.13361700    4.09927300    0.46053200
 C                  5.44843700    4.29933700   -0.73941900
 C                  3.99725600    4.34154700   -0.74864300
 C                  3.28380000    4.16571000    0.44297000
 C                  2.08263300    3.35972700    0.46874000
 C                  2.05578500    2.63674300    1.76292800
 C                  1.57843000    1.34425000    1.84287000
 C                  2.29727300    0.37322100    2.62626200
 C                  4.54933700   -1.38325900    2.72745900
 C                  3.36253900   -1.76393500    1.97628200
 C                  2.26333300   -0.89708100    1.91980000
 C                  1.52410200   -0.71057100    0.69848700
 C                  0.85323600    0.65229200    0.69863000
 C                  0.87800500    1.43804500   -0.69121400
 C                  1.63295600    2.75605100   -0.68649000
 C                  2.38697200    2.89553200   -1.90263900
 C                  3.53810600    3.68875500   -1.95148900
 C                  7.28115900    3.21374800    0.50382100
 C                  5.81141300    1.12748400   -3.33487200
 C                  6.94939400    1.48946900   -2.61125000
 C                  7.63913200    0.50243000   -1.79892200
 C                  7.16319300   -0.80913500   -1.74013000
 C                  5.97903300   -1.18479900   -2.48784800
 C                  3.86247000   -0.18563800   -3.27510000
 C                  3.46322000    1.19998100   -3.34062100
 C                  4.66494100    2.01930100   -3.37787800
 C                  4.70156300    3.23609800   -2.69815000
 C                  5.88558200    3.61505400   -1.94636700
 C                  6.98793500    2.75947500   -1.90332300
 C                  8.10388300    1.16049800   -0.58941100
 C                  8.08027100    0.48148100    0.62937500
 C                  7.59081300   -0.88551500    0.69204000
 C                  7.13846100   -1.51780900   -0.46804800
 C                  5.93916200   -2.33199700   -0.42923400
 C                  5.21720500   -2.12120500   -1.67553100
 C                  3.82311800   -2.05894100   -1.66926600
 C                  3.12669100   -1.07433100   -2.48188000
 C                  2.34753100    1.62688200   -2.61080100
 C                  1.56675500    0.70182800   -1.83391000
 C                  1.96443800   -0.61686200   -1.75029900
 C                  1.94512600   -1.33689300   -0.45425800
 C                  3.09243400   -2.21787900   -0.42279500
 C                  3.78772700   -2.44025100    0.77232300
 C                  5.23839200   -2.48997200    0.76934700
 C                  5.71116200   -1.83405300    1.97926600
 C                  6.86233900   -1.04530500    1.93863900
 C                  7.70042400    2.55542600   -0.65421800
 C                  7.65204400    1.16704200    1.83722300
 C                  5.31425600   -0.23802500   -3.27086600
 N                 -0.35704400   -3.84508900   -1.08582900
 K                  1.91042000   -5.53405100   -1.63985000
 N                  1.89701700   -5.88065600    1.23090300
 C                 -0.03673000   -7.53059700   -2.52525300
 K                 -0.06447400   -3.96634000    2.07167500
 C                  1.61038500   -7.00570000    1.44069900
 N                 -1.04174300   -7.81059300   -1.97440000
 C                 -2.34444300   -5.76789900    2.04087300
 K                 -0.78652700   -8.59218400    0.80874600
 K                 -2.81140300   -5.60758900   -1.40286800
 N                 -2.80614900   -6.55718400    1.29589800

15 61 F

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

K 0
LanL2DZ

solventname=c60
eps=4.08
epsinf=3.83




