 chk=c33e1.chk
%mem=1000MB
%nproc=20
#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                  2.11169684    1.16933415   -0.00000000
 H                  2.47136381    0.66536606   -0.87267166
 H                  2.47134419    0.66875434    0.87462771
 C                 -1.64355029   -0.01479290    0.00000000
 H                 -2.00021664    0.48981899   -0.87353074
 H                 -2.00021715    0.48940099    0.87377187
 C                 -0.20355257    2.49080313   -0.00000000
 C                  0.48929485    3.70176715    0.00000000
 C                 -1.59837111    2.48538344   -0.00011119
 C                 -0.21259986    4.90699128    0.00057069
 H                  1.58894278    3.70570066    0.00086490
 C                 -2.30062988    3.69088846   -0.00053627
 H                 -2.14460202    1.53104557   -0.00029110
 C                 -1.60801632    4.90160033   -0.00005724
 H                  0.33344070    5.86152563    0.00120474
 H                 -3.40038121    3.68630671   -0.00103928
 C                  0.66380688   -1.34999437    0.00000000
 C                  2.05896428   -1.35268983    0.00011124
 C                 -0.03590764   -2.55662096    0.00000000
 C                  2.75416764   -2.56178607   -0.00045943
 H                  2.61031158   -0.40123971   -0.00066602
 C                  0.65935777   -3.76617282    0.00042509
 H                 -1.13550995   -2.55467960    0.00009223
 C                  2.05418004   -3.76894539    0.00005726
 H                  3.85384547   -2.56399033   -0.00100580
 H                  0.10739694   -4.71738957    0.00084042
 H                  2.60253950   -4.72214951   -0.00033361
 C                 -2.38272528    6.23254951    0.00049021
 H                 -2.99914315    6.28679621   -0.87242806
 H                 -2.99701712    6.28731501    0.87487358
 H                 -1.69028713    7.04828734   -0.00059453
 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                  2.58034439    2.52035696   -0.00261410
 H                  3.53817733    2.52716397   -0.06672102

C N O H
6-31G(d)
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