 chk=c33z1.chk
%mem=1000MB
%nproc=12
#p b97d scrf=(smd,solvent=n,n-dimethylformamide) genecp opt freq

33 isomer E optimization base I

0 1
 C                 -0.10355029   -0.01479290    0.00000000
 C                  0.57172402    1.16018440    0.00000000
 C                 -0.19563315    2.49538587   -0.00000000
 H                 -0.81214664    2.55244103    0.87267166
 H                 -0.80920916    2.55412982   -0.87462771
 C                 -1.64355029   -0.01479290    0.00000000
 H                 -2.00021664    0.48981899   -0.87353074
 H                 -2.00021715    0.48940099    0.87377187
 C                  2.11172402    1.16018440   -0.00000000
 C                  2.80924546    2.11199919   -0.74430092
 C                  2.80922962    0.20873192    0.74415875
 C                  4.20395737    2.11186647   -0.74492160
 H                  2.25905241    2.86149258   -1.33148833
 C                  4.20436750    0.20907620    0.74442915
 H                  2.25963234   -0.54140809    1.33098224
 C                  4.90178881    1.16033673   -0.00004646
 H                  4.75382024    2.86167509   -1.33206245
 H                  4.75405250   -0.54096757    1.33158754
 C                  0.66380688   -1.34999437    0.00000000
 C                  0.23585787   -2.40045214    0.81232356
 C                  1.78657115   -1.50921935   -0.81215511
 C                  0.93097469   -3.60959811    0.81293279
 H                 -0.64889114   -2.27434473    1.45307148
 C                  2.48143092   -2.71900434   -0.81239944
 H                  2.12389470   -0.68145853   -1.45258768
 C                  2.05392242   -3.76909345    0.00005754
 H                  0.59409027   -4.43741287    1.45365747
 H                  3.36640452   -2.84439670   -1.45315892
 H                  2.60180204   -4.72257334    0.00066225
 C                  6.44178857    1.16051690   -0.00088230
 H                  6.79898079    1.30018883    0.99801983
 H                  6.79835876    0.22550124   -0.37970075
 H                  6.79802555    1.95598585   -0.62154675
 N                 -2.13354986   -1.40072231   -0.00033121
 H                 -2.68923927   -1.55800476    0.81604585
 C                 -2.95001914   -1.63149320   -1.20075726
 C                 -3.77688083   -0.61853414   -1.68726021
 C                 -2.89803767   -2.86306960   -1.85349429
 C                 -4.55206133   -0.83741903   -2.82585862
 H                 -3.81821834    0.35204367   -1.17198193
 C                 -3.67264710   -3.08184842   -2.99302311
 H                 -2.24626173   -3.66148918   -1.47029286
 C                 -4.49969176   -2.06933986   -3.47919240
 H                 -5.20430053   -0.03925427   -3.20902120
 H                 -3.63114687   -4.05285394   -3.50770771
 H                 -5.11094031   -2.24167066   -4.37695274
 O                  0.73577255    3.58045572    0.00261410
 H                  0.25945571    4.41148674    0.06672102

C N O H
6-31G(d)
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