PM7 Accuracy

   794 cis-2,3-Epoxybicyclo[2.2.1]heptane

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    #  Species Formula
   784 CyclohexanoneC6H10O
   785 Methyl neopentyl ketoneC6H12O
   786 Di-isopropyl etherC6H14O
   787 BenzaldehydeC7H6O
   788 AnisoleC7H8O
   789 m-CresolC7H8O
   790 o-CresolC7H8O
   791 p-CresolC7H8O
   792 2-Methyl-5-hexen-3-yn-2-olC7H10O
   793 2-NorbornanoneC7H10O
   794 cis-2,3-Epoxybicyclo[2.2.1]heptane C7H10O
   795 Norbornan-7-oneC7H10O
   796 1-Methoxy cyclohexeneC7H12O
   797 Bicyclo[2.2.1]heptan-7-olC7H12O
   798 cis-1,2-EpoxycycloheptaneC7H12O
   799 CycloheptanoneC7H12O
   800 2,4-Dimethyl 3-pentanoneC7H14O
   801 2-Methyl cis-cyclohexanolC7H14O
   802 3,3-Dimethyl-2-pentanoneC7H14O
   803 4-HeptanoneC7H14O
   804 HeptanalC7H14O



DHf: -12.9 kcal/mol,     REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.

  

cis-2,3-Epoxybicyclo[2.2.1]heptane
 H=-12.9 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0                     0.0000
  C     1.54650649  1    0.0000000  0    0.0000000  0     1     0     0   0.0000
  C     1.52504086  1  104.4209146  1    0.0000000  0     2     1     0   0.0000
  C     1.54654104  1  104.4194344  1   -0.0928149  1     3     2     1   0.0000
  C     1.55947114  1  105.0015371  1   71.3045164  1     4     3     2   0.0000
  C     1.55938420  1  105.0358220  1  -71.1692558  1     1     2     3   0.0000
  C     1.56102357  1  102.0286515  1 -105.0370975  1     4     3     5   0.0000
  H     1.09218044  1  115.2339152  1 -128.0814441  1     1     2     6   0.0000
  O     1.46596286  1   58.6356233  1 -109.5584258  1     3     2     4   0.0000
  H     1.07618420  1  121.3614003  1  153.3307256  1     2     1     3   0.0000
  H     1.09210506  1  115.2309646  1 -126.8999096  1     4     3     7   0.0000
  H     1.09922068  1  110.7968144  1  169.7032400  1     5     4     3   0.0000
  H     1.09823664  1  112.1588067  1 -119.3402432  1     5     4    12   0.0000
  H     1.09920021  1  110.8042313  1 -169.6415513  1     6     1     2   0.0000
  H     1.09821471  1  112.1643773  1  119.3550082  1     6     1    14   0.0000
  H     1.09984722  1  113.0992232  1  -65.0133531  1     7     4     3   0.0000
  H     1.07595258  1  127.5919237  1  -99.1911358  1     3     2     9   0.0000
  H     1.09379950  1  113.6863097  1 -123.7302346  1     7     4    16   0.0000