PM7 Accuracy

bicyclopropyl    185 Bicyclopropyl

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    #  Species Formula
   175 Fulvene (Geo)C6H6
   176 (E)-1,3,5-HexatrieneC6H8
   177 (Z)-1,3,5-HexatrieneC6H8
   178 1,3-CyclohexadieneC6H8
   179 1,4-CyclohexadieneC6H8
   180 1,2-DimethylcyclobuteneC6H10
   181 1,5-HexadieneC6H10
   182 1-Methyl cyclopenteneC6H10
   183 3-Methyl cyclopenteneC6H10
   184 4-Methyl cyclopenteneC6H10
   185 Bicyclopropyl C6H10
   186 Cyclohexene (Geo)C6H10
   187 CyclohexeneC6H10
   188 Cyclohexyl, cationC6H11
   189 1-HexeneC6H12
   190 2,3-Dimethyl-1-buteneC6H12
   191 2,3-Dimethyl-2-buteneC6H12
   192 (Z)-3-Methyl-2-penteneC6H12
   193 4-Methyl-1-penteneC6H12
   194 Cyclohexane (Geo)C6H12
   195 CyclohexaneC6H12


DHf: 30.9 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 SYMMETRY PM7
Bicyclopropyl
 H=30.9 HR=C&P1970
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.48901347  1    0.0000000  0    0.0000000  0     1     0     0
  H     1.09677819  1  113.4965755  1    0.0000000  0     2     1     0
  H     1.09677819  0  113.4965755  0  180.0000000  0     1     2     3
 XX     1.31626744  1  124.0374306  1    0.0000000  0     1     2     3
 XX     1.31626744  0  124.0374306  0    0.0000000  0     2     1     4
  C     0.75417425  1   90.0000000  0   90.0000000  0     6     2     1
  C     0.75417425  0   90.0000000  0  -90.0000000  0     6     2     1
  C     0.75417425  0   90.0000000  0  -90.0000000  0     5     1     2
  C     0.75417425  0   90.0000000  0   90.0000000  0     5     1     2
 XX     0.62235563  1  150.2612743  1  180.0000000  0     7     6     2
 XX     0.62235563  0  150.2612743  0  180.0000000  0     8     6     2
 XX     0.62235563  0  150.2612743  0  180.0000000  0     9     5     1
 XX     0.62235563  0  150.2612743  0  180.0000000  0    10     5     1
  H     0.88945724  1   90.0000000  0   90.0000000  0    11     7     6
  H     0.88945724  0   90.0000000  0  -90.0000000  0    11     7     6
  H     0.88945724  0   90.0000000  0   90.0000000  0    12     8     6
  H     0.88945724  0   90.0000000  0  -90.0000000  0    12     8     6
  H     0.88945724  0   90.0000000  0   90.0000000  0    13     9     5
  H     0.88945724  0   90.0000000  0  -90.0000000  0    13     9     5
  H     0.88945724  0   90.0000000  0   90.0000000  0    14    10     5
  H     0.88945724  0   90.0000000  0  -90.0000000  0    14    10     5
 
   3  1    4
   3  2    4
   5  1    6
   5  2    6
   7  1    8    9   10
  11  1   12   13   14
  11  2   12   13   14
  15  1   16   17   18   19   20   21   22