%nprocshared=24
%mem=41GB
%chk=tsc60cnrad_2
#p opt=(loose,modredundant) b3lyp 6-31g(d) scrf=(pcm,solvent=n,n-dimethylformamide) nosymm empiricaldispersion=gd3 scf=(xqc,maxcyc=1024)

preopt

0 2
 C                 -4.06914365    3.09149970    1.76905425
 C                 -3.11854297    3.17890163    0.67019969
 C                 -3.57689014    3.39116877   -0.63518966
 C                 -5.00032886    3.50639692   -0.89337922
 C                 -5.91117660    3.41476032    0.15936473
 C                 -5.43554951    3.20533094    1.51781608
 C                 -3.58473462    2.09636255    2.71125406
 C                 -2.34107126    1.56374285    2.19126244
 C                 -2.04877091    2.24054938    0.92270878
 C                 -1.47614902    1.53374942   -0.12959516
 C                 -2.98157627    2.65641829   -1.73107262
 C                 -5.28371742    2.84525415   -2.15918735
 C                 -6.46728918    2.12118994   -2.31939781
 C                 -7.41396143    2.02593766   -1.22187147
 C                 -7.13943978    2.65900912   -0.00648512
 C                 -7.42682894    1.98501061    1.24671537
 C                 -6.37484206    2.32300161    2.19220199
 C                 -5.91188169    1.36649030    3.09448517
 C                 -4.48836601    1.25077492    3.36272982
 C                 -2.05093434    0.21641276    2.33598542
 C                 -2.97429622   -0.66043652    3.01802848
 C                 -4.17636247   -0.15733580    3.51962218
 C                 -5.40057803   -0.91458333    3.34767287
 C                 -6.47569113    0.02430432    3.08457173
 C                 -7.48192196   -0.30034929    2.17418249
 C                 -7.96840479    0.69905949    1.23851413
 C                 -8.24854364    0.03721083   -0.02429010
 C                 -7.97837535    0.68910540   -1.23075466
 C                 -4.03539893    2.31964139   -2.67710517
 C                 -5.82873460   -1.92137868   -2.70569027
 C                 -4.93050851   -1.07186440   -3.35045991
 C                 -3.50516030   -1.18498931   -3.08955340
 C                 -3.03257405   -2.13513845   -2.17551552
 C                 -3.96861708   -3.02079185   -1.50172556
 C                 -6.28354270   -3.01602441   -0.68136297
 C                 -7.36188438   -2.07641877   -0.93360384
 C                 -7.08010528   -1.39857785   -2.18943998
 C                 -7.38334464   -0.04334503   -2.33438788
 C                 -6.44884352    0.84244655   -3.00785974
 C                 -5.24646713    0.33741087   -3.50726900
 C                 -2.94424708    0.14390213   -3.08297696
 C                 -1.94285659    0.45928034   -2.16118129
 C                 -1.44780012   -0.54035796   -1.24836674
 C                 -1.95767450   -1.81793216   -1.27965521
 C                 -3.49892325   -3.27303000   -0.17166384
 C                 -4.39577553   -3.32700277    0.87593329
 C                 -5.81369280   -3.20574478    0.62227348
 C                 -7.93133410   -1.37050658    0.12626397
 C                 -7.45257058   -1.57935484    1.48434825
 C                 -6.41386115   -2.47679838    1.72604214
 C                 -5.36493382   -2.14404662    2.67614163
 C                 -4.11613385   -2.66548242    2.16616186
 C                 -2.94536936   -1.93369707    2.31931720
 C                 -1.97708741   -1.82812610    1.24171085
 C                 -1.46903411   -0.53628751    1.22286156
 C                 -1.02707888    0.13065529    0.01619212
 C                 -4.01613569    1.09153727   -3.33995802
 C                 -1.95932544    1.73867520   -1.47404577
 C                 -5.34070758   -2.92092913   -1.76888823
 C                 -2.06277100   -2.70095740   -0.00758793
 C                 -1.04101444   -3.76632039    0.01215168
 N                 -0.23143319   -4.59831964    0.03747532
 C                  4.43969581   -2.27463526    2.65241299
 C                  5.86430954   -1.99905514    2.64817865
 C                  6.33672354   -0.74834356    3.05196014
 C                  5.40006264    0.27992846    3.47395961
 C                  4.03048948    0.01722254    3.47578273
 C                  3.53720844   -1.28614119    3.05839193
 C                  4.13892586   -3.10094641    1.49414536
 C                  5.37963741   -3.33691954    0.77491223
 C                  6.44681052   -2.65518187    1.48836259
 C                  7.47333863   -2.03321228    0.77807154
 C                  7.40673792   -0.10246686    2.31230577
 C                  5.89396100    1.56212727    2.99783396
 C                  4.99842550    2.53222741    2.54583274
 C                  3.57098051    2.25966017    2.54929480
 C                  3.09783693    1.02606971    3.00226723
 C                  2.02984484    0.35046522    2.29015693
 C                  2.30241733   -1.08467893    2.32769145
 C                  2.01880437   -1.87103671    1.20639972
 C                  2.95265615   -2.90773050    0.78844772
 C                  5.38237823   -3.36928133   -0.62045683
 C                  4.14414927   -3.16588888   -1.35397638
 C                  2.95562202   -2.94063958   -0.66153299
 C                  2.02391785   -1.92403120   -1.12890897
 C                  1.45251337   -1.27643942    0.02379906
 C                  1.06044028    0.10444189   -0.00583502
 C                  1.48212566    0.92833811    1.15364184
 C                  1.97580292    2.19592078    0.67444733
 C                  2.99734053    2.85952193    1.36127240
 C                  7.13279514    1.32527429    2.27890315
 C                  5.30951356    3.23810152   -1.49651020
 C                  6.49782239    3.04162017   -0.79199190
 C                  7.43233842    2.01329989   -1.21596519
 C                  7.14077370    1.22167862   -2.32801541
 C                  5.90371267    1.42530677   -3.06093209
 C                  3.57896544    2.14147409   -2.65039249
 C                  3.00092595    2.79425264   -1.49243234
 C                  4.06900856    3.47262846   -0.77671919
 C                  4.06683219    3.50530682    0.61877086
 C                  5.30521414    3.30328286    1.35230448
 C                  6.49542061    3.07476111    0.66103612
 C                  8.00813240    1.41093777   -0.02588931
 C                  8.26988583    0.03985501    0.00568278
 C                  7.96758991   -0.78418342   -1.15198182
 C                  7.41440500   -0.20636188   -2.29513093
 C                  6.34667154   -0.88498194   -3.00819318
 C                  5.41134764    0.12262036   -3.47998270
 C                  4.04180050   -0.14007413   -3.47363741
 C                  3.10717335    0.88890665   -3.04904621
 C                  1.97745145    2.16230819   -0.77954211
 C                  1.48270225    0.87389392   -1.20235829
 C                  2.03746399    0.24531547   -2.30947098
 C                  2.31108622   -1.18909258   -2.28265095
 C                  3.54778901   -1.42313112   -2.99920397
 C                  4.44871821   -2.39284506   -2.54740245
 C                  5.87319769   -2.11623926   -2.55027480
 C                  6.45142246   -2.71949225   -1.36018082
 C                  7.47559378   -2.06603499   -0.67512861
 C                  7.42896448    2.06687099    1.13392360
 C                  7.96448889   -0.73124259    1.19847849
 C                  5.00651811    2.41401193   -2.65489315

56 87 F

--link1--
%nprocshared=24
%mem=41GB
%chk=tsc60cnrad_2
#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 2

56 87 A






