%nprocshared=24
%mem=41GB
#p opt=(calcfc,noeigentest,ts,maxstep=8) freq=noraman b3lyp 6-31g(d) scrf=(pcm,solvent=generic,read) nosymm empiricaldispersion=gd3 scf=(xqc,maxcyc=1024)

Direct TS

-1 1
 C                  1.62597958    2.42550930   -2.23974528
 C                  2.75372546    1.76402907   -1.59957055
 C                  3.07785014    0.44971857   -1.94548901
 C                  2.27813131   -0.25933911   -2.93041454
 C                  1.19558261    0.37419364   -3.54243295
 C                  0.86332758    1.74451225   -3.18893482
 C                  0.97243088    3.25831610   -1.24434912
 C                  1.69762418    3.10820500    0.00694038
 C                  2.80390790    2.19613460   -0.21519816
 C                  3.15034453    1.28372751    0.79012457
 C                  3.44422539   -0.49575387   -0.90547768
 C                  2.16254251   -1.64671736   -2.50782378
 C                  0.96858263   -2.34193995   -2.71168782
 C                 -0.15859678   -1.68249414   -3.34936676
 C                 -0.04751981   -0.34967384   -3.75059843
 C                 -1.14857883    0.57343945   -3.53109932
 C                 -0.58580987    1.86755729   -3.18162575
 C                 -1.21303563    2.66623740   -2.22521827
 C                 -0.41838391    3.37637613   -1.23744418
 C                  0.99426204    3.07627172    1.21252069
 C                 -0.44644378    3.19915465    1.21986229
 C                 -1.14584553    3.34945848    0.02126337
 C                 -2.39344033    2.63841268   -0.18884894
 C                 -2.43028851    2.20499450   -1.57324135
 C                 -2.97550413    0.96470043   -1.91529277
 C                 -2.31610383    0.13169629   -2.90722883
 C                 -2.43129205   -1.25515273   -2.48387644
 C                 -1.37456901   -2.14213193   -2.69933701
 C                  2.88214309   -1.79184090   -1.25449347
 C                 -0.97217226   -3.26136050    0.79640186
 C                  0.41717112   -3.37755263    0.78942600
 C                  1.21543476   -2.66621210    1.77847418
 C                  0.58985423   -1.84615758    2.72286270
 C                 -0.86153868   -1.72204052    2.72859989
 C                 -2.75245972   -1.76733911    1.15880891
 C                 -2.79824372   -2.19211711   -0.23024625
 C                 -1.69689679   -3.11548111   -0.45437043
 C                 -0.99970432   -3.09090535   -1.66425417
 C                  0.44907370   -3.21440272   -1.67153751
 C                  1.14370969   -3.35626856   -0.46857800
 C                  2.42810809   -2.20812881    1.13280424
 C                  2.95752058   -0.95888473    1.46577952
 C                  2.30739446   -0.12561877    2.46358188
 C                  1.15460717   -0.57058990    3.09636583
 C                 -1.20008212   -0.36864832    3.10574087
 C                 -2.26941799    0.26484309    2.48624878
 C                 -3.05981858   -0.44675325    1.49549548
 C                 -3.15291415   -1.27811381   -1.22391941
 C                 -3.48510454    0.09395838   -0.87062670
 C                 -3.43841515    0.49986462    0.46456750
 C                 -2.87921067    1.79720752    0.82082254
 C                 -2.17991337    1.66367907    2.08014314
 C                 -0.95551155    2.31839436    2.26555774
 C                  0.15947884    1.69335008    2.92981192
 C                  1.35757283    2.12149327    2.25312705
 C                  2.44990423    1.26844635    2.05553203
 C                  2.38794849   -2.63314133   -0.25639023
 C                  3.47937091   -0.08902605    0.42982183
 C                 -1.62891102   -2.42611874    1.79302021
 C                  0.05051995    0.36611933    3.47997242
 C                  0.03245976    0.19500725    5.46644742
 N                 -0.03005312   -0.21866020    6.56450804

solventname=c60
eps=4.08
epsinf=3.83

