%nprocshared=24
%mem=41GB
%chk=tsc120cn2c_dissoc
#p opt=(loose,modredundant) b3lyp 6-31G(d) scrf=(pcm,solvent=n,n-dimethylformamide) nosymm empiricaldispersion=gd3 scf=(xqc,maxcyc=1024,conver=6)

preopt loose

0 1
 C                 -3.76492586    2.88657311    2.09582882
 C                 -3.05562892    3.23705431    0.87726128
 C                 -3.77427326    3.61091163   -0.26432126
 C                 -5.22609861    3.63240257   -0.23479089
 C                 -5.90439387    3.29133772    0.93748173
 C                 -5.15874122    2.91722635    2.12869849
 C                 -3.04214923    1.80995862    2.75005824
 C                 -1.88576971    1.48630307    1.94778119
 C                 -1.89355764    2.38181299    0.76637406
 C                 -1.48581543    1.92583711   -0.47010444
 C                 -3.36047195    3.11478506   -1.55519466
 C                 -5.70920060    3.15030613   -1.51935780
 C                 -6.84899004    2.34388486   -1.57654211
 C                 -7.55662202    1.99575942   -0.35693700
 C                 -7.09086455    2.45870941    0.87615923
 C                 -7.08752725    1.57846649    2.03487789
 C                 -5.89392929    1.86089442    2.80869166
 C                 -5.20225930    0.82285601    3.43669942
 C                 -3.75191378    0.79866169    3.41334019
 C                 -1.49035293    0.17056131    1.81971605
 C                 -2.23441664   -0.87104458    2.45849073
 C                 -3.33627359   -0.57576830    3.26627743
 C                 -4.52199008   -1.42004469    3.22337511
 C                 -5.67594485   -0.55059501    3.31079760
 C                 -6.83057447   -0.82137615    2.56729211
 C                 -7.53974221    0.26167211    1.91148114
 C                 -8.01627099   -0.22180327    0.62512850
 C                 -8.02524362    0.62591767   -0.48402373
 C                 -4.55339504    2.82710710   -2.33669203
 C                 -6.03337791   -1.51668019   -2.73254989
 C                 -5.33572813   -0.49909015   -3.38670217
 C                 -3.88341877   -0.51255139   -3.40011132
 C                 -3.17942689   -1.53308586   -2.74932235
 C                 -3.91129860   -2.58433758   -2.06571045
 C                 -6.02353307   -2.94472444   -0.86710386
 C                 -7.18643669   -2.08288949   -0.76437480
 C                 -7.19357432   -1.19875545   -1.92158115
 C                 -7.60773315    0.12817090   -1.78407847
 C                 -6.88152371    1.18968198   -2.45996465
 C                 -5.76808194    0.88152663   -3.24622300
 C                 -3.42043311    0.84816897   -3.27914940
 C                 -2.27990993    1.11090467   -2.51558469
 C                 -1.53535869    0.04520958   -1.89162784
 C                 -1.97694915   -1.25243090   -2.00158937
 C                 -3.17294572   -2.97285180   -0.89536781
 C                 -3.85756188   -3.31647615    0.26869359
 C                 -5.30953534   -3.29285908    0.28234195
 C                 -7.59158335   -1.60365804    0.48269616
 C                 -6.85384141   -1.97164565    1.68066077
 C                 -5.73439179   -2.80209849    1.57954579
 C                 -4.53596331   -2.51992491    2.35749073
 C                 -3.37809231   -2.87919897    1.56279714
 C                 -2.25723857   -2.02038106    1.55664732
 C                 -1.48872540   -1.72721164    0.40258368
 C                 -0.79635723   -0.37972748    0.58769945
 C                 -0.79528541    0.58405270   -0.67672629
 C                 -4.58159595    1.71889826   -3.18304834
 C                 -2.24932953    2.26718950   -1.63814195
 C                 -5.31072555   -2.59383963   -2.07741219
 C                 -1.86379851   -2.25710901   -0.87378937
 C                 -0.63353513   -3.65140311   -1.49469880
 N                 -0.19285412   -4.71675276   -1.26547512
 C                  3.76952431    0.94041080    3.38356265
 C                  5.22095033    0.96071133    3.39965382
 C                  5.91320725    1.96960958    2.72662597
 C                  5.17952949    2.99988649    2.00837104
 C                  3.78550175    2.97025072    1.98125549
 C                  3.06202567    1.92199458    2.67917937
 C                  3.34234002   -0.43591145    3.29969993
 C                  4.52643868   -1.28140098    3.26395339
 C                  5.69034749   -0.41444339    3.32570643
 C                  6.83036563   -0.72331625    2.58095735
 C                  7.09942091    1.64846807    1.95671278
 C                  5.92145995    3.32375784    0.79991351
 C                  5.23805023    3.61989555   -0.38127220
 C                  3.78653373    3.60341593   -0.40397253
 C                  3.07159429    3.27576570    0.75406893
 C                  1.90512508    2.42335582    0.68093546
 C                  1.89798005    1.57061032    1.89387002
 C                  1.47786454    0.25803973    1.83101079
 C                  2.22844037   -0.75948801    2.51796672
 C                  4.54698610   -2.42380833    2.46408014
 C                  3.38267598   -2.77357824    1.66385583
 C                  2.25179790   -1.94815612    1.68291869
 C                  1.51738000   -1.66403971    0.47928682
 C                  0.78979625   -0.34023530    0.61357833
 C                  0.78976918    0.58362718   -0.68706417
 C                  1.49084394    1.92402893   -0.53595687
 C                  2.24705754    2.22068418   -1.72154911
 C                  3.36432055    3.06168284   -1.67352778
 C                  7.10412106    2.48565313    0.76520644
 C                  5.75318257    0.75304123   -3.28642941
 C                  6.86970107    1.08379123   -2.51610942
 C                  7.59327714    0.04597180   -1.80244381
 C                  7.17105007   -1.28260433   -1.88574883
 C                  6.00878961   -1.62590692   -2.68208948
 C                  3.86053423   -0.63727810   -3.38687944
 C                  3.40402426    0.73017961   -3.31361592
 C                  4.57088933    1.59701739   -3.25037556
 C                  4.55155755    2.73783107   -2.44913897
 C                  5.71284757    3.08409471   -1.64748212
 C                  6.84925578    2.27348785   -1.67974046
 C                  8.02051100    0.59283389   -0.52535605
 C                  8.01553225   -0.20971656    0.61632027
 C                  7.58223720   -1.59432141    0.53056615
 C                  7.16497841   -2.11983065   -0.69408360
 C                  5.99974494   -2.98044331   -0.75491527
 C                  5.27952220   -2.67081591   -1.98036099
 C                  3.88518885   -2.66724736   -1.98425236
 C                  3.15690591   -1.63269449   -2.69906417
 C                  2.26521611    1.03265868   -2.55843956
 C                  1.51542360    0.00028174   -1.89321698
 C                  1.96961470   -1.30189237   -1.94041803
 C                  1.97183161   -2.15123500   -0.72586624
 C                  3.15068838   -2.98668626   -0.77291641
 C                  3.84471960   -3.30441958    0.40156930
 C                  5.29676546   -3.29156694    0.41121986
 C                  5.73224423   -2.74623199    1.68759612
 C                  6.85151144   -1.91290475    1.74466992
 C                  7.55901990    1.96883675   -0.44969284
 C                  7.54950459    0.32849257    1.88350089
 C                  5.31252998   -0.63040091   -3.37074542
 Na                 0.47420511   -5.10881143    0.97481117

60 61 F
61 62 F
60 61 62 F

--link1--
%nprocshared=24
%mem=41GB
%chk=tsc120cn2c_dissoc
#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

0 1

60 61 A
61 62 A
60 61 62 A










