%nprocshared=24
%mem=41GB
%chk=tsc60cn_3
#p opt=(loose,modredundant) b3lyp 6-31g(d) scrf=(pcm,solvent=n,n-dimethylformamide) nosymm empiricaldispersion=gd3 scf=(xqc,maxcyc=1024)

preopt

-1 1
 C                 -2.08214942    2.46074375    1.16104783
 C                 -1.48801470    1.98067085   -0.07952466
 C                 -2.04462128    2.35488256   -1.30939433
 C                 -3.22852374    3.19467859   -1.34150154
 C                 -3.80088745    3.64899141   -0.15266436
 C                 -3.21407851    3.27479343    1.12456398
 C                 -1.98222470    1.40138137    2.15062267
 C                 -1.33599100    0.26788872    1.51710506
 C                 -1.01693924    0.63131281    0.13520750
 C                 -1.14617953   -0.32429361   -0.87206265
 C                 -2.17183704    1.36726692   -2.35888607
 C                 -4.08187953    2.73484167   -2.42835464
 C                 -5.47095932    2.74604012   -2.27893976
 C                 -6.06585845    3.21791104   -1.04050423
 C                 -5.24462928    3.65525902    0.00281754
 C                 -5.55225393    3.29159420    1.37451175
 C                 -4.29705406    3.05661715    2.07074050
 C                 -4.20344024    2.03794076    3.01850671
 C                 -3.02179570    1.19445636    3.06334659
 C                 -1.76272590   -1.01896814    1.81131584
 C                 -2.82314674   -1.24126830    2.76324543
 C                 -3.45144540   -0.15631132    3.37910889
 C                 -4.89087346   -0.15170879    3.53654484
 C                 -5.36088174    1.20179363    3.30741169
 C                 -6.56553589    1.42863540    2.63916190
 C                 -6.66149638    2.49145351    1.65225063
 C                 -7.51290527    2.02983445    0.56864473
 C                 -7.21930814    2.38584406   -0.75103049
 C                 -3.42846407    1.60236215   -3.05587518
 C                 -7.09674892   -1.02855568   -2.14688172
 C                 -6.05735296   -0.81646628   -3.05035719
 C                 -4.87257927   -1.66112504   -3.01339158
 C                 -4.76208107   -2.67363763   -2.05225175
 C                 -5.84545102   -2.89392424   -1.10793154
 C                 -7.58594790   -1.62608550    0.06934729
 C                 -8.05740606   -0.26929517   -0.14203670
 C                 -7.75323542    0.10144938   -1.51604072
 C                 -7.34348804    1.40324622   -1.81345648
 C                 -6.26206950    1.62579313   -2.75816407
 C                 -5.63190760    0.53652415   -3.36489010
 C                 -3.72601858   -0.83510216   -3.29990458
 C                 -2.53110890   -1.06122086   -2.61017508
 C                 -2.42740109   -2.12963621   -1.64598031
 C                 -3.50778782   -2.94892002   -1.40528290
 C                 -5.29169397   -3.30477723    0.14945613
 C                 -5.83302371   -2.82859499    1.32675282
 C                 -7.00521749   -1.98136429    1.29237108
 C                 -7.93393789    0.67607080    0.87727421
 C                 -7.34384501    0.30212206    2.15430462
 C                 -6.88593258   -1.00074004    2.35386617
 C                 -5.63420569   -1.24162911    3.05704705
 C                 -4.98123258   -2.37581997    2.44441553
 C                 -3.60078452   -2.36817499    2.26943439
 C                 -2.96777549   -2.86037590    1.05785549
 C                 -1.91328120   -2.01215563    0.74706519
 C                 -1.43737563   -1.74680928   -0.59680614
 C                 -4.18701382    0.52541312   -3.51940984
 C                 -1.73928349    0.05548529   -2.13398265
 C                 -6.99479073   -2.09380721   -1.16007488
 C                 -3.77132590   -3.59337941   -0.01525615
 C                 -3.50895211   -5.04663968   -0.01124316
 N                 -3.31508264   -6.19202450    0.00584312
 C                  4.19279764   -1.87810075    2.97264587
 C                  5.63727673   -1.82730097    2.86309590
 C                  6.32447009   -0.62730340    3.07174739
 C                  5.58026712    0.58226473    3.37641401
 C                  4.18767481    0.54395422    3.46852185
 C                  3.47137878   -0.70892722    3.26082882
 C                  3.69975028   -2.78217093    1.95020762
 C                  4.84104219   -3.30710832    1.21717730
 C                  6.04162044   -2.71468329    1.78228853
 C                  7.10413521   -2.36343547    0.94949625
 C                  7.42711566   -0.26226453    2.19946829
 C                  6.23189548    1.69649871    2.70459520
 C                  5.46724379    2.73035865    2.16025421
 C                  4.01891241    2.69093753    2.26068335
 C                  3.39284458    1.61530541    2.89997624
 C                  2.19148549    1.02749095    2.33680742
 C                  2.23180075   -0.41548525    2.58149581
 C                  1.77587497   -1.27199796    1.57023484
 C                  2.51668315   -2.49208280    1.26887740
 C                  4.75020419   -3.52302375   -0.15888445
 C                  3.51389236   -3.22320175   -0.86403353
 C                  2.42252935   -2.71583409   -0.15752852
 C                  1.62494631   -1.63067001   -0.71832528
 C                  1.20230328   -0.76991653    0.35200593
 C                  1.01177047    0.64829931    0.14402732
 C                  1.66348715    1.53055129    1.15649303
 C                  2.32234818    2.62296114    0.48476237
 C                  3.46948728    3.21141247    1.02781008
 C                  7.37456069    1.17492306    1.97774058
 C                  5.62698482    2.83811221   -1.94957920
 C                  6.81532860    2.54978949   -1.27568468
 C                  7.55322871    1.33815889   -1.58974132
 C                  7.07476041    0.46331839   -2.56741176
 C                  5.83734481    0.76137601   -3.26552212
 C                  3.67980581    1.88731027   -2.86360937
 C                  3.28225183    2.76974044   -1.78759843
 C                  4.48559296    3.36160737   -1.21883011
 C                  4.57670377    3.57757980    0.15562825
 C                  5.81297746    3.27866471    0.85802416
 C                  6.91026269    2.77483625    0.15712319
 C                  8.10787106    0.81633985   -0.35236652
 C                  8.15454466   -0.56344102   -0.13919613
 C                  7.65979100   -1.47535475   -1.15644321
 C                  7.12704441   -0.97392222   -2.34505502
 C                  5.92896845   -1.56469077   -2.91546517
 C                  5.12738418   -0.49116841   -3.47664059
 C                  3.73563678   -0.52773615   -3.37254629
 C                  2.99861384    0.68155243   -3.05990934
 C                  2.22653643    2.39834163   -0.94882258
 C                  1.50665670    1.16631545   -1.16554017
 C                  1.89142106    0.31662867   -2.19433026
 C                  1.93054730   -1.13135931   -1.99146115
 C                  3.07792131   -1.64297963   -2.70280748
 C                  3.85333569   -2.68286258   -2.16761263
 C                  5.29877435   -2.62995315   -2.26511676
 C                  5.85566994   -3.15410819   -1.02673689
 C                  7.00926620   -2.58787401   -0.48392642
 C                  7.70707480    1.70172652    0.72754409
 C                  7.81378262   -1.11250720    1.16213644
 C                  5.12807103    1.92662577   -2.96729191

9 87 F

--link1--
%nprocshared=24
%mem=41GB
%chk=tsc60cn_3
#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

9 87 A




