%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                 -3.65600100    4.08053300    1.83003100
 C                 -2.93142200    4.30631200    0.59089700
 C                 -3.63552900    4.58728800   -0.58577700
 C                 -5.08711200    4.63625800   -0.57113200
 C                 -5.77948300    4.41497100    0.62110400
 C                 -5.04909600    4.13793200    1.84781800
 C                 -2.95801000    3.05489200    2.58543200
 C                 -1.80137500    2.64038600    1.82670200
 C                 -1.78366600    3.42446600    0.56849000
 C                 -1.37235500    2.85295600   -0.61826900
 C                 -3.22193700    3.96843200   -1.82251400
 C                 -5.56985700    4.04695300   -1.81024200
 C                 -6.72396700    3.25915500   -1.80396700
 C                 -7.44691900    3.03646100   -0.56450200
 C                 -6.98015600    3.60047600    0.62517100
 C                 -7.00106100    2.82928900    1.85861400
 C                 -5.80840400    3.16048300    2.61413000
 C                 -5.14106300    2.17260600    3.34046100
 C                 -3.69119200    2.12127800    3.33202900
 C                 -1.42695000    1.31235800    1.82494000
 C                 -2.19634100    0.34695700    2.54883700
 C                 -3.30018800    0.73240200    3.31465500
 C                 -4.50141700   -0.09190500    3.33874000
 C                 -5.63932400    0.80217300    3.33597800
 C                 -6.79320900    0.48453600    2.61036000
 C                 -7.47728800    1.51551100    1.85221700
 C                 -7.95381800    0.92546400    0.61125700
 C                 -7.93911600    1.66893200   -0.57025100
 C                 -4.41465900    3.63076300   -2.58474500
 C                 -5.97200600   -0.70452700   -2.59786800
 C                 -5.25158000    0.23766100   -3.33544600
 C                 -3.79963700    0.19802100   -3.33539000
 C                 -3.11893700   -0.77178800   -2.58942100
 C                 -3.87396200   -1.74615500   -1.82010900
 C                 -6.00148600   -1.95823000   -0.60900300
 C                 -7.14886300   -1.06923200   -0.59574200
 C                 -7.13045100   -0.29365200   -1.82787300
 C                 -7.52080000    1.04735100   -1.81541400
 C                 -6.77160400    2.03015600   -2.57914400
 C                 -5.65899200    1.63271000   -3.32506400
 C                 -3.31256600    1.55594700   -3.33393300
 C                 -2.17331000    1.86856000   -2.58702000
 C                 -1.45640800    0.85173300   -1.86052900
 C                 -1.92002500   -0.44119000   -1.85866400
 C                 -3.14983800   -2.04015500   -0.61105300
 C                 -3.84994200   -2.25912600    0.57569700
 C                 -5.30268200   -2.21251700    0.57429400
 C                 -7.55321600   -0.47090500    0.59901500
 C                 -6.83078900   -0.74096700    1.83205800
 C                 -5.72755300   -1.59840500    1.81850600
 C                 -4.53002200   -1.26664200    2.57835700
 C                 -3.37266600   -1.71543400    1.82879700
 C                 -2.23839500   -0.87718200    1.75138200
 C                 -1.45022400   -0.70828400    0.58568900
 C                 -0.73681800    0.63996500    0.65275200
 C                 -0.71015800    1.48227900   -0.69564000
 C                 -4.45784600    2.45146100   -3.32841100
 C                 -2.12511400    3.09905600   -1.81826600
 C                 -5.27405900   -1.73273900   -1.84236600
 C                 -1.82322300   -1.34650200   -0.64703900
 C                 -0.63646700   -2.76443100   -1.17965700
 C                  3.90375300    2.05836000    3.29299700
 C                  5.35516100    2.02252600    3.29859400
 C                  6.07938500    2.93220100    2.52536300
 C                  5.37973700    3.91646300    1.71456200
 C                  3.98554500    3.93960300    1.69843700
 C                  3.22858400    2.99284900    2.49877900
 C                  3.42236900    0.69848000    3.34694700
 C                  4.57305600   -0.19287500    3.38765100
 C                  5.77036800    0.62958200    3.35724500
 C                  6.89026400    0.20445600    2.63940200
 C                  7.24440100    2.49084100    1.78360600
 C                  6.12225200    4.09188500    0.47607700
 C                  5.43964900    4.29832700   -0.72429200
 C                  3.98837300    4.33783800   -0.73695600
 C                  3.27226100    4.15291400    0.45164800
 C                  2.07250200    3.34458600    0.46914200
 C                  2.04403600    2.61348300    1.75874000
 C                  1.56931500    1.31965500    1.82904900
 C                  2.28753000    0.34502300    2.60833400
 C                  4.54240500   -1.40807800    2.70379600
 C                  3.35825800   -1.78578500    1.94712900
 C                  2.25782000   -0.92060000    1.89348000
 C                  1.52160400   -0.72739500    0.67149500
 C                  0.84809500    0.63388100    0.67883200
 C                  0.87370400    1.42807600   -0.70636800
 C                  1.62640200    2.74768200   -0.69109000
 C                  2.38346000    2.89637100   -1.90423300
 C                  3.53338700    3.69186000   -1.94498900
 C                  7.27126400    3.20811700    0.51654100
 C                  5.81504600    1.14391800   -3.33918300
 C                  6.95052800    1.50333800   -2.61037300
 C                  7.64004400    0.51237000   -1.80271200
 C                  7.16644300   -0.80045000   -1.75365700
 C                  5.98493300   -1.17355000   -2.50689500
 C                  3.86836700   -0.17311500   -3.29286300
 C                  3.46668500    1.21215000   -3.35030300
 C                  4.66698500    2.03383400   -3.37931100
 C                  4.69958600    3.24621500   -2.69160600
 C                  5.88105900    3.62255200   -1.93446100
 C                  6.98490800    2.76881000   -1.89416000
 C                  8.10049300    1.16346400   -0.58779500
 C                  8.07513600    0.47655000    0.62654200
 C                  7.58803300   -0.89169800    0.67909600
 C                  7.13994700   -1.51738600   -0.48627500
 C                  5.94187200   -2.33382600   -0.45576400
 C                  5.22265200   -2.11657700   -1.70261200
 C                  3.82839000   -2.05699700   -1.69988800
 C                  3.13222400   -1.06824200   -2.50735300
 C                  2.34820100    1.63234500   -2.62078100
 C                  1.56700000    0.70094100   -1.85202700
 C                  1.96773100   -0.61726900   -1.77549200
 C                  1.94704200   -1.34476900   -0.48412000
 C                  3.09552200   -2.22406000   -0.45592900
 C                  3.78806100   -2.45296300    0.73964900
 C                  5.23863300   -2.50079600    0.74016500
 C                  5.70707300   -1.85196500    1.95568600
 C                  6.85682700   -1.06085600    1.92296000
 C                  7.69474200    2.55808600   -0.64465800
 C                  7.64257300    1.15352800    1.83769900
 C                  5.32029000   -0.22289100   -3.28530700
 N                 -0.26610600   -3.87139100   -1.04379700
 K                  2.05727100   -5.52247100   -1.44888900
 N                  1.95657300   -5.83599300    1.42304600
 C                  0.12418800   -7.51140900   -2.37549400
 K                 -0.08425000   -3.95881200    2.12342100
 C                  1.61127000   -6.95317100    1.57976500
 N                 -0.93771400   -7.82622800   -1.96920800
 C                 -2.33226100   -5.79385900    1.94271000
 K                 -0.72642400   -8.58971300    0.84259900
 K                 -2.73163200   -5.62936100   -1.43239000
 N                 -2.83341200   -6.61723300    1.26309100

15 61 F

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

K 0
LanL2DZ

solventname=c60
eps=4.08
epsinf=3.83



