%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                 -3.46314000    4.46682800   -0.25594500
 C                 -2.75759300    3.86692700   -1.37788800
 C                 -3.46058300    3.44643800   -2.51489700
 C                 -4.90487800    3.58478800   -2.56014200
 C                 -5.58322600    4.15073600   -1.47788800
 C                 -4.84931200    4.60545400   -0.30595700
 C                 -2.81612400    4.04297800    0.97386200
 C                 -1.71587000    3.17485400    0.62157900
 C                 -1.68253000    3.06532500   -0.85494400
 C                 -1.34585300    1.87680100   -1.46466100
 C                 -3.11099000    2.19558000   -3.14227100
 C                 -5.44658800    2.41190900   -3.23030800
 C                 -6.64660400    1.85144100   -2.78622600
 C                 -7.35493000    2.44481700   -1.66452300
 C                 -6.83158600    3.57021700   -1.01964900
 C                 -6.87741800    3.67615400    0.42951200
 C                 -5.64967200    4.31304600    0.87323500
 C                 -5.03123100    3.90265600    2.05615000
 C                 -3.58948700    3.77016000    2.11310200
 C                 -1.44232300    2.06853400    1.40029600
 C                 -2.23061000    1.78212800    2.56576100
 C                 -3.28484400    2.61458700    2.93028300
 C                 -4.53253200    2.03205000    3.40483100
 C                 -5.61035000    2.82263800    2.85117300
 C                 -6.79396600    2.21324100    2.42613300
 C                 -7.42888500    2.64183900    1.18863900
 C                 -7.95266800    1.46668500    0.51813300
 C                 -7.92446700    1.36933500   -0.87563000
 C                 -4.33577200    1.54798000   -3.58449600
 C                 -6.14512100   -1.86713800   -1.08645000
 C                 -5.38995100   -1.58530500   -2.22465000
 C                 -3.94532700   -1.71045000   -2.16754100
 C                 -3.31320400   -2.10386200   -0.97885500
 C                 -4.10733800   -2.40252400    0.20422700
 C                 -6.18979800   -1.69911100    1.25619000
 C                 -7.22510000   -0.86456600    0.71665300
 C                 -7.23906700   -0.99251900   -0.72515000
 C                 -7.56666900    0.11254500   -1.51051700
 C                 -6.78236800    0.40762400   -2.69465600
 C                 -5.71092800   -0.42406200   -3.03889800
 C                 -3.37525300   -0.64164100   -2.95018200
 C                 -2.20115700   -0.02551300   -2.50711600
 C                 -1.52733600   -0.47442400   -1.31184000
 C                 -2.07348400   -1.50415900   -0.57223300
 C                 -3.39587100   -2.00714500    1.38139600
 C                 -4.06327000   -1.40358900    2.44869400
 C                 -5.49969200   -1.25841900    2.38704600
 C                 -7.61914100    0.31493800    1.33229000
 C                 -6.90883200    0.77032600    2.51110700
 C                 -5.86669400   -0.00502200    3.02618700
 C                 -4.64396700    0.63303700    3.48086100
 C                 -3.53330600   -0.24394700    3.16633400
 C                 -2.37541100    0.33106500    2.63264100
 C                 -1.65817200   -0.23467400    1.54654700
 C                 -1.02797700    0.77622700    0.81027800
 C                 -0.74830900    0.69052300   -0.70292200
 C                 -4.46249000    0.16012400   -3.49483100
 C                 -2.07505700    1.42168300   -2.60216400
 C                 -5.50104300   -2.30482900    0.14294100
 C                 -1.95518300   -1.59670200    0.97447000
 C                  3.68509800    3.19135200    2.64827200
 C                  5.12253900    3.30055600    2.60397700
 C                  5.73796000    3.90405900    1.50447100
 C                  4.96121600    4.41929700    0.39136400
 C                  3.57771000    4.29621500    0.41419600
 C                  2.92402600    3.66358200    1.55685400
 C                  3.37055900    1.90760800    3.24258300
 C                  4.61161000    1.22692800    3.58784100
 C                  5.70193800    2.09541900    3.19106400
 C                  6.86444900    1.53843400    2.65665900
 C                  6.90281000    3.28547500    0.94522700
 C                  5.69458600    4.15892000   -0.84362300
 C                  5.01880100    3.80385400   -2.01170100
 C                  3.57393900    3.67849300   -1.98972000
 C                  2.87426500    3.91025300   -0.79589200
 C                  1.79140700    3.03868500   -0.41116500
 C                  1.81281500    2.90946800    1.05816500
 C                  1.55804600    1.65645600    1.60625800
 C                  2.31403700    1.15779900    2.73395500
 C                  4.72877600   -0.15887200    3.43426300
 C                  3.60790900   -0.93510000    2.92397600
 C                  2.42752800   -0.27708400    2.57638700
 C                  1.71557200   -0.63372300    1.36295900
 C                  1.08402500    0.54891400    0.82612900
 C                  0.82395200    0.68348100   -0.68376900
 C                  1.43430000    1.98152800   -1.22540000
 C                  2.16947200    1.71710300   -2.42451100
 C                  3.21425800    2.55784000   -2.82414300
 C                  6.91647900    3.47282900   -0.49179300
 C                  5.78775500   -0.07454600   -3.17556800
 C                  6.86618000    0.66453500   -2.68640700
 C                  7.65009100    0.15431200   -1.57363100
 C                  7.32999400   -1.07770000   -0.99554500
 C                  6.20686400   -1.84053400   -1.50148400
 C                  4.00575400   -1.47327800   -2.55187700
 C                  3.44782900   -0.27565800   -3.13557900
 C                  4.54830200    0.59742900   -3.52508700
 C                  4.43349700    1.97871500   -3.37196600
 C                  5.55321600    2.75240400   -2.86682400
 C                  6.74471200    2.10581300   -2.52898900
 C                  8.01398900    1.27719900   -0.72990000
 C                  8.03641300    1.12471500    0.65823400
 C                  7.71875000   -0.15546200    1.26340600
 C                  7.36311700   -1.23484300    0.45290500
 C                  6.26816400   -2.10380200    0.84240100
 C                  5.54604400   -2.46998400   -0.36555500
 C                  4.15620800   -2.57464500   -0.34432100
 C                  3.37088800   -2.06556100   -1.45275200
 C                  2.28006200    0.27411500   -2.59063400
 C                  1.59283500   -0.36525900   -1.49933000
 C                  2.15378400   -1.49062300   -0.91691800
 C                  2.18797900   -1.66242700    0.55165500
 C                  3.42226500   -2.32027600    0.89012400
 C                  4.12382200   -1.98294800    2.06622100
 C                  5.56639500   -1.85733600    2.02845300
 C                  5.94196700   -0.73364700    2.87775000
 C                  6.99355500    0.09950400    2.49955400
 C                  7.44703800    2.47896800   -1.31563200
 C                  7.49833400    2.16434900    1.51496100
 C                  5.45280200   -1.35629200   -2.57407200
 C                 -0.98893400   -2.63530900    1.38940000
 N                 -0.26738600   -3.47409300    1.74330900
 K                  1.92700000   -5.34148500    1.90519500
 N                 -0.28300300   -7.12637400    2.64411100
 K                 -2.75128100   -5.73419900    2.08597900
 C                 -0.27124400   -7.99806100    1.84895800
 C                 -2.48519200   -5.73553000   -0.80678300
 K                 -0.04415200   -8.04040400   -1.08081900
 K                 -0.11633500   -3.72631700   -2.65170200
 N                 -1.88338100   -5.77575400   -1.81960500
 C                  1.96906900   -5.46998600   -1.68161500
 N                  2.22992100   -6.18254100   -0.77944700

36 71 F

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

K 0
LanL2DZ

solventname=c60
eps=4.08
epsinf=3.83


