%nprocshared=24
%mem=41GB
%chk=tsc60cn_6
#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                 -3.99517190   -3.39624277   -1.31142547
 C                 -4.30588478   -2.62925370   -2.51045485
 C                 -3.37770249   -1.70459540   -3.00634734
 C                 -2.12336239   -1.49313847   -2.30646869
 C                 -1.82906581   -2.22356685   -1.15442784
 C                 -2.78485104   -3.19597107   -0.64788492
 C                 -5.22131661   -3.56186160   -0.54943368
 C                 -6.28301017   -2.88975491   -1.27389728
 C                 -5.71784129   -2.32097786   -2.49888249
 C                 -6.16759841   -1.08034588   -2.94947173
 C                 -3.84293176   -0.42008225   -3.48236113
 C                 -1.80339912   -0.07368250   -2.36716484
 C                 -1.20564190    0.55545661   -1.27223875
 C                 -0.90085247   -0.20543064   -0.07288739
 C                 -1.21235797   -1.56700316   -0.01548099
 C                 -1.77994074   -2.13486114    1.19440212
 C                 -2.75263571   -3.14381522    0.80536279
 C                 -3.92944972   -3.29921446    1.53726839
 C                 -5.18959324   -3.51609621    0.84823936
 C                 -7.25713714   -2.19211606   -0.57458338
 C                 -7.24033822   -2.15361031    0.86705276
 C                 -6.22244984   -2.79813651    1.57392466
 C                 -5.60967750   -2.14430032    2.71136420
 C                 -4.19050362   -2.44563964    2.68858927
 C                 -3.25584541   -1.47796660    3.06172395
 C                 -2.02937876   -1.31802846    2.29819007
 C                 -1.71275114    0.09914643    2.23858059
 C                 -1.16045836    0.64352887    1.07535006
 C                 -2.86926528    0.59007550   -3.09283579
 C                 -3.67863068    3.28983883    0.54866349
 C                 -3.70864034    3.23527976   -0.84335538
 C                 -4.96888902    3.02263235   -1.53981635
 C                 -6.15212003    2.84612541   -0.81181151
 C                 -6.12095615    2.90083189    0.64077009
 C                 -4.60760488    2.37339499    2.49934701
 C                 -3.19020491    2.05921245    2.48921527
 C                 -2.61442040    2.62676624    1.27916848
 C                 -1.61906122    1.93249906    0.58759256
 C                 -1.64732292    1.87790990   -0.86419493
 C                 -2.67236146    2.51756514   -1.56552548
 C                 -4.71209805    2.17847600   -2.68019495
 C                 -5.64800519    1.20118165   -3.03181856
 C                 -6.87605065    1.05528527   -2.28847691
 C                 -7.14386823    1.89163643   -1.22772851
 C                 -7.08671383    1.97828115    1.16296072
 C                 -6.78476881    1.22779619    2.28162797
 C                 -5.52883861    1.43071613    2.97045529
 C                 -2.74995918    0.81888602    2.95368271
 C                 -3.70697121   -0.15525303    3.45770159
 C                 -5.06939526    0.14598682    3.46137997
 C                 -6.04751758   -0.86271692    3.08045401
 C                 -7.11898237   -0.20781837    2.36550560
 C                 -7.68947783   -0.82504389    1.25650548
 C                 -8.03657112   -0.09176334    0.05122066
 C                 -7.71210845   -0.88245785   -1.04310682
 C                 -7.31192896   -0.37119701   -2.33977705
 C                 -3.29394824    1.86226489   -2.70391439
 C                 -5.20873918   -0.11777627   -3.44190969
 C                 -4.90984229    3.12806173    1.30819634
 C                 -7.97300742    1.43414637    0.00522957
 C                 -9.31564983    2.04818573    0.03822287
 N                -10.37205013    2.52964172    0.08296960
 C                  4.85674198   -3.33615000   -1.10538431
 C                  6.25256493   -3.09720841   -0.79605128
 C                  6.67017483   -2.93861908    0.52917160
 C                  5.69132300   -2.98961627    1.60106863
 C                  4.34295866   -3.20426487    1.30934187
 C                  3.90838316   -3.37953404   -0.07136560
 C                  4.54193099   -2.61937461   -2.32724586
 C                  5.74858920   -1.94971470   -2.78656224
 C                  6.80839835   -2.24507891   -1.83720942
 C                  7.74628216   -1.26499672   -1.51214252
 C                  7.64314364   -1.91364301    0.86489055
 C                  6.06802689   -2.00672940    2.60580987
 C                  5.08331633   -1.28516907    3.28371953
 C                  3.68102195   -1.51277089    2.98193861
 C                  3.32002293   -2.45243797    2.01016379
 C                  2.25851115   -2.15784970    1.06551618
 C                  2.61612857   -2.75404777   -0.22302395
 C                  2.32759984   -2.03296615   -1.38961024
 C                  3.30550068   -1.98809304   -2.47123700
 C                  5.66791859   -0.68501976   -3.37175958
 C                  4.37675081   -0.03276334   -3.52355779
 C                  3.22187236   -0.67711171   -3.07778270
 C                  2.19348629    0.07049578   -2.36243808
 C                  1.62524487   -0.77977117   -1.35284390
 C                  1.12738351   -0.23773910   -0.10816350
 C                  1.60148972   -0.93715974    1.12237464
 C                  1.98996521    0.04074557    2.10800500
 C                  2.99785454   -0.23880687    3.03704396
 C                  7.27547324   -1.34206179    2.15157109
 C                  5.10067283    2.71768549    2.33255562
 C                  6.34166375    2.09445798    2.47730984
 C                  7.31454547    2.15346263    1.39972157
 C                  7.00891212    2.83565922    0.22018210
 C                  5.71724527    3.48059272    0.06835569
 C                  3.37970776    3.19684006    0.80295709
 C                  2.83143548    2.34865335    1.83954212
 C                  3.89416433    2.04985315    2.78988918
 C                  3.97504391    0.78674120    3.37477185
 C                  5.26590151    0.13736454    3.52669115
 C                  6.42595369    0.77769600    3.08692446
 C                  8.00322140    0.87525515    1.34558518
 C                  8.35252256    0.32590093    0.10961839
 C                  8.03788450    1.03555233   -1.11861499
 C                  7.37634713    2.26343559   -1.06643687
 C                  6.31847415    2.56453482   -2.01512293
 C                  5.28868447    3.30923963   -1.31166473
 C                  3.94110498    3.08354435   -1.59841343
 C                  2.96954502    3.02539143   -0.52323295
 C                  1.90470464    1.35829123    1.49841188
 C                  1.46187743    1.19667966    0.13427567
 C                  1.99192520    2.00652458   -0.86152596
 C                  2.34829041    1.44928302   -2.16607248
 C                  3.55861938    2.10190055   -2.60587952
 C                  4.55487788    1.38853831   -3.28972221
 C                  5.95152005    1.61647796   -2.97502630
 C                  6.64292757    0.33690078   -3.03064815
 C                  7.66190725    0.05251674   -2.12133258
 C                  7.45125592    0.02378326    2.38533701
 C                  8.17492871   -1.09554416   -0.13330794
 C                  4.78186907    3.42754639    1.10376625

14 87 F

--link1--
%nprocshared=24
%mem=41GB
%chk=tsc60cn_6
#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

14 87 A




