%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                 -3.71548700    4.08921100    1.84315700
 C                 -2.98646800    4.32856000    0.60915000
 C                 -3.68786500    4.59844800   -0.57165700
 C                 -5.14033700    4.62256000   -0.56656400
 C                 -5.83679400    4.38843300    0.62083100
 C                 -5.10956600    4.12277600    1.85191500
 C                 -3.00476100    3.07560900    2.60270300
 C                 -1.83538300    2.68208200    1.85187500
 C                 -1.82266900    3.46717800    0.59375200
 C                 -1.39141700    2.90527600   -0.59105300
 C                 -3.25544800    3.98794900   -1.80609200
 C                 -5.60473600    4.02598700   -1.80910900
 C                 -6.74535900    3.21858900   -1.81100900
 C                 -7.47269500    2.98262000   -0.57650800
 C                 -7.02392800    3.55414100    0.61662700
 C                 -7.03895800    2.78104000    1.84914800
 C                 -5.85704700    3.13198100    2.61259200
 C                 -5.17750300    2.15513500    3.34253400
 C                 -3.72695700    2.12907500    3.34394000
 C                 -1.43748600    1.36074600    1.85278500
 C                 -2.19679700    0.38177000    2.56999600
 C                 -3.31195100    0.74710200    3.32865600
 C                 -4.49910400   -0.09811200    3.34340500
 C                 -5.65205100    0.77635000    3.33381100
 C                 -6.79559500    0.43944800    2.60051600
 C                 -7.49228700    1.45926600    1.83867700
 C                 -7.95061200    0.86197600    0.59433400
 C                 -7.94100700    1.60656900   -0.58643500
 C                 -4.43746600    3.63027700   -2.57628900
 C                 -5.91951600   -0.73100600   -2.60234100
 C                 -5.21122600    0.22399200   -3.33504500
 C                 -3.75894200    0.20936200   -3.32516600
 C                 -3.06667600   -0.74968700   -2.57555200
 C                 -3.80881000   -1.73801300   -1.81188600
 C                 -5.94036300   -1.98678100   -0.61468900
 C                 -7.10309200   -1.11763500   -0.60849900
 C                 -7.08993300   -0.34080800   -1.83983500
 C                 -7.50380200    0.99329300   -1.82915800
 C                 -6.76677000    1.98949500   -2.58725900
 C                 -5.64290300    1.61186600   -3.32652900
 C                 -3.29575700    1.57551100   -3.31966100
 C                 -2.16761600    1.90733200   -2.56425100
 C                 -1.44138900    0.90226800   -1.83254300
 C                 -1.87967500   -0.39909000   -1.83609200
 C                 -3.08538000   -2.02371400   -0.59913300
 C                 -3.79136000   -2.25285700    0.58360700
 C                 -5.24506400   -2.23029800    0.57265800
 C                 -7.52605600   -0.52735900    0.58382800
 C                 -6.80711600   -0.78589100    1.82125700
 C                 -5.68936300   -1.62451100    1.81437900
 C                 -4.50311300   -1.27305100    2.58258100
 C                 -3.33350200   -1.70151400    1.84003500
 C                 -2.21434800   -0.84225900    1.77112700
 C                 -1.42548600   -0.65818700    0.61039500
 C                 -0.73379300    0.70047000    0.68279000
 C                 -0.71062200    1.54350700   -0.66459200
 C                 -4.45610900    2.45126500   -3.32149200
 C                 -2.14338200    3.13828700   -1.79514900
 C                 -5.20862400   -1.74776200   -1.84311500
 C                 -1.77173700   -1.30531200   -0.62537200
 C                 -0.53605000   -2.68365300   -1.15059100
 C                  3.93985100    2.06130900    3.30163100
 C                  5.39049300    2.00169000    3.29569600
 C                  6.12172100    2.90107000    2.51792400
 C                  5.43116400    3.89832100    1.71455900
 C                  4.03797400    3.94499000    1.70961000
 C                  3.27301500    3.00850100    2.51450100
 C                  3.43845100    0.70872800    3.35641200
 C                  4.57530600   -0.20120400    3.38603800
 C                  5.78488600    0.60206000    3.34754100
 C                  6.89264500    0.16007900    2.62020500
 C                  7.27110600    2.44047600    1.76446000
 C                  6.16423500    4.06184900    0.46939500
 C                  5.47830800    4.28487600   -0.72544200
 C                  4.02825100    4.34897300   -0.72644200
 C                  3.31893900    4.17263500    0.46813000
 C                  2.10675900    3.38334800    0.49332500
 C                  2.07690200    2.65016400    1.78269100
 C                  1.58309600    1.36370600    1.85462600
 C                  2.29273900    0.37548200    2.62568800
 C                  4.52087400   -1.41451200    2.69956300
 C                  3.32544600   -1.77176100    1.95156100
 C                  2.23988900   -0.88728300    1.90757700
 C                  1.50043800   -0.67814700    0.69139300
 C                  0.84763900    0.69280900    0.70654500
 C                  0.87293600    1.48837600   -0.67693600
 C                  1.64116200    2.79811400   -0.66562600
 C                  2.39267100    2.93652500   -1.88442400
 C                  3.55450800    3.71335900   -1.93291300
 C                  7.29188200    3.15377000    0.49725700
 C                  5.78644700    1.13126500   -3.35087200
 C                  6.93293000    1.47047800   -2.63002300
 C                  7.61327700    0.46655800   -1.82955700
 C                  7.11987300   -0.83880600   -1.77915200
 C                  5.92675900   -1.19094000   -2.52411700
 C                  3.82019900   -0.15434900   -3.29157600
 C                  3.43975700    1.23725400   -3.34291800
 C                  4.65224200    2.03977100   -3.37988500
 C                  4.70808400    3.25013600   -2.68954300
 C                  5.90065200    3.60522100   -1.94050900
 C                  6.99082300    2.73317400   -1.91101300
 C                  8.09170400    1.10673400   -0.61618400
 C                  8.06548700    0.41810200    0.59740800
 C                  7.55827000   -0.94229100    0.65120900
 C                  7.09173400   -1.55780500   -0.51250200
 C                  5.88144700   -2.35539800   -0.47424500
 C                  5.15655600   -2.12367000   -1.71526100
 C                  3.76400700   -2.04009400   -1.70050500
 C                  3.07741700   -1.03907000   -2.50094500
 C                  2.33431400    1.67429200   -2.60286300
 C                  1.54858900    0.75388500   -1.82790300
 C                  1.92873100   -0.56987100   -1.75773500
 C                  1.90695100   -1.29868400   -0.46836300
 C                  3.03924000   -2.19749900   -0.45111700
 C                  3.73575900   -2.44203100    0.73839100
 C                  5.18492700   -2.51358300    0.72730800
 C                  5.67252700   -1.87539500    1.94102600
 C                  6.83422800   -1.10266500    1.90090600
 C                  7.70445000    2.50621900   -0.66729800
 C                  7.65212400    1.09852200    1.81355900
 C                  5.27110700   -0.22789600   -3.29562100
 N                 -0.20805000   -3.80987500   -1.07548400
 K                  2.06684300   -5.52796300   -1.48392300
 N                  1.92063200   -5.86437300    1.37979000
 C                  0.15264800   -7.51205300   -2.46158000
 K                 -0.08053000   -3.95267400    2.12596600
 C                  1.58905100   -6.98494300    1.54136700
 N                 -0.88590000   -7.79449000   -1.97838400
 C                 -2.33998600   -5.76902300    1.95538300
 K                 -0.76336100   -8.59708200    0.80638100
 K                 -2.66259200   -5.57979900   -1.47221900
 N                 -2.79843000   -6.56035800    1.21067000

61 90 F

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

K 0
LanL2DZ

solventname=c60
eps=4.08
epsinf=3.83


