Accuracy

spiropentane     90 Spiropentane

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    #  Species Formula
    80 CyclopentadieneC5H6
    81 1,2-Dimethyl cyclopropeneC5H8
    82 1,4-PentadieneC5H8
    83 Bicyclo(2.1.0)-pentaneC5H8
    84 1,cis-3-PentadieneC5H8
    85 CyclopenteneC5H8
    86 1,trans-3-PentadieneC5H8
    87 IsopreneC5H8
    88 Methylene cyclobutaneC5H8
    89 Spiropentane (Geo)C5H8
    90 Spiropentane C5H8
    91 Cyclopentyl, cationC5H9
    92 2-Methyl-2-buteneC5H10
    93 cis-2-PenteneC5H10
    94 cis-DimethylcyclopropaneC5H10
    95 CyclopentaneC5H10
    96 trans-2-PenteneC5H10
    97 IsopentaneC5H12
    98 n-PentaneC5H12
    99 Neopentane (Geo)C5H12
   100 NeopentaneC5H12


ΔHf: 44.3 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 SYMMETRY
Spiropentane
 H=44.3 HR=C&P1970
 
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 XX     1.27660623 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     0.76018219 +1   90.0000000 +0    0.0000000 +0     2     1     0
 XX     1.00000000 +0   90.0000000 +0  180.0000000 +0     1     2     3
  C     0.76018219 +0   90.0000000 +0    0.0000000 +0     2     1     4
 XX     1.27660623 +0   90.0000000 +0  180.0000000 +0     1     4     2
  C     0.76018219 +0   90.0000000 +0   90.0000000 +0     6     1     4
  C     0.76018219 +0   90.0000000 +0  -90.0000000 +0     6     1     4
 XX     0.62054457 +1  150.0384904 +1  180.0000000 +0     3     2     1
 XX     0.62054457 +0  150.0384904 +0  180.0000000 +0     5     2     1
 XX     0.62054457 +0  150.0384904 +0  180.0000000 +0     7     6     1
 XX     0.62054457 +0  150.0384904 +0  180.0000000 +0     8     6     1
  H     0.89227855 +1   90.0000000 +0   90.0000000 +0     9     3     2
  H     0.89227855 +0   90.0000000 +0  -90.0000000 +0     9     3     2
  H     0.89227855 +0   90.0000000 +0  -90.0000000 +0    10     5     2
  H     0.89227855 +0   90.0000000 +0   90.0000000 +0    10     5     2
  H     0.89227855 +0   90.0000000 +0   90.0000000 +0    11     7     6
  H     0.89227855 +0   90.0000000 +0  -90.0000000 +0    11     7     6
  H     0.89227855 +0   90.0000000 +0  -90.0000000 +0    12     8     6
  H     0.89227855 +0   90.0000000 +0   90.0000000 +0    12     8     6
 
   2  1    6
   3  1    5    7    8
   9  1   10   11   12
   9  2   10   11   12
  13  1   14   15   16   17   18   19   19   20