%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                 -3.66415300    4.07554300    1.84460600
 C                 -2.93939600    4.30593800    0.60636600
 C                 -3.64385500    4.58706300   -0.57000700
 C                 -5.09568200    4.63158600   -0.55606800
 C                 -5.78822100    4.40591300    0.63532900
 C                 -5.05748700    4.12858900    1.86182100
 C                 -2.96333100    3.05075800    2.59844300
 C                 -1.80504500    2.64145600    1.83965500
 C                 -1.78875200    3.42768300    0.58279100
 C                 -1.37410900    2.86003100   -0.60493700
 C                 -3.22753600    3.97196400   -1.80770300
 C                 -5.57583100    4.04322200   -1.79658300
 C                 -6.72752900    3.25180800   -1.79251100
 C                 -7.45066600    3.02452500   -0.55391900
 C                 -6.98685700    3.58812400    0.63726600
 C                 -7.00549200    2.81389000    1.86905800
 C                 -5.81412600    3.14717500    2.62576300
 C                 -5.14395200    2.15984600    3.35035400
 C                 -3.69396600    2.11318400    3.34266400
 C                 -1.42710000    1.31452300    1.83530000
 C                 -2.19328500    0.34511800    2.55662900
 C                 -3.29858800    0.72552800    3.32265600
 C                 -4.49707200   -0.10265200    3.34451500
 C                 -5.63776800    0.78779100    3.34284900
 C                 -6.79035500    0.46802500    2.61608100
 C                 -7.47720700    1.49843600    1.85965700
 C                 -7.95115800    0.90932900    0.61724900
 C                 -7.93825100    1.65525900   -0.56270600
 C                 -4.41885700    3.63216100   -2.57124200
 C                 -5.96222800   -0.70790500   -2.59393700
 C                 -5.24471700    0.23805000   -3.32946300
 C                 -3.79265000    0.20307900   -3.32845300
 C                 -3.10919800   -0.76606600   -2.58403600
 C                 -3.86112200   -1.74436900   -1.81698800
 C                 -5.98864700   -1.96559600   -0.60767000
 C                 -7.13902300   -1.08042200   -0.59328400
 C                 -7.12241400   -0.30228800   -1.82378700
 C                 -7.51718500    1.03746500   -1.80884700
 C                 -6.77078300    2.02420300   -2.57017200
 C                 -5.65658600    1.63177500   -3.31642800
 C                 -3.31001600    1.56246700   -3.32401900
 C                 -2.17239200    1.87702400   -2.57558000
 C                 -1.45344400    0.86101800   -1.85056800
 C                 -1.91211400   -0.43321500   -1.85178700
 C                 -3.13542200   -2.04018200   -0.60873500
 C                 -3.83649000   -2.26183000    0.57752300
 C                 -5.28956100   -2.21997200    0.57530500
 C                 -7.54603800   -0.48573400    0.60239100
 C                 -6.82336600   -0.75596100    1.83523300
 C                 -5.71734600   -1.60980200    1.82041700
 C                 -4.52117700   -1.27579200    2.58140000
 C                 -3.36218600   -1.71942800    1.83166800
 C                 -2.23003500   -0.87781100    1.75673700
 C                 -1.44135900   -0.70460800    0.59275900
 C                 -0.73402700    0.64719200    0.66295300
 C                 -0.70908800    1.49051700   -0.68463600
 C                 -4.45806200    2.45436700   -3.31748400
 C                 -2.12791400    3.10612400   -1.80452400
 C                 -5.26120600   -1.73538100   -1.84018600
 C                 -1.81049800   -1.34208800   -0.64262800
 C                 -0.61209300   -2.74538600   -1.18777400
 C                  3.90910000    2.08580900    3.29298300
 C                  5.36050700    2.04902500    3.29681600
 C                  6.08399500    2.95335800    2.51688900
 C                  5.38377100    3.93303900    1.70094700
 C                  3.98974100    3.95720500    1.68668600
 C                  3.23332500    3.01581300    2.49392500
 C                  3.42719900    0.72651400    3.35600100
 C                  4.57753400   -0.16523100    3.40073700
 C                  5.77520200    0.65624800    3.36348000
 C                  6.89394400    0.22577500    2.64682100
 C                  7.24715700    2.50613000    1.77589700
 C                  6.12416800    4.09964000    0.46005400
 C                  5.44070600    4.29973500   -0.74074000
 C                  3.98958300    4.34051600   -0.75155400
 C                  3.27518800    4.16340500    0.43944600
 C                  2.07526500    3.35587000    0.46367300
 C                  2.04762800    2.63257300    1.75775800
 C                  1.57201100    1.33941200    1.83684400
 C                  2.29122600    0.36918100    2.62102600
 C                  4.54558700   -1.38471800    2.72452300
 C                  3.36030200   -1.76648400    1.97193600
 C                  2.26044500   -0.90077300    1.91411600
 C                  1.52329300   -0.71452200    0.69192900
 C                  0.85032100    0.64664400    0.69108100
 C                  0.87442200    1.43379800   -0.69788300
 C                  1.62772700    2.75235000   -0.69231200
 C                  2.38267000    2.89295700   -1.90765200
 C                  3.53280900    3.68748200   -1.95514800
 C                  7.27095000    3.21398400    0.50402900
 C                  5.81101300    1.12898200   -3.33651700
 C                  6.94774400    1.49209500   -2.61159400
 C                  7.63784200    0.50566700   -1.79862900
 C                  7.16361300   -0.80651500   -1.74055000
 C                  5.98079100   -1.18340100   -2.48973300
 C                  3.86376200   -0.18632200   -3.27904200
 C                  3.46270200    1.19880700   -3.34472500
 C                  4.66346300    2.01947500   -3.38059600
 C                  4.69766300    3.23622900   -2.70058000
 C                  5.88028300    3.61632500   -1.94734700
 C                  6.98348300    2.76185200   -1.90328900
 C                  8.10001000    1.16384000   -0.58832500
 C                  8.07607100    0.48465200    0.63040000
 C                  7.58855400   -0.88294200    0.69229400
 C                  7.13841100   -1.51548000   -0.46858200
 C                  5.94012800   -2.33118300   -0.43127200
 C                  5.21930200   -2.12087600   -1.67829200
 C                  3.82523700   -2.05983500   -1.67337500
 C                  3.12848100   -1.07589200   -2.48659400
 C                  2.34557100    1.62448300   -2.61621400
 C                  1.56504900    0.69856100   -1.84029600
 C                  1.96551700   -0.61927000   -1.75592600
 C                  1.94677500   -1.33907800   -0.46011900
 C                  3.09427600   -2.21904700   -0.42770900
 C                  3.78773800   -2.44192600    0.76798700
 C                  5.23835700   -2.49018700    0.76669000
 C                  5.70883800   -1.83407500    1.97746900
 C                  6.85900400   -1.04390000    1.93824600
 C                  7.69441900    2.55800600   -0.65342500
 C                  7.64536300    1.16928600    1.83793100
 C                  5.31564000   -0.23718900   -3.27330300
 N                 -0.24598100   -3.85856400   -1.10230500
 K                  2.00351700   -5.58229600   -1.59914100
 N                  1.92302000   -5.89912500    1.27371900
 C                  0.04515900   -7.54417500   -2.51692700
 K                 -0.04704700   -3.98022100    2.08778500
 C                  1.60006400   -7.01904000    1.45633000
 N                 -0.99020900   -7.82830400   -2.02792400
 C                 -2.32434100   -5.77781300    1.95294000
 K                 -0.77532500   -8.61561500    0.76482100
 K                 -2.74150900   -5.60841600   -1.46702200
 N                 -2.79529200   -6.57703700    1.22466900

61 90 F

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

K 0
LanL2DZ

solventname=c60
eps=4.08
epsinf=3.83


