%nprocshared=24
%mem=41GB
%chk=tsc120cn_4c
#p opt=(loose,modredundant) b3lyp 6-31G(d) scrf=(pcm,solvent=n,n-dimethylformamide) nosymm empiricaldispersion=gd3 scf=(xqc,maxcyc=1024,conver=6)

preopt loose

-1 1
 C                 -1.57290122    0.75156639    1.95091209
 C                 -1.00119509   -0.15207479    0.92827735
 C                 -0.71536002    0.34341857   -0.44591693
 C                 -1.33470504    1.71099255   -0.72839529
 C                 -1.80956729    2.54416253    0.26867860
 C                 -1.92209324    2.06412194    1.65159337
 C                 -2.38337173   -0.02280362    2.87657955
 C                 -2.40284304   -1.38337320    2.37803222
 C                 -1.58128963   -1.42980365    1.16227744
 C                 -1.98391736   -2.28493068    0.08889900
 C                 -1.36892798   -0.50632161   -1.52764227
 C                 -1.98106263    1.70218350   -2.01074122
 C                 -3.05753097    2.55988902   -2.28204751
 C                 -3.54694959    3.43758329   -1.24392403
 C                 -2.93907656    3.41601948    0.01541963
 C                 -3.74582614    3.48130609    1.21990381
 C                 -3.11794767    2.64365223    2.23035111
 C                 -3.91101356    1.89715948    3.10791646
 C                 -3.53162577    0.53329881    3.43852385
 C                 -3.56057488   -2.13461190    2.46579707
 C                 -4.75268351   -1.56926334    3.05488982
 C                 -4.74531793   -0.25737622    3.53116257
 C                 -5.87300270    0.61549756    3.26330845
 C                 -5.35874243    1.94686156    2.99828645
 C                 -5.96225168    2.75996091    2.03373768
 C                 -5.13666364    3.53608061    1.12545961
 C                 -5.77403014    3.53741114   -0.18402130
 C                 -4.99436560    3.49130916   -1.34399943
 C                 -2.00092352    0.33689301   -2.50573935
 C                 -6.57610928    0.51839120   -2.85499212
 C                 -5.42708644   -0.03242518   -3.42024765
 C                 -5.04315317   -1.40141488   -3.10688218
 C                 -5.81366299   -2.15557657   -2.21355796
 C                 -7.01053626   -1.58078500   -1.62307956
 C                 -7.88302116    0.60139261   -0.90920100
 C                 -7.37494135    1.93730033   -1.16191868
 C                 -6.56475415    1.88693438   -2.36600867
 C                 -5.39803755    2.64914154   -2.45544565
 C                 -4.19740896    2.07068043   -3.03745924
 C                 -4.21394878    0.75836081   -3.51431232
 C                 -3.60327876   -1.45284662   -3.01045212
 C                 -3.00415927   -2.25605263   -2.03438667
 C                 -3.81707863   -3.04685357   -1.13509153
 C                 -5.19115823   -3.02597190   -1.25443721
 C                 -7.16348830   -2.07943412   -0.28832347
 C                 -7.59849223   -1.23696218    0.71510776
 C                 -7.97331581    0.12675855    0.40402953
 C                 -6.98106015    2.74474095   -0.09102610
 C                 -7.09350825    2.25583555    1.27665395
 C                 -7.58072284    0.97035532    1.51457860
 C                 -6.95846079    0.12634863    2.52490067
 C                 -6.97583777   -1.23891062    2.04914564
 C                 -5.88024051   -2.06659066    2.28054302
 C                 -5.37418648   -2.97039375    1.27173941
 C                 -3.98067947   -2.98361899    1.33895504
 C                 -3.14806338   -3.07061752    0.17971958
 C                 -3.08668042   -0.12487822   -3.25867340
 C                 -1.86551074   -1.77159747   -1.28701623
 C                 -7.39239452   -0.27054469   -1.94782736
 C                 -6.13293715   -3.21488740   -0.03243180
 C                 -6.77850786   -4.54380414   -0.04100534
 N                 -7.28293653   -5.59001631   -0.03817709
 C                  4.24723717    1.37040289    3.23264061
 C                  5.68849018    1.37335701    3.10485839
 C                  6.32706418    2.23750152    2.20728897
 C                  5.52773437    3.11484845    1.37212182
 C                  4.13429525    3.10270341    1.47194396
 C                  3.46816743    2.21180270    2.41711650
 C                  3.82256555   -0.00293117    3.43344076
 C                  5.00418151   -0.85029635    3.45589621
 C                  6.16152700    0.00304831    3.25011635
 C                  7.23481749   -0.45241056    2.48477502
 C                  7.43928971    1.75623106    1.40681965
 C                  6.15866230    3.19346096    0.06205833
 C                  5.37432049    3.27003262   -1.09103360
 C                  3.92644000    3.26292888   -0.98266786
 C                  3.32095697    3.17663447    0.27695459
 C                  2.15950135    2.33018581    0.47663230
 C                  2.23660606    1.75558773    1.82564207
 C                  1.85328549    0.41096343    1.98232078
 C                  2.65362162   -0.47025426    2.83443373
 C                  4.96383020   -2.12321345    2.88356041
 C                  3.74002135   -2.60538188    2.26360651
 C                  2.61234408   -1.78554189    2.24223529
 C                  1.78921857   -1.68946534    1.03629628
 C                  1.10381384   -0.36137561    0.94997517
 C                  0.94867697    0.25118003   -0.40312181
 C                  1.64213093    1.60573807   -0.58358852
 C                  2.29376763    1.65980613   -1.86212548
 C                  3.39709544    2.49335803   -2.08281672
 C                  7.34249210    2.35520315    0.08370918
 C                  5.65743724   -0.09916271   -3.43498322
 C                  6.83562277    0.36114726   -2.84261015
 C                  7.62641780   -0.52993556   -2.01054258
 C                  7.20953115   -1.84812595   -1.80646861
 C                  5.98333800   -2.32366636   -2.41852197
 C                  3.77588547   -1.47170169   -3.11038922
 C                  3.31376814   -0.11148126   -3.25258721
 C                  4.47596624    0.74491040   -3.45482731
 C                  4.51695572    2.01538140   -2.88405298
 C                  5.74076070    2.49704546   -2.26833997
 C                  6.87781585    1.68611239   -2.24623731
 C                  8.16186693    0.24484649   -0.90466899
 C                  8.24870949   -0.32971633    0.36685946
 C                  7.82255545   -1.70180111    0.57979317
 C                  7.30649194   -2.44597954   -0.48268890
 C                  6.15175522   -3.30424077   -0.28446439
 C                  5.32696741   -3.21788502   -1.47558506
 C                  3.93413581   -3.21227447   -1.36774780
 C                  3.14638497   -2.32364421   -2.19557178
 C                  2.25002691    0.33383091   -2.45833484
 C                  1.57002416   -0.55154770   -1.55254094
 C                  2.02667495   -1.85067032   -1.40185730
 C                  2.10385413   -2.48361098   -0.08033776
 C                  3.29424838   -3.29396488   -0.05833282
 C                  4.09686166   -3.38687015    1.09372190
 C                  5.53875021   -3.36928522    0.97262393
 C                  6.07965641   -2.59563063    2.08212861
 C                  7.19278873   -1.77818462    1.88852821
 C                  7.69397297    1.61239650   -1.04653301
 C                  7.89002390    0.44211970    1.54363802
 C                  5.22353762   -1.47171248   -3.22279386

2 86 F

--link1--
%nprocshared=24
%mem=41GB
%chk=tsc120cn_4c
#p opt=(modredundant,calcfc,noeigentest,ts,maxstep=8) freq=noraman b3lyp 6-31G(d) scrf=(pcm,solvent=n,n-dimethylformamide) nosymm empiricaldispersion=gd3 scf=(xqc,maxcyc=1024) guess=read geom=checkpoint

TS

-1 1

2 86 A






