%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                 -3.74818100    4.09714900    1.84132800
 C                 -3.01691200    4.34204300    0.60975100
 C                 -3.71662500    4.60354700   -0.57390300
 C                 -5.16929700    4.61356400   -0.57417700
 C                 -5.86780400    4.37419900    0.61091400
 C                 -5.14255400    4.11728700    1.84498500
 C                 -3.03042700    3.09162700    2.60488200
 C                 -1.85424000    2.70864500    1.85905000
 C                 -1.84445600    3.49221700    0.59981500
 C                 -1.40223600    2.93378500   -0.58285500
 C                 -3.27376400    3.99575300   -1.80593800
 C                 -5.62335200    4.01081400   -1.81750900
 C                 -6.75614300    3.19244600   -1.82253800
 C                 -7.48565600    2.95103800   -0.59038800
 C                 -7.04682300    3.52855300    0.60352600
 C                 -7.05880000    2.75691900    1.83700900
 C                 -5.88326200    3.12041900    2.60431600
 C                 -5.19701600    2.15122700    3.33812300
 C                 -3.74630900    2.13933700    3.34492700
 C                 -1.44277100    1.39130400    1.86394700
 C                 -2.19659100    0.40612200    2.57932000
 C                 -3.31791900    0.76145200    3.33337100
 C                 -4.49689000   -0.09532100    3.34445800
 C                 -5.65817700    0.76794400    3.32954800
 C                 -6.79562500    0.41887300    2.59251200
 C                 -7.49931300    1.43087100    1.82672400
 C                 -7.94734600    0.82742100    0.58160100
 C                 -7.94062000    1.57046600   -0.60011900
 C                 -4.44952700    3.62543300   -2.57987600
 C                 -5.88905100   -0.75000700   -2.60518600
 C                 -5.18753300    0.21078800   -3.33672200
 C                 -3.73529400    0.21033700   -3.32138000
 C                 -3.03656400   -0.74111900   -2.56794000
 C                 -3.77160600   -1.73570100   -1.80574900
 C                 -5.90510000   -2.00346100   -0.61590000
 C                 -7.07619800   -1.14551100   -0.61526600
 C                 -7.06603600   -0.37025600   -1.84761500
 C                 -7.49299200    0.95982500   -1.84037900
 C                 -6.76285900    1.96211500   -2.59713700
 C                 -5.63278400    1.59445000   -3.33186900
 C                 -3.28566400    1.58090100   -3.31607400
 C                 -2.16388900    1.92481300   -2.55672700
 C                 -1.43208500    0.92787600   -1.82045400
 C                 -1.85619800   -0.37800700   -1.82429600
 C                 -3.04908300   -2.01392800   -0.59013800
 C                 -3.75786000   -2.24788100    0.59067200
 C                 -5.21188600   -2.23886700    0.57424900
 C                 -7.50943900   -0.55777700    0.57462800
 C                 -6.79259900   -0.80763100    1.81499200
 C                 -5.66693100   -1.63558100    1.81348500
 C                 -4.48725300   -1.27155100    2.58569800
 C                 -3.31106400   -1.68935800    1.84780000
 C                 -2.20060000   -0.81906200    1.78223000
 C                 -1.41141300   -0.62851600    0.62360000
 C                 -0.73168900    0.73545600    0.69609600
 C                 -0.71031900    1.57739400   -0.65182200
 C                 -4.45430700    2.44540400   -3.32363900
 C                 -2.15337300    3.15728100   -1.78977900
 C                 -5.17103500   -1.75881100   -1.84195200
 C                 -1.74270500   -1.28222000   -0.61205900
 C                 -0.48317700   -2.64235300   -1.12803400
 C                  3.95823200    2.05410100    3.30670500
 C                  5.40809500    1.98042600    3.29525600
 C                  6.14399900    2.87534700    2.51749100
 C                  5.45980500    3.88193200    1.72002100
 C                  4.06756000    3.94247800    1.72033800
 C                  3.29730200    3.01048800    2.52519200
 C                  3.44511900    0.70587400    3.35865700
 C                  4.57350500   -0.21497300    3.38084900
 C                  5.79009100    0.57694000    3.34052400
 C                  6.89119700    0.12673000    2.60777400
 C                  7.28469700    2.40526100    1.75739500
 C                  6.18849300    4.04133000    0.47212800
 C                  5.50197500    4.27660600   -0.71955800
 C                  4.05293200    4.35511000   -0.71502400
 C                  3.34651400    4.18117400    0.48183800
 C                  2.12723200    3.40321400    0.50866900
 C                  2.09546600    2.66635400    1.79634200
 C                  1.59067300    1.38427900    1.86588800
 C                  2.29401900    0.38625900    2.63068000
 C                  4.50569900   -1.42543200    2.69009100
 C                  3.30465300   -1.76874500    1.94523300
 C                  2.22812500   -0.87298200    1.90763900
 C                  1.48769300   -0.65187300    0.69483600
 C                  0.84749200    0.72489400    0.71737000
 C                  0.87349000    1.52336500   -0.66398600
 C                  1.65090600    2.82759500   -0.65114400
 C                  2.40064100    2.96261300   -1.87214700
 C                  3.56945100    3.72836700   -1.92223800
 C                  7.30337800    3.11921700    0.49182600
 C                  5.77332000    1.12982400   -3.35744900
 C                  6.92526500    1.45551100   -2.63950200
 C                  7.59923800    0.44232000   -1.84482300
 C                  7.09430800   -0.85857800   -1.79696500
 C                  5.89544800   -1.19675500   -2.53905800
 C                  3.79594100   -0.13729500   -3.29539300
 C                  3.42804600    1.25795800   -3.34040600
 C                  4.64748600    2.04914200   -3.37909600
 C                  4.71619100    3.25660600   -2.68460500
 C                  5.91425500    3.59749200   -1.93846200
 C                  6.99611700    2.71475900   -1.91610700
 C                  8.08685100    1.07324900   -0.63057200
 C                  8.05888400    0.38096100    0.58099800
 C                  7.53989300   -0.97474800    0.63207500
 C                  7.06398400   -1.58160500   -0.53242700
 C                  5.84671900   -2.36813200   -0.49259700
 C                  5.11991900   -2.12530700   -1.73044000
 C                  3.72844800   -2.02807100   -1.71010000
 C                  3.04847500   -1.01777900   -2.50478700
 C                  2.32960300    1.70321600   -2.59458900
 C                  1.54039300    0.78755900   -1.81900800
 C                  1.90839300   -0.53950700   -1.75518200
 C                  1.88393800   -1.27206200   -0.46856200
 C                  3.00747200   -2.18169800   -0.45840800
 C                  3.70492100   -2.43806500    0.72769300
 C                  5.15305000   -2.52376400    0.71122700
 C                  5.65036100   -1.89457400    1.92570400
 C                  6.81891700   -1.13273800    1.88408400
 C                  7.71054300    2.47554200   -0.67567300
 C                  7.65548600    1.06061900    1.80100900
 C                  5.24595600   -0.22475100   -3.30489100
 N                 -0.18156200   -3.77766500   -1.07696800
 K                  2.06922300   -5.53126200   -1.45813600
 N                  1.90048200   -5.86596700    1.40446600
 C                  0.16896300   -7.51646400   -2.46589200
 K                 -0.08188300   -3.93512600    2.14286100
 C                  1.56980200   -6.98626000    1.56977000
 N                 -0.86073100   -7.78081700   -1.95424700
 C                 -2.35344700   -5.73462500    1.96692500
 K                 -0.78825100   -8.58493900    0.82705800
 K                 -2.63001500   -5.55398300   -1.48157700
 N                 -2.79269500   -6.51582100    1.20027600

61 90 F

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

K 0
LanL2DZ

solventname=c60
eps=4.08
epsinf=3.83


