Accuracy

isobutene     69 Isobutene

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    #  Species Formula
    59 MethylenecyclopropaneC4H6
    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 Isobutene C4H8
    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


ΔHf: -4.3 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 SYMMETRY
Isobutene
 HR=C&P1970 H=-4.3
 
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.33499540 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.49411609 +1  122.4736692 +1    0.0000000 +0     2     1     0
  C     1.49411609 +0  122.4736692 +0  180.0000000 +0     2     1     3
  H     1.09800849 +1  112.5546916 +1    0.0000000 +0     3     2     1
 XX     1.00000000 +0  127.6695782 +1  180.0000000 +0     3     2     1
  H     1.09900790 +1   53.6469247 +1   90.0000000 +0     3     6     2
  H     1.09900790 +0   53.6469247 +0  -90.0000000 +0     3     6     2
  H     1.09800849 +0  112.5546916 +0    0.0000000 +0     4     2     1
 XX     1.00000000 +0  127.6695782 +0  180.0000000 +0     4     2     1
  H     1.09900790 +0   53.6469247 +0   90.0000000 +0     4    10     2
  H     1.09900790 +0   53.6469247 +0  -90.0000000 +0     4    10     2
  H     1.07637060 +1  123.7734289 +1    0.0000000 +0     1     2     3
  H     1.07637060 +0  123.7734289 +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