%nprocshared=24
%mem=41GB
%chk=tsc60cn_5
#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                 -1.66654148   -1.27678172    1.72766184
 C                 -1.82951124   -2.19023330    0.60448187
 C                 -1.50234957   -1.76788039   -0.69051155
 C                 -1.03095925   -0.41255560   -0.91141684
 C                 -0.88110756    0.46393000    0.16406058
 C                 -1.20463914    0.02133844    1.51132489
 C                 -2.75110086   -1.51389182    2.66521274
 C                 -3.58537281   -2.56520443    2.11521251
 C                 -3.00644338   -2.99501785    0.84100174
 C                 -3.85068153   -3.32924616   -0.21731448
 C                 -2.37220455   -2.12073207   -1.79135188
 C                 -1.59775738    0.06659135   -2.16444271
 C                 -1.99332886    1.40088944   -2.28758764
 C                 -1.83817899    2.31226669   -1.16704772
 C                 -1.29738925    1.84917820    0.03599277
 C                 -1.87228137    2.26642907    1.30241718
 C                 -1.81503626    1.13708215    2.21717068
 C                 -2.85824589    0.91074907    3.11450727
 C                 -3.33510275   -0.44135664    3.34726909
 C                 -4.96349102   -2.49418146    2.25807322
 C                 -5.57206911   -1.39986314    2.97374058
 C                 -4.77723629   -0.38279019    3.50757770
 C                 -5.19409415    0.99824780    3.38218226
 C                 -4.01142348    1.80078034    3.13196199
 C                 -4.06509142    2.88503204    2.25405278
 C                 -2.97639418    3.11989658    1.32004978
 C                 -3.54467943    3.59724504    0.07049732
 C                 -2.98639936    3.19985117   -1.14806178
 C                 -2.42966010   -0.99013978   -2.70712205
 C                 -6.06553745    1.83514476   -2.65737687
 C                 -5.47761100    0.76589051   -3.33015590
 C                 -5.95389618   -0.59085604   -3.10455721
 C                 -6.98785279   -0.82893443   -2.19053655
 C                 -7.60018291    0.28623685   -1.48668846
 C                 -7.00168465    2.49899180   -0.61019244
 C                 -5.81811454    3.30690914   -0.84314598
 C                 -5.23720185    2.89460060   -2.11216152
 C                 -3.84927977    2.84340786   -2.26074039
 C                 -3.23530238    1.73067213   -2.96523779
 C                 -4.03466656    0.71214342   -3.48996968
 C                 -4.81368572   -1.47324547   -3.12227502
 C                 -4.76428375   -2.54443539   -2.22518126
 C                 -5.85379969   -2.79213888   -1.31219921
 C                 -6.96423871   -1.97781306   -1.32617499
 C                 -7.96594011   -0.13954475   -0.16706635
 C                 -7.78530227    0.71226223    0.90419913
 C                 -7.30328995    2.05839209    0.68370252
 C                 -4.98651143    3.64560241    0.22534787
 C                 -5.30886081    3.19996465    1.57306884
 C                 -6.44357383    2.41869162    1.79442169
 C                 -6.39366284    1.29205468    2.71502432
 C                 -7.22885732    0.23779176    2.18676301
 C                 -6.81510201   -1.08721636    2.28409593
 C                 -6.98169249   -2.03580192    1.19629141
 C                 -5.84370780   -2.82928498    1.13796528
 C                 -5.31813334   -3.42896101   -0.07325109
 C                 -3.62278076   -0.67545417   -3.36097018
 C                 -3.52517460   -2.87645824   -1.55053418
 C                 -7.15485789    1.59390670   -1.72242810
 C                 -7.79650631   -1.68187337   -0.04683730
 C                 -9.10957095   -2.35747772   -0.06237903
 N                -10.14953130   -2.87542070   -0.06349915
 C                  4.29612265   -2.19736890    2.80844784
 C                  5.73960696   -2.17233514    2.67872480
 C                  6.46025799   -1.01130121    2.97609090
 C                  5.75183701    0.18566652    3.39456767
 C                  4.36027164    0.17330084    3.50707463
 C                  3.60919637   -1.03978978    3.20669924
 C                  3.76478188   -2.99927490    1.72196621
 C                  4.88110560   -3.48752259    0.92768950
 C                  6.10480634   -2.97432465    1.52004970
 C                  7.16322746   -2.57943728    0.70171948
 C                  7.55854730   -0.60029514    2.11889426
 C                  6.42144536    1.33682630    2.80810948
 C                  5.67527268    2.43129181    2.36625284
 C                  4.22809016    2.41845914    2.48791606
 C                  3.58452414    1.30789328    3.04478860
 C                  2.36018984    0.79914199    2.45476633
 C                  2.36738133   -0.65994189    2.57601213
 C                  1.87452771   -1.41631995    1.50404262
 C                  2.57933719   -2.62396222    1.08803319
 C                  4.76400508   -3.58366262   -0.45992051
 C                  3.52522740   -3.19534824   -1.11584518
 C                  2.45796166   -2.72355647   -0.35033824
 C                  1.67993197   -1.57579592   -0.80369057
 C                  1.29560379   -0.79900106    0.34261401
 C                  1.13818402    0.63593004    0.25843710
 C                  1.82741718    1.41311951    1.33040922
 C                  2.50369972    2.54235818    0.74207160
 C                  3.67355002    3.05475946    1.31303489
 C                  7.53932083    0.85137019    2.02024568
 C                  5.77558293    2.88343777   -1.72194488
 C                  6.96623462    2.51038708   -1.09536168
 C                  7.66816103    1.31231366   -1.52325917
 C                  7.15281496    0.53537357   -2.56292249
 C                  5.91299537    0.92135994   -3.21196459
 C                  3.79119606    2.06088001   -2.67933144
 C                  3.43258462    2.85817971   -1.52596994
 C                  4.65908806    3.37044479   -0.93006095
 C                  4.77643848    3.46677104    0.45595173
 C                  6.01515957    3.07959453    1.10921071
 C                  7.08851988    2.61070980    0.34948384
 C                  8.22794984    0.67416665   -0.34409653
 C                  8.24263239   -0.71944775   -0.24902503
 C                  7.70946447   -1.52956597   -1.33096768
 C                  7.17177873   -0.91639139   -2.46364704
 C                  5.95054135   -1.42755016   -3.06118967
 C                  5.16820953   -0.29125726   -3.51583331
 C                  3.77771429   -0.30292427   -3.39125188
 C                  3.07658349    0.89291555   -2.96498165
 C                  2.38053633    2.44254816   -0.70349695
 C                  1.62627447    1.25108363   -1.01104070
 C                  1.97365068    0.48270228   -2.11437210
 C                  1.97889384   -0.97779732   -2.03519270
 C                  3.10196434   -1.45476624   -2.80684638
 C                  3.85860313   -2.55471510   -2.37479574
 C                  5.30328241   -2.52862502   -2.49235611
 C                  5.86527910   -3.16923857   -1.31242818
 C                  7.04101348   -2.67910356   -0.74368833
 C                  7.86623189    1.47415875    0.81345559
 C                  7.90768199   -1.36855147    1.00697318
 C                  5.23826057    2.07388508   -2.80424372

5 87 F

--link1--
%nprocshared=24
%mem=41GB
%chk=tsc60cn_5
#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

5 87 A




