PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

chexenr    186 Cyclohexene (Geo)

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    #  Species Formula
   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 BicyclopropylC6H10
   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
   196 2,2-Dimethyl butaneC6H14


REF: J. F. Chiang, S. H. Bauer, J. Am. Chem. Soc., 91, 1898 (1969).
  
 PM7
Cyclohexene
 GR=CB1969 <C1-C2> <C2-C3> < > <C3-C4> < > < > <C4-C5> < > <C5-C4-C2-C1>
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.33500000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.50400000 +1  123.1616317 +1    0.0000000 +0     2     1     0
  C     1.51500000 +1  113.1805174 +1  -19.9410847 +1     3     2     1
  C     1.55000000 +1   86.4787332 +1   21.8000000 +1     4     2     1
  C     1.49346677 +1  123.6083195 +1    8.5315656 +1     1     2     3
  H     1.08826235 +1  121.5784404 +1 -175.6945246 +1     1     2     3
  H     1.08664960 +1  122.0377655 +1  175.7539973 +1     2     1     3
  H     1.10968407 +1  109.9180528 +1 -143.2877917 +1     3     2     1
  H     1.11317588 +1  107.8562088 +1  102.2551563 +1     3     2     1
  H     1.10824501 +1  109.8551799 +1  -78.7737312 +1     4     3     2
  H     1.10510772 +1  110.6496898 +1  164.4856453 +1     4     3     2
  H     1.10385683 +1  109.5707645 +1 -177.0306137 +1     5     4     3
  H     1.10665989 +1  108.8430075 +1   67.0665443 +1     5     4     3
  H     1.11220349 +1  108.4100193 +1  102.3394519 +1     6     1     2
  H     1.10912879 +1  110.4027771 +1 -142.4714916 +1     6     1     2