%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                 -3.65732400    4.08172800    1.83077500
 C                 -2.93307300    4.30772300    0.59001100
 C                 -3.63300700    4.58439500   -0.59201700
 C                 -5.08320200    4.62154300   -0.58223400
 C                 -5.76845300    4.38714000    0.60890500
 C                 -5.04883000    4.12818100    1.84368100
 C                 -2.96008900    3.06039200    2.59254900
 C                 -1.80132200    2.64950400    1.83589400
 C                 -1.78373700    3.42976100    0.57308500
 C                 -1.36874300    2.85955100   -0.61332300
 C                 -3.21665900    3.96629300   -1.82825100
 C                 -5.56441600    4.02970200   -1.82142900
 C                 -6.71412300    3.23414800   -1.81789500
 C                 -7.43062000    3.00189000   -0.57959000
 C                 -6.93909000    3.54217500    0.60395400
 C                 -6.98715600    2.80122000    1.84631000
 C                 -5.80727000    3.14932800    2.61096800
 C                 -5.14289400    2.16848400    3.34554400
 C                 -3.69265200    2.12521900    3.34102700
 C                 -1.42332600    1.32356600    1.84088100
 C                 -2.19123000    0.35629800    2.56733900
 C                 -3.29909400    0.73735000    3.32854400
 C                 -4.49856500   -0.09218700    3.34955900
 C                 -5.63941400    0.79597200    3.34082300
 C                 -6.79138000    0.46886000    2.61284500
 C                 -7.47193400    1.49294200    1.84579900
 C                 -7.94624500    0.90124900    0.60398100
 C                 -7.92894100    1.63951100   -0.58170800
 C                 -4.40733700    3.62034300   -2.59327600
 C                 -5.95733000   -0.72412400   -2.60114000
 C                 -5.23678700    0.22045100   -3.33953400
 C                 -3.78477800    0.19002900   -3.33635400
 C                 -3.10769300   -0.77129000   -2.57989500
 C                 -3.86216300   -1.74482400   -1.80964800
 C                 -5.98760800   -1.97432300   -0.60459300
 C                 -7.13770000   -1.09068300   -0.59739600
 C                 -7.11902700   -0.31846400   -1.83374600
 C                 -7.51168400    1.02092700   -1.82708000
 C                 -6.76256800    2.00629300   -2.59209600
 C                 -5.64677900    1.61443300   -3.33461900
 C                 -3.29941900    1.54978600   -3.33652800
 C                 -2.16221100    1.87130200   -2.58741000
 C                 -1.44866800    0.86088600   -1.85171700
 C                 -1.92103100   -0.42549800   -1.84122700
 C                 -3.14879000   -2.01944800   -0.59326800
 C                 -3.84095200   -2.25511800    0.59038800
 C                 -5.29204900   -2.22198400    0.58407300
 C                 -7.54491800   -0.49296200    0.59751700
 C                 -6.82576100   -0.75758500    1.83587400
 C                 -5.71952300   -1.60908700    1.82778500
 C                 -4.52417600   -1.26829500    2.59029600
 C                 -3.36451800   -1.70926100    1.84357500
 C                 -2.23310400   -0.86698000    1.77112100
 C                 -1.44794900   -0.69013500    0.60508700
 C                 -0.73252400    0.65386100    0.66884800
 C                 -0.70577100    1.49092300   -0.68447500
 C                 -4.44783900    2.43936300   -3.33565800
 C                 -2.11743600    3.10197600   -1.81855500
 C                 -5.26019600   -1.74714500   -1.83867800
 C                 -1.84060200   -1.30775500   -0.62273800
 C                 -0.68369200   -2.73617700   -1.19173100
 C                  3.91343300    2.08789900    3.29432200
 C                  5.36483100    2.05129300    3.29803400
 C                  6.08849700    2.95545900    2.51785200
 C                  5.38822700    3.93472300    1.70163300
 C                  3.99403600    3.95862300    1.68751600
 C                  3.23762000    3.01757400    2.49512900
 C                  3.43127700    0.72871500    3.35795200
 C                  4.58158300   -0.16296800    3.40282400
 C                  5.77932400    0.65856400    3.36529000
 C                  6.89792200    0.22804500    2.64866300
 C                  7.25222000    2.50855500    1.77734500
 C                  6.12897800    4.10150200    0.46091300
 C                  5.44476100    4.30047700   -0.73978100
 C                  3.99352800    4.34082200   -0.75048500
 C                  3.27911300    4.16425900    0.44043900
 C                  2.07899300    3.35672700    0.46512100
 C                  2.05167700    2.63396800    1.75941100
 C                  1.57591100    1.34087400    1.83901600
 C                  2.29511600    0.37096600    2.62344200
 C                  4.54931100   -1.38267300    2.72724200
 C                  3.36378200   -1.76494000    1.97489700
 C                  2.26357600   -0.89945700    1.91711800
 C                  1.52542800   -0.71408600    0.69498100
 C                  0.85275000    0.64774800    0.69411900
 C                  0.87762400    1.43350600   -0.69568500
 C                  1.63124500    2.75231000   -0.69042200
 C                  2.38620000    2.89258400   -1.90584200
 C                  3.53640300    3.68722200   -1.95365300
 C                  7.27757800    3.21740300    0.50551400
 C                  5.81429200    1.12860800   -3.33428600
 C                  6.95110400    1.49215100   -2.60959000
 C                  7.64126400    0.50612200   -1.79638800
 C                  7.16687900   -0.80601800   -1.73782800
 C                  5.98393500   -1.18329800   -2.48664300
 C                  3.86692300   -0.18693600   -3.27622800
 C                  3.46597600    1.19816200   -3.34241300
 C                  4.66672700    2.01896300   -3.37860800
 C                  4.70116400    3.23591600   -2.69906400
 C                  5.88396600    3.61650300   -1.94616200
 C                  6.98735300    2.76232100   -1.90184900
 C                  8.10398100    1.16498900   -0.58652500
 C                  8.07998700    0.48615100    0.63236000
 C                  7.59220400   -0.88146200    0.69477000
 C                  7.14176200   -1.51451100   -0.46566100
 C                  5.94342000   -2.33015100   -0.42792400
 C                  5.22241300   -2.12038600   -1.67487400
 C                  3.82833900   -2.05986700   -1.67000300
 C                  3.13151300   -1.07636900   -2.48354600
 C                  2.34893500    1.62381500   -2.61389500
 C                  1.56829600    0.69794300   -1.83773900
 C                  1.96791400   -0.62017800   -1.75332900
 C                  1.94852200   -1.33990300   -0.45715000
 C                  3.09681000   -2.21935000   -0.42438100
 C                  3.79097300   -2.44095300    0.77139800
 C                  5.24169800   -2.48881800    0.76996400
 C                  5.71244800   -1.83215500    1.98027300
 C                  6.86268000   -1.04194200    1.94068000
 C                  7.69886000    2.55940700   -0.65199400
 C                  7.64967300    1.17138300    1.83965300
 C                  5.31878400   -0.23750500   -3.27052900
 N                 -0.33757200   -3.85440300   -1.08093800
 K                  1.92448600   -5.54858900   -1.62534900
 N                  1.89995500   -5.89345700    1.24577900
 C                 -0.02895700   -7.53662100   -2.51373500
 K                 -0.05855000   -3.96897400    2.07585000
 C                  1.60601400   -7.01692400    1.45389900
 N                 -1.04103000   -7.81840700   -1.97685900
 C                 -2.33614400   -5.76976400    2.03166900
 K                 -0.78744900   -8.60338000    0.80827700
 K                 -2.80304600   -5.60905300   -1.40508200
 N                 -2.80315300   -6.56360000    1.29487600

15 61 F

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

K 0
LanL2DZ

solventname=c60
eps=4.08
epsinf=3.83



