%nprocshared=24
%mem=41GB
%chk=tsc60cn_2
#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                 -4.09577608    3.11475406    1.73824476
 C                 -3.15212093    3.20502141    0.63196589
 C                 -3.62363260    3.40712488   -0.67158911
 C                 -5.05165434    3.49568661   -0.91821434
 C                 -5.95532165    3.40279269    0.14107331
 C                 -5.46624584    3.20960386    1.49723112
 C                 -3.59192436    2.13362717    2.68429731
 C                 -2.34484516    1.61421792    2.15630521
 C                 -2.06417180    2.28857098    0.88745440
 C                 -1.49563851    1.56655092   -0.16132430
 C                 -3.02949433    2.66549182   -1.76245186
 C                 -5.33753231    2.82160732   -2.17710539
 C                 -6.51328207    2.08093003   -2.32202788
 C                 -7.45278373    1.98369396   -1.21831982
 C                 -7.17445180    2.62843521   -0.00958040
 C                 -7.44397847    1.96136379    1.25168925
 C                 -6.38858961    2.32038247    2.18589230
 C                 -5.90553943    1.37619680    3.09137663
 C                 -4.47935660    1.28149400    3.34982255
 C                 -2.04416871    0.26790403    2.30360026
 C                 -2.94655205   -0.61379474    3.00245020
 C                 -4.14973900   -0.12311674    3.51504647
 C                 -5.36470842   -0.89689557    3.36714102
 C                 -6.45178984    0.02569839    3.09797013
 C                 -7.46539063   -0.31774128    2.20138259
 C                 -7.96826016    0.66797308    1.25889967
 C                 -8.25206818   -0.00705578    0.00351923
 C                 -7.99804280    0.63862784   -1.21017289
 C                 -4.08600714    2.30593538   -2.69769243
 C                 -5.82657228   -1.95722242   -2.68252617
 C                 -4.94352445   -1.10220193   -3.33884948
 C                 -3.51289850   -1.19509723   -3.08748638
 C                 -3.02133615   -2.12721762   -2.16515271
 C                 -3.94257152   -3.01814450   -1.47847084
 C                 -6.25017632   -3.03925493   -0.64345927
 C                 -7.34299599   -2.11726008   -0.89546454
 C                 -7.07980456   -1.44572216   -2.15943663
 C                 -7.40211392   -0.09531155   -2.31283779
 C                 -6.48365598    0.79654519   -3.00021845
 C                 -5.27800965    0.30188951   -3.50366665
 C                 -2.97050400    0.14085374   -3.09442346
 C                 -1.96867441    0.47664841   -2.17886625
 C                 -1.45284395   -0.50637591   -1.25717197
 C                 -1.93716476   -1.79527829   -1.28085111
 C                 -3.45779488   -3.25650713   -0.15007117
 C                 -4.34592804   -3.31309676    0.90531123
 C                 -5.76796879   -3.21182709    0.65921212
 C                 -7.91260432   -1.40861870    0.16346402
 C                 -7.42092270   -1.59984791    1.52012702
 C                 -6.36672174   -2.48197326    1.75986327
 C                 -5.31206970   -2.13075220    2.69989727
 C                 -4.06229314   -2.65027043    2.19369618
 C                 -2.89992583   -1.89456919    2.31257243
 C                 -1.92210563   -1.79833942    1.24229533
 C                 -1.46397650   -0.48847904    1.19320422
 C                 -1.00650966    0.18026026   -0.00945816
 C                 -4.05544892    1.07264693   -3.35202193
 C                 -1.99531713    1.75888143   -1.50362705
 C                 -5.31741539   -2.94181869   -1.73898312
 C                 -2.02072217   -2.67748057   -0.00347415
 C                 -1.01589096   -3.75966940   -0.00171152
 N                 -0.23676079   -4.62140545    0.01057068
 C                  4.44180048   -2.18664151    2.74146724
 C                  5.86263889   -1.90031528    2.72310548
 C                  6.33812427   -0.63658736    3.08734403
 C                  5.39653922    0.40356903    3.46311943
 C                  4.02560427    0.13942130    3.46843492
 C                  3.52989209   -1.18088158    3.09830247
 C                  4.14519550   -3.04399874    1.60886730
 C                  5.38660479   -3.30488295    0.89733210
 C                  6.45071378   -2.59541554    1.58728448
 C                  7.47774391   -1.99749674    0.85683402
 C                  7.40420671   -0.01472644    2.32137491
 C                  5.88870251    1.67000554    2.94216719
 C                  4.99181905    2.62357576    2.45619434
 C                  3.56574412    2.34878386    2.46636822
 C                  3.09397376    1.12765874    2.96025785
 C                  2.02826916    0.42239423    2.27263564
 C                  2.28969050   -1.01432383    2.37836237
 C                  2.02155333   -1.82036378    1.26367266
 C                  2.96134085   -2.87172590    0.88996531
 C                  5.39108483   -3.38656003   -0.49612610
 C                  4.15418962   -3.21051553   -1.24090390
 C                  2.96598204   -2.95632759   -0.55446691
 C                  2.02908038   -1.95576568   -1.05377037
 C                  1.42769869   -1.28856935    0.06797903
 C                  1.02056171    0.09658232   -0.01257128
 C                  1.47755951    0.95826399    1.11740558
 C                  1.98036270    2.20438176    0.59485543
 C                  2.99336967    2.90394258    1.25933676
 C                  7.13065877    1.41198839    2.23717472
 C                  5.30910192    3.18597773   -1.60716563
 C                  6.49819581    3.01704156   -0.89516771
 C                  7.43430267    1.97486430   -1.28084552
 C                  7.14543986    1.14378429   -2.36527238
 C                  5.90743691    1.31718461   -3.10329325
 C                  3.58153542    2.04490680   -2.72271603
 C                  3.00115901    2.73670411   -1.59173795
 C                  4.06792448    3.44566943   -0.89804252
 C                  4.06377336    3.52761340    0.49384433
 C                  5.30060367    3.35274292    1.23597235
 C                  6.49383964    3.10236471    0.55579676
 C                  8.01184373    1.41872495   -0.06916281
 C                  8.27072296    0.04837815    0.01174747
 C                  7.97347405   -0.81749400   -1.11655567
 C                  7.41870205   -0.28309088   -2.28046841
 C                  6.35702216   -0.98998507   -2.97537680
 C                  5.41806498   -0.00144095   -3.47642109
 C                  4.04716611   -0.26500440   -3.45897779
 C                  3.11236225    0.77515824   -3.07488539
 C                  1.98381821    2.11942322   -0.85689170
 C                  1.48160515    0.81999431   -1.23418257
 C                  2.04206636    0.15340609   -2.31583116
 C                  2.30492404   -1.28402704   -2.25220917
 C                  3.54925287   -1.53316181   -2.94055044
 C                  4.45811203   -2.49001125   -2.46361049
 C                  5.87903798   -2.20272878   -2.46974312
 C                  6.45913341   -2.76091726   -1.25715464
 C                  7.48209287   -2.08214779   -0.59467851
 C                  7.42762652    2.11251166    1.06578405
 C                  7.96700150   -0.68066719    1.23129865
 C                  5.00770232    2.31992640   -2.73613641

56 87 F

--link1--
%nprocshared=24
%mem=41GB
%chk=tsc60cn_2
#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

56 87 A




