%nprocshared=36
%mem=41GB
%chk=tsc120cn2c_dissoc_an
#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

-1 1
 C                 -3.76009218    3.48899940    0.50059198
 C                 -3.04649972    3.20579426   -0.73280495
 C                 -3.76152091    2.97930762   -1.91499259
 C                 -5.21346093    3.01158350   -1.90493735
 C                 -5.89561364    3.28132193   -0.71647678
 C                 -5.15425980    3.53144483    0.50945278
 C                 -3.04020579    2.86447996    1.59683412
 C                 -1.88118347    2.19301947    1.05667775
 C                 -1.88473981    2.40419612   -0.41071503
 C                 -1.47372533    1.40648888   -1.26977290
 C                 -3.34453723    1.91981447   -2.80219463
 C                 -5.69345297    1.96739436   -2.79659174
 C                 -6.83373150    1.23345322   -2.45886238
 C                 -7.54631087    1.52007668   -1.22624218
 C                 -7.08340549    2.52263524   -0.37049853
 C                 -7.08529236    2.31421401    1.06949390
 C                 -5.89361687    2.93650684    1.61333727
 C                 -5.20510147    2.33315062    2.66759605
 C                 -3.75479765    2.30111124    2.66393199
 C                 -1.48768793    0.97888422    1.58336385
 C                 -2.23945812    0.37730533    2.64034369
 C                 -3.34193504    1.02707811    3.20140770
 C                 -4.52852402    0.26822430    3.57097464
 C                 -5.68033830    1.07011034    3.22124124
 C                 -6.83462062    0.47315862    2.70014418
 C                 -7.53867942    1.10238845    1.59845911
 C                 -8.01249069    0.05594232    0.70598026
 C                 -8.01700585    0.26014797   -0.67522476
 C                 -4.53548470    1.28816449   -3.34991851
 C                 -6.01942253   -2.70322829   -1.59406542
 C                 -5.32049799   -2.13149964   -2.65933137
 C                 -3.86874057   -2.14821081   -2.65680069
 C                 -3.17043007   -2.72491187   -1.58907210
 C                 -3.90141582   -3.31809358   -0.48331755
 C                 -6.01957973   -3.05003221    0.72882159
 C                 -7.18138873   -2.24545386    0.39642048
 C                 -7.18221464   -2.03237756   -1.04381529
 C                 -7.59465630   -0.80538152   -1.56898883
 C                 -6.86518181   -0.20425758   -2.67222150
 C                 -5.75015666   -0.85512871   -3.20655351
 C                 -3.40334635   -0.89875703   -3.20934305
 C                 -2.26556397   -0.29724752   -2.66532344
 C                 -1.52481538   -0.92498008   -1.59865386
 C                 -1.97697212   -2.10708618   -1.06393132
 C                 -3.16189007   -3.10088283    0.73203314
 C                 -3.85613862   -2.82406266    1.91045838
 C                 -5.30929186   -2.79642433    1.90445804
 C                 -7.58967011   -1.22160260    1.25293520
 C                 -6.85599346   -0.96262520    2.48154383
 C                 -5.73796172   -1.73834251    2.79899589
 C                 -4.54041098   -1.11356278    3.34380123
 C                 -3.38248409   -1.81364277    2.82923731
 C                 -2.26121920   -1.06482291    2.40631082
 C                 -1.48024417   -1.37213950    1.26983495
 C                 -0.78982244   -0.10149486    0.77727366
 C                 -0.78572153    0.13234714   -0.79598599
 C                 -4.56291464   -0.09160886   -3.55337221
 C                 -2.23463860    1.13897463   -2.45894834
 C                 -5.30132214   -3.33031739   -0.49672817
 C                 -1.84751889   -2.46224670    0.40930872
 C                 -0.61909151   -3.95309868    0.20054154
 N                 -0.24600174   -4.86121771   -0.44298350
 C                  3.78758649    2.39034786    2.58411524
 C                  5.23925791    2.41344002    2.58535640
 C                  5.93078113    2.97076694    1.50755310
 C                  5.19595669    3.52901102    0.38320374
 C                  3.80183390    3.49254556    0.37672960
 C                  3.07907736    2.91167651    1.49502642
 C                  3.35947711    1.14455263    3.17455616
 C                  4.54245677    0.38552982    3.54920748
 C                  5.70722161    1.17225848    3.18250326
 C                  6.84493732    0.53992832    2.67713771
 C                  7.11397253    2.31522036    0.98552378
 C                  5.93476026    3.22853064   -0.83352312
 C                  5.24864929    2.91895093   -2.00962428
 C                  3.79718399    2.89679558   -2.01850499
 C                  3.08498673    3.17033536   -0.84442638
 C                  1.91762221    2.39034869   -0.49442558
 C                  1.91300492    2.22691482    0.97930316
 C                  1.49214162    1.04668397    1.55757433
 C                  2.24359972    0.48479465    2.64811321
 C                  4.55968786   -1.00072566    3.39790735
 C                  3.39402337   -1.69017182    2.86750504
 C                  2.26107914   -0.95951374    2.49256065
 C                  1.51967373   -1.29161929    1.30650920
 C                  0.79671945   -0.06130709    0.78295016
 C                  0.79742411    0.12215445   -0.80273365
 C                  1.49998456    1.36727680   -1.31884153
 C                  2.25331055    1.05373497   -2.50178928
 C                  3.37114180    1.81077508   -2.86835259
 C                  7.11685284    2.47483792   -0.46188215
 C                  5.75325804   -0.99515404   -3.17218023
 C                  6.87200480   -0.33565873   -2.65897870
 C                  7.59617883   -0.90171716   -1.53453026
 C                  7.17281517   -2.10464001   -0.96540920
 C                  6.00808419   -2.78714647   -1.49472570
 C                  3.85949126   -2.25765513   -2.58572819
 C                  3.40437851   -1.02316412   -3.18026431
 C                  4.57217549   -0.23608578   -3.54603002
 C                  4.55605350    1.14988955   -3.39368643
 C                  5.71977416    1.83770989   -2.86120799
 C                  6.85508985    1.10971356   -2.50005950
 C                  8.02871992    0.19233436   -0.68090203
 C                  8.02550860    0.03941791    0.70628481
 C                  7.59150022   -1.21401497    1.30009951
 C                  7.17059085   -2.26448599    0.48201809
 C                  6.00472902   -3.04641568    0.84664827
 C                  5.28071913   -3.36399980   -0.37427931
 C                  3.88618121   -3.36001990   -0.37527280
 C                  3.15827033   -2.79416620   -1.49840054
 C                  2.26850241   -0.39061859   -2.66186484
 C                  1.51969863   -0.97115573   -1.57834239
 C                  1.97731897   -2.13082349   -0.98763356
 C                  1.97177019   -2.30063198    0.48481448
 C                  3.15372786   -3.05485958    0.84112185
 C                  3.85187499   -2.76548053    2.01945764
 C                  5.30347757   -2.75272815    2.01836314
 C                  5.74310260   -1.66039819    2.87229187
 C                  6.86293725   -0.90565499    2.51818210
 C                  7.56836738    1.43517573   -1.27739098
 C                  7.56294383    1.12300108    1.55759830
 C                  5.31184171   -2.24741750   -2.57853176

60 61 F

--link1--
%nprocshared=36
%mem=41GB
%chk=tsc120cn2c_dissoc_an
#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

60 61 A








