Accuracy

transc4h6r    121 1,3-Butadiene (Geo)

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    #  Species Formula
   111 1,2-ButadieneC4H6
   112 1,3-ButadieneC4H6
   113 1-ButyneC4H6
   114 2-ButyneC4H6
   115 Bicyclobutane (Geo)C4H6
   116 BicyclobutaneC4H6
   117 2-Butyne (Geo)C4H6
   118 CyclobuteneC4H6
   119 Methyl cyclopropeneC4H6
   120 MethylenecyclopropaneC4H6
   121 1,3-Butadiene (Geo) C4H6
   122 2-Butenyl, cationC4H7
   123 Cyclobutyl, cationC4H7
   124 1-ButeneC4H8
   125 1-Butene (Geo)C4H8
   126 cis-2-ButeneC4H8
   127 Cyclobutane (Geo)C4H8
   128 CyclobutaneC4H8
   129 Isobutene (Geo)C4H8
   130 IsobuteneC4H8
   131 trans-2-Butene (Geo)C4H8


REF: W. Haugen, M. Traetteberg, Acta Chem. Scand., 20, 1226 (1966).
  
 PM7
1,3-Butadiene
 GEOREF GR=HT1966 <C1C2> <C2C3> <CCC>
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.34400000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.46700000 +1  122.9000000 +1    0.0000000 +0     2     1     0
  C     1.33623478 +1  122.7188388 +1 -179.9931962 +1     3     2     1
  H     1.07956801 +1  123.1881174 +1  179.9995690 +1     4     3     2
  H     1.07918734 +1  123.9413717 +1   -0.0001981 +1     4     3     2
  H     1.09215177 +1  115.9263329 +1    0.0055313 +1     2     3     4
  H     1.07936789 +1  123.1305842 +1 -179.9999756 +1     1     2     3
  H     1.07898056 +1  123.9216500 +1    0.0000947 +1     1     2     3
  H     1.09225898 +1  115.9163523 +1    0.0054424 +1     3     2     1