%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                 -3.76429400    4.10181700    1.83929400
 C                 -3.03201700    4.34882000    0.60872900
 C                 -3.73098100    4.60560100   -0.57639200
 C                 -5.18371400    4.60861800   -0.57919100
 C                 -5.88312700    4.36724800    0.60494700
 C                 -5.15876500    4.11529100    1.84055700
 C                 -3.04300800    3.10074000    2.60531600
 C                 -1.86355500    2.72260800    1.86202700
 C                 -1.85529400    3.50476000    0.60181300
 C                 -1.40773900    2.94753600   -0.57952400
 C                 -3.28303400    3.99856100   -1.80695600
 C                 -5.63271200    4.00220200   -1.82255600
 C                 -6.76157700    3.17841100   -1.82860300
 C                 -7.49202100    2.93490500   -0.59742600
 C                 -7.05806700    3.51598600    0.59652600
 C                 -7.06840400    2.74570400    1.83088500
 C                 -5.89601100    3.11581800    2.59981500
 C                 -5.20638500    2.15081800    3.33597700
 C                 -3.75564700    2.14598400    3.34535600
 C                 -1.44541700    1.40734700    1.86955000
 C                 -2.19633500    0.41944700    2.58457700
 C                 -3.32059400    0.77015300    3.33630200
 C                 -4.49547000   -0.09231900    3.34607700
 C                 -5.66087300    0.76534500    3.32822400
 C                 -6.79530600    0.40987400    2.58960700
 C                 -7.50253900    1.41757200    1.82141700
 C                 -7.94553400    0.81046200    0.57626400
 C                 -7.94034200    1.55212700   -0.60630200
 C                 -4.45572800    3.62160100   -2.58245200
 C                 -5.87410300   -0.76076400   -2.60500200
 C                 -5.17604100    0.20255200   -3.33653100
 C                 -3.72385700    0.20917000   -3.31861400
 C                 -3.02192800   -0.73806400   -2.56277200
 C                 -3.75331000   -1.73540700   -1.80072800
 C                 -5.88759900   -2.01208300   -0.61423500
 C                 -7.06279500   -1.15969500   -0.61669200
 C                 -7.05423200   -0.38583700   -1.84995200
 C                 -7.48766000    0.94221300   -1.84505900
 C                 -6.76105100    1.94711800   -2.60173000
 C                 -5.62801800    1.58406900   -3.33416200
 C                 -3.28093700    1.58188800   -3.31419400
 C                 -2.16230700    1.93217200   -2.55312800
 C                 -1.42771800    0.93968000   -1.81412100
 C                 -1.84499700   -0.36829900   -1.81730800
 C                 -3.03117800   -2.00915300   -0.58364200
 C                 -3.74119300   -2.24509400    0.59631300
 C                 -5.19530900   -2.24282500    0.57733500
 C                 -7.50099600   -0.57263100    0.57172300
 C                 -6.78512200   -0.81756300    1.81359100
 C                 -5.65556400   -1.64019300    1.81505800
 C                 -4.47911800   -1.26956100    2.58897800
 C                 -3.29975200   -1.68241000    1.85342600
 C                 -2.19361500   -0.80670400    1.78906100
 C                 -1.40456200   -0.61343400    0.63118300
 C                 -0.73077800    0.75323700    0.70308400
 C                 -0.71028200    1.59391700   -0.64554100
 C                 -4.45369200    2.44074200   -3.32489200
 C                 -2.15852600    3.16571200   -1.78785900
 C                 -5.15249900   -1.76521500   -1.83930100
 C                 -1.72869500   -1.27087600   -0.60400600
 C                 -0.45752700   -2.62137300   -1.11673300
 C                  3.96690700    2.05196300    3.30925000
 C                  5.41634600    1.97120700    3.29522400
 C                  6.15471000    2.86343500    2.51699800
 C                  5.47384600    3.87426000    1.72182700
 C                  4.08209700    3.94178900    1.72461800
 C                  3.30907100    3.01252900    2.52993200
 C                  3.44787900    0.70600300    3.36043400
 C                  4.57192900   -0.22032900    3.37959100
 C                  5.79203800    0.56581600    3.33799700
 C                  6.88986300    0.11106700    2.60289300
 C                  7.29109000    2.38815800    1.75393900
 C                  6.20044000    4.03085200    0.47252900
 C                  5.51379100    4.27165400   -0.71777600
 C                  4.06529300    4.35741500   -0.71063600
 C                  3.36019300    4.18532700    0.48740000
 C                  2.13732300    3.41310800    0.51538200
 C                  2.10447800    2.67513500    1.80263500
 C                  1.59426100    1.39532200    1.87160200
 C                  2.29423700    0.39289600    2.63386700
 C                  4.49743400   -1.42971800    2.68735800
 C                  3.29365500   -1.76647000    1.94416500
 C                  2.22184900   -0.86490400    1.90914800
 C                  1.48102100   -0.63855300    0.69794400
 C                  0.84729800    0.74121000    0.72324500
 C                  0.87372800    1.54032800   -0.65746400
 C                  1.65576500    2.84175900   -0.64454600
 C                  2.40473600    2.97437800   -1.86663300
 C                  3.57703200    3.73451000   -1.91792800
 C                  7.30877700    3.10168300    0.48875700
 C                  5.76686000    1.12694200   -3.36011900
 C                  6.92146300    1.44618700   -2.64370300
 C                  7.59211200    0.42878300   -1.85128300
 C                  7.08135600   -0.86981000   -1.80398600
 C                  5.87968400   -1.20131600   -2.54451100
 C                  3.78386600   -0.13075500   -3.29602400
 C                  3.42233100    1.26625200   -3.33874500
 C                  4.64527300    2.05167500   -3.37868300
 C                  4.72039400    3.25803400   -2.68279400
 C                  5.92112800    3.59215500   -1.93819100
 C                  6.99877800    2.70407600   -1.91881800
 C                  8.08419400    1.05571700   -0.63689800
 C                  8.05516700    0.36227500    0.57406400
 C                  7.53023300   -0.99100900    0.62450600
 C                  7.04972600   -1.59412700   -0.54007400
 C                  5.82893000   -2.37499100   -0.49910700
 C                  5.10136200   -2.12717800   -1.73546300
 C                  3.71054000   -2.02287700   -1.71232800
 C                  3.03403900   -1.00851900   -2.50480900
 C                  2.32739100    1.71601600   -2.59029900
 C                  1.53643700    0.80322000   -1.81388900
 C                  1.89838100   -0.52531700   -1.75236700
 C                  1.87230000   -1.25918400   -0.46683100
 C                  2.99131400   -2.17425700   -0.45966400
 C                  3.68898200   -2.43594800    0.72484100
 C                  5.13652000   -2.52869700    0.70583900
 C                  5.63863300   -1.90344500    1.92039600
 C                  6.81064200   -1.14711800    1.87770800
 C                  7.71339200    2.45935400   -0.67980900
 C                  7.65668600    1.04219100    1.79561000
 C                  5.23342100   -0.22525200   -3.30813700
 N                 -0.17213600   -3.76164100   -1.08181500
 K                  2.06646700   -5.52928900   -1.45530900
 N                  1.89629800   -5.86438900    1.40787600
 C                  0.17474500   -7.51704600   -2.47629500
 K                 -0.07667900   -3.92610200    2.15171300
 C                  1.56487900   -6.98437700    1.57366700
 N                 -0.84938800   -7.77223100   -1.94900700
 C                 -2.35625700   -5.71493000    1.96429000
 K                 -0.79691400   -8.57645900    0.83187400
 K                 -2.61257000   -5.53792100   -1.48950400
 N                 -2.78869800   -6.49231200    1.18992000

61 90 F

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

K 0
LanL2DZ

solventname=c60
eps=4.08
epsinf=3.83


