%nprocshared=24
%mem=41GB
#p opt=(loose,modredundant,calcfc,ts,noeigentest,maxstep=8) freq b3lyp genecp scrf=(solvent=generic,read,pcm) nosymm empiricaldispersion=gd3 scf=(xqc,maxcyc=1024,conver=6) int(grid=fine)

Loose ts

0 1
 C                 -3.71568400    4.48025500    0.33761800
 C                 -2.92916600    4.08554300   -0.81927900
 C                 -3.56442000    3.80133100   -2.03404100
 C                 -5.01153700    3.87721900   -2.13117900
 C                 -5.76571300    4.24776900   -1.01606300
 C                 -5.10530100    4.56148300    0.24092100
 C                 -3.09672900    3.91772600    1.52445700
 C                 -1.92808800    3.17407900    1.11279500
 C                 -1.82487800    3.27271300   -0.36150900
 C                 -1.38675100    2.20398500   -1.11584400
 C                 -3.12250500    2.67009200   -2.81216800
 C                 -5.46293500    2.78832600   -2.98415300
 C                 -6.65050000    2.11442700   -2.68445000
 C                 -7.43804100    2.50546200   -1.52912500
 C                 -7.00042400    3.54894100   -0.70796500
 C                 -7.11203800    3.44093900    0.73631900
 C                 -5.93964200    4.06530300    1.32473300
 C                 -5.34882100    3.51695900    2.46372400
 C                 -3.90425000    3.44839800    2.57260800
 C                 -1.62207200    1.98159600    1.73884800
 C                 -2.45416700    1.48627900    2.80100800
 C                 -3.57182500    2.20247400    3.22557800
 C                 -4.80708600    1.50040400    3.54814200
 C                 -5.90408900    2.30679900    3.06324300
 C                 -7.03671800    1.70863900    2.49836900
 C                 -7.64229700    2.28207000    1.30944900
 C                 -8.08740600    1.19247500    0.45690500
 C                 -7.98936900    1.30183600   -0.93271500
 C                 -4.29342700    2.03821400   -3.40116000
 C                 -6.04467600   -1.78016200   -1.51015500
 C                 -5.25054500   -1.30034600   -2.55450500
 C                 -3.80381900   -1.36246300   -2.44619900
 C                 -3.20201300   -1.89174100   -1.29815500
 C                 -4.02998700   -2.38922700   -0.21218800
 C                 -6.21252100   -1.96428000    0.82233000
 C                 -7.32231200   -1.14991000    0.35769600
 C                 -7.21778500   -1.03694000   -1.09027800
 C                 -7.54558400    0.16542200   -1.72176700
 C                 -6.71910000    0.66783800   -2.80574800
 C                 -5.59252600   -0.05195800   -3.21312700
 C                 -3.25454000   -0.16713600   -3.03864700
 C                 -2.13435000    0.43423000   -2.45373600
 C                 -1.49460100   -0.14833200   -1.30242500
 C                 -2.01253600   -1.29633400   -0.75017100
 C                 -3.37769300   -2.13241500    1.03558800
 C                 -4.12582900   -1.72147200    2.13227600
 C                 -5.57107800   -1.64751600    2.02540500
 C                 -7.74540200   -0.05660800    1.11356900
 C                 -7.08861200    0.26455400    2.37205500
 C                 -6.01990600   -0.51809400    2.81673400
 C                 -4.84621100    0.10561900    3.40938700
 C                 -3.67564300   -0.65629900    3.02559100
 C                 -2.51236500    0.03593200    2.64979300
 C                 -1.66637500   -0.33625900    1.56504100
 C                 -1.05179400    0.82170900    1.01396200
 C                 -0.76387000    0.93223300   -0.50549000
 C                 -4.35636100    0.64910000   -3.51953900
 C                 -2.06686400    1.88077500   -2.33615500
 C                 -5.42877200   -2.35353400   -0.32534800
 C                 -1.93347700   -1.60513100    0.76704900
 C                  4.04337700    3.72327200    2.12341300
 C                  5.47675300    3.66112600    1.99576000
 C                  6.03223000    3.83121700    0.74635200
 C                  5.28919200    4.28425700   -0.38518100
 C                  3.90723300    4.34015500   -0.27897900
 C                  3.26403200    4.02573600    0.99239100
 C                  3.66214400    2.65032700    3.00941600
 C                  4.87514500    1.95858800    3.45338100
 C                  6.00962800    2.60559000    2.82874700
 C                  7.11930800    1.87450500    2.39134200
 C                  7.23379000    3.19069200    0.32348600
 C                  5.96867600    3.78222500   -1.56280900
 C                  5.20379700    3.27273300   -2.60460400
 C                  3.75032700    3.28375600   -2.49835900
 C                  3.11161600    3.80976500   -1.36064700
 C                  1.97069600    3.14867900   -0.76250700
 C                  2.05538600    3.29876600    0.71086800
 C                  1.69240000    2.24044900    1.54778800
 C                  2.51206500    1.92242500    2.71445300
 C                  4.88969100    0.57365800    3.60040600
 C                  3.68237500   -0.18254800    3.31186800
 C                  2.52729100    0.48506500    2.87133400
 C                  1.71585100   -0.04996900    1.79697200
 C                  1.06223900    1.02641900    1.05184600
 C                  0.80542100    0.90083400   -0.49370900
 C                  1.48687500    1.99296000   -1.33105400
 C                  2.16429700    1.42507400   -2.46977600
 C                  3.26410900    2.05619000   -3.07065900
 C                  7.17508400    3.10030000   -1.12257800
 C                  5.63482300   -0.79510700   -2.94405200
 C                  6.79188100   -0.07408500   -2.65451300
 C                  7.58935900   -0.40968600   -1.47923600
 C                  7.21027800   -1.45735400   -0.63140100
 C                  6.00474300   -2.19602000   -0.92296800
 C                  3.80587600   -1.79565900   -1.93069600
 C                  3.28288300   -0.75206800   -2.76628500
 C                  4.42523000   -0.10510500   -3.39054400
 C                  4.41479600    1.27840800   -3.53152900
 C                  5.62086000    2.03107500   -3.23757200
 C                  6.78283300    1.37044600   -2.80887000
 C                  8.08534200    0.82425400   -0.90606300
 C                  8.17969000    0.95299300    0.48788600
 C                  7.78760000   -0.13370000    1.37021600
 C                  7.31063700   -1.32042200    0.82107600
 C                  6.17295100   -1.98454500    1.43315700
 C                  5.36535000   -2.50729700    0.35065800
 C                  3.98441700   -2.41268700    0.45500300
 C                  3.25486700   -1.93697400   -0.67453500
 C                  2.17751900   -0.01517600   -2.31201300
 C                  1.50251400   -0.33134200   -1.07285000
 C                  2.05100300   -1.29668400   -0.26071900
 C                  2.09675900   -1.24039400    1.20921500
 C                  3.30263200   -1.91612900    1.63630600
 C                  4.08642000   -1.42325200    2.68532600
 C                  5.53720600   -1.43688700    2.56060500
 C                  6.03612800   -0.19994300    3.13438800
 C                  7.13382200    0.43472100    2.54514700
 C                  7.58523100    1.91977600   -1.72977600
 C                  7.76004400    2.18436000    1.12218700
 C                  5.24136900   -1.86680900   -2.04931600
 C                 -0.95174700   -2.67677800    1.02892800
 N                 -0.20361900   -3.54207200    1.23141200
 K                  1.90278400   -5.41717500    1.66329000
 N                 -0.41748900   -7.13023000    2.23871400
 K                 -2.86107000   -5.74064800    1.52701500
 C                 -0.35324400   -7.97085500    1.41314500
 C                 -2.40490100   -5.71420300   -1.33342100
 K                  0.07444800   -7.99041000   -1.49738100
 K                  0.13132200   -3.54375300   -2.62008200
 N                 -1.68622700   -5.69164300   -2.26766000
 C                  2.18355300   -5.42748500   -1.86056700
 N                  2.38635200   -6.22712300   -1.01791800

63 108 F

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

K 0
LanL2DZ

solventname=c60
eps=4.08
epsinf=3.83


