Accuracy

ibutener    129 Isobutene (Geo)

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    #  Species Formula
   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
   132 trans-2-ButeneC4H8
   133 Isobutyl, cationC4H9
   134 IsobutylC4H9
   135 n-Butane (Geo)C4H10
   136 Isobutane (Geo)C4H10
   137 IsobutaneC4H10
   138 n-Butane, transC4H10
   139 t-butyl lithium (Geo)H9LiC4


REF: L. R. H. Scharpen, V. W. Laurie, J. Chem. Phys., 39, 1972 (1963).
  
 GNORM=10 SYMMETRY PM7
Isobutene
 GR=SL1963 <C1-C2> <C2-C3> <C1-C2-C3>
 
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.33000000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.50700000 +1  122.4000000 +1    0.0000000 +0     2     1     0
  C     1.50700000 +0  122.4000000 +0  180.0000000 +0     2     1     3
  H     1.09786027 +1  112.5530911 +1    0.0000000 +0     3     2     1
 XX     1.00000000 +0  127.4525054 +1  180.0000000 +0     3     2     1
  H     1.10006160 +1   53.6299027 +1   90.0000000 +0     3     6     2
  H     1.10006160 +0   53.6299027 +0  -90.0000000 +0     3     6     2
  H     1.09786027 +0  112.5530911 +0    0.0000000 +0     4     2     1
 XX     1.00000000 +0  127.4525054 +0  180.0000000 +0     4     2     1
  H     1.10006160 +0   53.6299027 +0   90.0000000 +0     4    10     2
  H     1.10006160 +0   53.6299027 +0  -90.0000000 +0     4    10     2
  H     1.07617935 +1  123.7926120 +1    0.0000000 +0     1     2     3
  H     1.07617935 +0  123.7926120 +0  180.0000000 +0     1     2     3
 
   3  1    4
   3  2    4
   5  1    9
   5  2    9
   6  2   10
   7  1    8   11   12
   7  2    8   11   12
  13  1   14
  13  2   14