%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                 -3.60755500    4.47236400    0.30277900
 C                 -2.83757300    4.05310100   -0.85729800
 C                 -3.48445400    3.77070500   -2.06682300
 C                 -4.93004700    3.87150900   -2.15432200
 C                 -5.66919300    4.26367400   -1.03616500
 C                 -4.99552400    4.57630700    0.21465800
 C                 -2.99137700    3.90766200    1.49081400
 C                 -1.84362700    3.13703900    1.07529000
 C                 -1.74974700    3.22128300   -0.39985500
 C                 -1.34159700    2.13709100   -1.14786600
 C                 -3.06850600    2.62594900   -2.83995200
 C                 -5.40558800    2.78406400   -2.99700300
 C                 -6.60220900    2.13374400   -2.68488300
 C                 -7.37343200    2.54732200   -1.52513200
 C                 -6.91325700    3.58932800   -0.71400500
 C                 -7.01627800    3.49536800    0.73265100
 C                 -5.82988100    4.10378800    1.30906300
 C                 -5.24110900    3.55423800    2.44969400
 C                 -3.79812700    3.46069200    2.54992700
 C                 -1.56294700    1.94136700    1.70608400
 C                 -2.38445500    1.47148600    2.78525800
 C                 -3.48385100    2.21375300    3.21224000
 C                 -4.72702700    1.53530400    3.55007800
 C                 -5.81240100    2.35880100    3.06470100
 C                 -6.95707200    1.77648300    2.51090300
 C                 -7.56104300    2.35080100    1.31992500
 C                 -8.02411100    1.26268800    0.47710500
 C                 -7.93717000    1.35815900   -0.91437400
 C                 -4.25304800    2.00939700   -3.41673600
 C                 -6.04584000   -1.76499300   -1.48440300
 C                 -5.25602900   -1.30843700   -2.54041000
 C                 -3.81063100   -1.39757900   -2.44175700
 C                 -3.21005500   -1.93171800   -1.29261000
 C                 -4.03612600   -2.40582400   -0.19404400
 C                 -6.18943800   -1.92098600    0.85345700
 C                 -7.25889000   -1.07115800    0.38812900
 C                 -7.19155200   -0.98808300   -1.05843200
 C                 -7.51582600    0.20965800   -1.69786200
 C                 -6.69432000    0.68732700   -2.79501700
 C                 -5.58382400   -0.05731500   -3.20448400
 C                 -3.24862000   -0.21461200   -3.04710100
 C                 -2.11755100    0.37243800   -2.47194700
 C                 -1.48500000   -0.21413300   -1.32009600
 C                 -2.01028400   -1.35216200   -0.75537300
 C                 -3.37532400   -2.14808300    1.05073300
 C                 -4.10468800   -1.71501600    2.15386100
 C                 -5.54571800   -1.61173300    2.05509300
 C                 -7.68870500    0.01715400    1.14044400
 C                 -7.02843800    0.33269800    2.39520500
 C                 -5.97398000   -0.46841100    2.84072000
 C                 -4.78942200    0.13860300    3.42441800
 C                 -3.63521300   -0.64975300    3.04016200
 C                 -2.46794900    0.02026700    2.64967900
 C                 -1.64879400   -0.37660000    1.55172000
 C                 -1.04042600    0.76472300    0.98157200
 C                 -0.74635100    0.85804900   -0.53118600
 C                 -4.33942200    0.61979200   -3.52499300
 C                 -2.02700400    1.81914100   -2.36363900
 C                 -5.43132600   -2.34263300   -0.29887000
 C                 -1.92834900   -1.64794300    0.76662600
 C                  3.94522700    3.72976900    2.15943900
 C                  5.38736400    3.74956500    2.05561800
 C                  5.99837800    4.08763100    0.84510700
 C                  5.19694200    4.41187800   -0.32051100
 C                  3.80796200    4.37381600   -0.23214800
 C                  3.16149500    4.01943800    1.02737000
 C                  3.58259700    2.61327900    3.00855000
 C                  4.80167100    1.94687200    3.44725000
 C                  5.92153400    2.65337700    2.85445000
 C                  7.03633500    1.93884400    2.41297500
 C                  7.13057200    3.32255800    0.38785600
 C                  5.86685100    3.87610800   -1.49949800
 C                  5.12403600    3.33649700   -2.55017600
 C                  3.67617700    3.30421300   -2.46269300
 C                  3.03521400    3.80567500   -1.31999900
 C                  1.91662500    3.09919800   -0.74216000
 C                  1.98170600    3.24957000    0.72578400
 C                  1.65127700    2.15971700    1.53141500
 C                  2.46065100    1.84827300    2.69650100
 C                  4.84186300    0.55604400    3.57381200
 C                  3.66235400   -0.23660700    3.26339600
 C                  2.50363400    0.40667900    2.82449300
 C                  1.72512200   -0.14245200    1.73428100
 C                  1.07679600    0.93516400    1.00987200
 C                  0.81822100    0.81086100   -0.51340900
 C                  1.47566800    1.92796000   -1.32096000
 C                  2.15105400    1.38763700   -2.46214500
 C                  3.22395800    2.06658600   -3.04998800
 C                  7.07411200    3.20996900   -1.05819900
 C                  5.63958400   -0.73136400   -2.94188900
 C                  6.77394300    0.02510400   -2.64028000
 C                  7.57426900   -0.30082200   -1.47204700
 C                  7.21245100   -1.37246000   -0.65078900
 C                  6.03214000   -2.15402700   -0.96106200
 C                  3.81248200   -1.86762600   -1.99660800
 C                  3.29513400   -0.77984400   -2.79237600
 C                  4.42361300   -0.06964600   -3.38271500
 C                  4.38841300    1.31911600   -3.50568500
 C                  5.56693300    2.10849900   -3.19570600
 C                  6.73578900    1.47305900   -2.77037100
 C                  8.03345400    0.94338300   -0.88169600
 C                  8.10710100    1.06781900    0.50747900
 C                  7.74224000   -0.04615400    1.36412100
 C                  7.29702300   -1.24156700    0.79765200
 C                  6.17466500   -1.95013700    1.38474900
 C                  5.38634200   -2.50569900    0.29710800
 C                  3.99337700   -2.51879600    0.38167600
 C                  3.19199800   -2.18782900   -0.78241700
 C                  2.18260200   -0.06221200   -2.33234200
 C                  1.51030000   -0.42485000   -1.11177300
 C                  2.03114800   -1.44605700   -0.33574300
 C                  2.10950100   -1.33555600    1.13685300
 C                  3.32310300   -1.98686800    1.56319100
 C                  4.08906500   -1.46263000    2.62056100
 C                  5.53374500   -1.43160800    2.51611100
 C                  6.00210500   -0.18650500    3.11057700
 C                  7.08001700    0.49167200    2.54266500
 C                  7.50903900    2.03822800   -1.68007500
 C                  7.66618800    2.29012700    1.15444000
 C                  5.26127500   -1.84567000   -2.08538400
 C                 -0.95984300   -2.72990400    1.03619400
 N                 -0.22426700   -3.60415700    1.24576500
 K                  1.85915600   -5.50542500    1.68684000
 N                 -0.50498500   -7.16957800    2.29444100
 K                 -2.93011300   -5.75187800    1.55386000
 C                 -0.45095500   -8.00256600    1.46048700
 C                 -2.47008200   -5.74358000   -1.31065400
 K                 -0.04124900   -8.06210100   -1.45050100
 K                  0.12580800   -3.63948100   -2.62985100
 N                 -1.75792000   -5.72753300   -2.24998300
 C                  2.11533800   -5.56563600   -1.81533000
 N                  2.33519900   -6.36993500   -0.98154500

36 71 F

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

K 0
LanL2DZ

solventname=c60
eps=4.08
epsinf=3.83


