%nprocshared=24
%mem=41GB
%chk=tsc60cn_4
#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                 -1.77835800    0.75839315    2.20597294
 C                 -1.22623004   -0.20257007    1.26035644
 C                 -0.94950123    0.19364628   -0.05450419
 C                 -1.24204436    1.55148740   -0.47711427
 C                 -1.77682373    2.46971481    0.42743184
 C                 -2.04909453    2.06419900    1.79750725
 C                 -2.71658753    0.05852731    3.06702178
 C                 -2.74865846   -1.32901196    2.64574471
 C                 -1.81342662   -1.49501385    1.53160974
 C                 -2.14502193   -2.34834413    0.47977714
 C                 -1.28478266   -0.69365935   -1.14687615
 C                 -1.74263311    1.50359247   -1.84387421
 C                 -2.75865957    2.37377375   -2.24694695
 C                 -3.31568103    3.32841740   -1.30425278
 C                 -2.83624508    3.36999507    0.00823470
 C                 -3.76005599    3.52705235    1.11744002
 C                 -3.27433092    2.72055235    2.22608980
 C                 -4.17691750    2.04834200    3.04961676
 C                 -3.89272691    0.69135688    3.48273043
 C                 -3.95210255   -2.01921870    2.64526977
 C                 -5.16617370   -1.37853870    3.08758194
 C                 -5.14560892   -0.04280660    3.49571856
 C                 -6.20374107    0.85395319    3.07985964
 C                 -5.60815311    2.14629978    2.79614526
 C                 -6.07347137    2.92134440    1.73219444
 C                 -5.13125542    3.62201524    0.87541320
 C                 -5.63273617    3.57216996   -0.48775353
 C                 -4.74178536    3.42725943   -1.55531730
 C                 -1.77116381    0.11364755   -2.25676984
 C                 -6.29295938    0.43771905   -3.06463983
 C                 -5.11697600   -0.18926636   -3.47151350
 C                 -4.82856245   -1.55050879   -3.04450037
 C                 -5.72021422   -2.22556783   -2.20162803
 C                 -6.94638847   -1.57096501   -1.77507304
 C                 -7.78628821    0.67902855   -1.27026883
 C                 -7.19590501    1.97810704   -1.53799768
 C                 -6.26928359    1.82820020   -2.65009435
 C                 -5.06727146    2.53962760   -2.65796713
 C                 -3.84091591    1.88788215   -3.08545463
 C                 -3.86607854    0.54937835   -3.48483140
 C                 -3.41207825   -1.64936710   -2.79389217
 C                 -2.96066957   -2.41400265   -1.71397167
 C                 -3.89297358   -3.12790594   -0.87546733
 C                 -5.24291791   -3.07204800   -1.14178832
 C                 -7.25761523   -1.98885294   -0.43904221
 C                 -7.75302808   -1.07438605    0.46877458
 C                 -8.03195863    0.28178833    0.04924028
 C                 -6.87895688    2.82917654   -0.47819555
 C                 -7.14870849    2.42184692    0.89299758
 C                 -7.71079486    1.17064930    1.14896963
 C                 -7.23362441    0.36292863    2.26216628
 C                 -7.26876547   -1.02531051    1.86261984
 C                 -6.23803876   -1.88041183    2.24040003
 C                 -5.67650284   -2.86874301    1.33554397
 C                 -4.30197269   -2.89959896    1.52981506
 C                 -3.33164012   -3.22895527    0.50372341
 C                 -2.80920871   -0.35518197   -3.06469495
 C                 -1.87905390   -1.93185918   -0.87825369
 C                 -7.23246467   -0.26846375   -2.20581524
 C                 -6.31734217   -3.15647396   -0.02132442
 C                 -7.04100170   -4.44371898   -0.03310021
 N                 -7.62527477   -5.44791334   -0.03463960
 C                  4.33983503   -1.80652348    3.07313060
 C                  5.77476462   -1.60524656    3.03355338
 C                  6.31804592   -0.32631668    3.19150303
 C                  5.43378962    0.81177189    3.37194702
 C                  4.05005949    0.62742877    3.39589380
 C                  3.48342071   -0.70707705    3.24115851
 C                  4.00516860   -2.82336571    2.09341184
 C                  5.23609221   -3.26667243    1.45800161
 C                  6.33256669   -2.51116839    2.03994971
 C                  7.39847576   -2.10046723    1.23931366
 C                  7.42462403    0.09989687    2.35258804
 C                  6.00184933    1.94475409    2.65700863
 C                  5.16505939    2.85136939    2.00302315
 C                  3.72563166    2.66036720    2.03251570
 C                  3.18075163    1.56636408    2.71362047
 C                  2.08290220    0.81547355    2.13324243
 C                  2.26123386   -0.59555550    2.48091021
 C                  1.95774500   -1.56044249    1.51084903
 C                  2.83955089   -2.70911959    1.33427221
 C                  5.24847276   -3.57983968    0.09778473
 C                  4.03035006   -3.46330360   -0.68846701
 C                  2.85238519   -3.03368041   -0.07571324
 C                  1.97843586   -2.08084372   -0.75138151
 C                  1.40588896   -1.20401428    0.23273879
 C                  1.07892410    0.16840227   -0.08421674
 C                  1.57398682    1.18031108    0.89514198
 C                  2.15152769    2.29244283    0.18219827
 C                  3.19665101    3.03673276    0.73974075
 C                  7.23342309    1.50533179    2.02758296
 C                  5.55040289    2.70970440   -2.09078927
 C                  6.72150311    2.59730519   -1.33891465
 C                  7.60026460    1.45587375   -1.52888671
 C                  7.27438787    0.47251635   -2.46533205
 C                  6.05494803    0.58763723   -3.24450303
 C                  3.77086096    1.49449070   -3.03284433
 C                  3.22060038    2.39593265   -2.04332554
 C                  4.31966467    3.15142200   -1.45755488
 C                  4.30764182    3.46457184   -0.09892555
 C                  5.52579037    3.34875295    0.68451749
 C                  6.70893553    2.92365069    0.07739661
 C                  8.13430563    1.07903695   -0.23126818
 C                  8.31409737   -0.27065382    0.08086163
 C                  7.97826515   -1.29512662   -0.89321828
 C                  7.46528896   -0.93296007   -2.13971031
 C                  6.37143054   -1.68689038   -2.72692752
 C                  5.49476134   -0.74606312   -3.40235380
 C                  4.11099121   -0.92780937   -3.36654612
 C                  3.23343027    0.21130309   -3.17777863
 C                  2.16322388    1.96637482   -1.23496175
 C                  1.59134655    0.65157910   -1.40034117
 C                  2.12271420   -0.21572728   -2.34577671
 C                  2.30281844   -1.63456434   -2.03947650
 C                  3.53711598   -2.06259325   -2.65391684
 C                  4.38575663   -2.97459762   -2.00807276
 C                  5.82071782   -2.77034353   -2.03575000
 C                  6.35718430   -3.14918590   -0.73685120
 C                  7.41107930   -2.42624212   -0.17764972
 C                  7.58028800    1.98330924    0.76176265
 C                  7.95843412   -0.76830569    1.39877862
 C                  5.21042269    1.68517031   -3.06557387

3 87 F

--link1--
%nprocshared=24
%mem=41GB
%chk=tsc60cn_4
#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

3 87 A




