Accuracy

tbut2ener     70 trans-2-Butene (Geo)

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    #  Species Formula
    60 1,3-Butadiene (Geo)C4H6
    61 2-Butenyl, cationC4H7
    62 Cyclobutyl, cationC4H7
    63 1-ButeneC4H8
    64 1-Butene (Geo)C4H8
    65 cis-2-ButeneC4H8
    66 Cyclobutane (Geo)C4H8
    67 CyclobutaneC4H8
    68 Isobutene (Geo)C4H8
    69 IsobuteneC4H8
    70 trans-2-Butene (Geo) C4H8
    71 trans-2-ButeneC4H8
    72 Isobutyl, cationC4H9
    73 IsobutylC4H9
    74 n-Butane (Geo)C4H10
    75 Isobutane (Geo)C4H10
    76 IsobutaneC4H10
    77 n-Butane, transC4H10
    78 Cyclopentadienyl, anionC5H5
    79 Cyclopentadiene (Geo)C5H6
    80 CyclopentadieneC5H6


REF: A. Almenningen, I. M. Anfinsen, A. Haaland, Acta Chem. Scand., 24, 43 (1970).
  
 SYMMETRY
trans-2-Butene
 <C=C> <C-C> <C-C=C> GR=AAH1970
 
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.34700000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.50800000 +1  123.8000000 +1    0.0000000 +0     2     1     0
  H     1.09634758 +1  112.4922735 +1    0.0000000 +0     3     2     1
 XX     1.00000000 +0  126.7800326 +1  180.0000000 +0     3     2     1
  H     1.09800055 +1   53.8132829 +1   90.0000000 +0     3     5     2
  H     1.09800055 +0   53.8132829 +0  -90.0000000 +0     3     5     2
  H     1.08611484 +1  121.8678297 +1  180.0000000 +0     2     1     3
  H     1.08610167 +1  121.8804336 +1    0.0000000 +0     1     2     3
  C     1.50800000 +0  123.8000000 +0  180.0000000 +0     1     2     3
  H     1.09634758 +0  112.4922735 +0    0.0000000 +0    10     1     2
 XX     1.00000000 +0  126.7800326 +0  180.0000000 +0    10     1     2
  H     1.09800055 +0   53.8132829 +0   90.0000000 +0    10    12     1
  H     1.09800055 +0   53.8132829 +0  -90.0000000 +0    10    12     1
 
   3  1   10
   3  2   10
   4  1   11
   4  2   11
   5  2   12
   6  1    7   13   14
   6  2    7   13   14