%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                 -3.23004700    0.40397200   -3.37018100
 C                 -3.13182600    1.46910500   -2.38485100
 C                 -2.30826400    2.57179700   -2.61724800
 C                 -1.52476300    2.63925700   -3.83789600
 C                 -1.60973500    1.61375800   -4.78223100
 C                 -2.48069400    0.47356300   -4.54311800
 C                 -3.35074700   -0.85701800   -2.65705400
 C                 -3.32384000   -0.56564700   -1.23378900
 C                 -3.18577400    0.86578200   -1.07165600
 C                 -2.42770700    1.38125500   -0.01773200
 C                 -1.50022200    3.10281000   -1.53307200
 C                 -0.23346900    3.22432000   -3.51107700
 C                  0.92096300    2.75752200   -4.14119300
 C                  0.83336800    1.69010700   -5.12567600
 C                 -0.40660900    1.12663800   -5.43468200
 C                 -0.53644900   -0.31220300   -5.60303100
 C                 -1.81777600   -0.71760800   -5.05009400
 C                 -1.93345200   -1.92871900   -4.36494800
 C                 -2.71665400   -2.00003200   -3.14292200
 C                 -2.67505100   -1.43168600   -0.35381300
 C                 -2.01762000   -2.61650500   -0.85680400
 C                 -2.03578900   -2.90092700   -2.22543500
 C                 -0.84156300   -3.39575100   -2.87969100
 C                 -0.77082600   -2.78776900   -4.19715900
 C                  0.45869100   -2.40064100   -4.73386800
 C                  0.57759700   -1.13666100   -5.44411400
 C                  1.86703100   -0.55101600   -5.11638800
 C                  1.99278500    0.83142000   -4.95964500
 C                 -0.21770700    3.50826800   -2.08603500
 C                  3.46535200    0.79783700   -1.56839500
 C                  2.83374700    1.94066700   -1.08374800
 C                  2.04680100    1.86926400    0.14003000
 C                  1.91340500    0.64854700    0.81255000
 C                  2.57737200   -0.54449500    0.31056700
 C                  3.24653400   -1.52753900   -1.83220000
 C                  3.29078700   -0.92390300   -3.14770300
 C                  3.44161200    0.50918000   -2.99061600
 C                  2.79841800    1.37277800   -3.87755600
 C                  2.13821600    2.56353900   -3.37194500
 C                  2.15509800    2.84040700   -2.00222900
 C                  0.88793600    2.72322900   -0.02364500
 C                 -0.34370000    2.32569600    0.50198400
 C                 -0.46498600    1.06583100    1.21633800
 C                  0.64701500    0.25193200    1.38180500
 C                  1.73167200   -1.68701100    0.57065500
 C                  1.63160300   -2.69538700   -0.37875000
 C                  2.40909600   -2.62011500   -1.60160100
 C                  2.53554000   -1.44751300   -4.19261200
 C                  1.66899900   -2.58996500   -3.95452300
 C                  1.60698900   -3.16167100   -2.68206200
 C                  0.32672900   -3.57386600   -2.12446800
 C                  0.34467100   -3.31352000   -0.70159000
 C                 -0.79761500   -2.79944600   -0.08056500
 C                 -0.72471500   -1.76484200    0.92366800
 C                 -1.85354700   -0.89461400    0.72724000
 C                 -1.77591100    0.49439900    0.92110600
 C                  0.95235800    3.32590300   -1.34566300
 C                 -1.55820700    2.52301500   -0.26359800
 C                  3.34446300   -0.46726200   -0.85407900
 C                  0.54691600   -1.24554600    1.37447500
 C                  0.83617600   -1.67219600    3.25768000
 N                  0.53556100   -1.48954900    4.37962200
 K                  1.02611800   -2.09281800    7.15656900
 K                  1.88775300    1.54001300    4.52467700
 N                  2.01809800    0.62472800    7.23955000
 C                 -1.82307500   -1.70164000    7.63086500
 C                 -0.80313900    2.57663600    4.60435200
 C                  1.24270200    1.21146000    7.90783200
 N                 -2.56504900   -0.85389400    7.28078000
 N                 -1.85251000    2.28037300    5.05352700
 K                 -1.63783400    1.83353700    7.91116200
 K                 -2.40228900   -0.47439400    4.42693000

9 36 F

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

K 0
LanL2DZ

solventname=c60
eps=4.08
epsinf=3.83



