PM7 Accuracy

cis-1,2-epoxycycloheptane    798 cis-1,2-Epoxycycloheptane

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    #  Species Formula
   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]heptaneC7H10O
   795 Norbornan-7-oneC7H10O
   796 1-Methoxy cyclohexeneC7H12O
   797 Bicyclo[2.2.1]heptan-7-olC7H12O
   798 cis-1,2-Epoxycycloheptane C7H12O
   799 CycloheptanoneC7H12O
   800 2,4-Dimethyl 3-pentanoneC7H14O
   801 2-Methyl cis-cyclohexanolC7H14O
   802 3,3-Dimethyl-2-pentanoneC7H14O
   803 4-HeptanoneC7H14O
   804 HeptanalC7H14O
   805 t-Butyl ethyl ketoneC7H14O
   806 n-HeptanolC7H16O
   807 t-Butyl isopropyl etherC7H16O
   808 BenzofuranC8H6O


DHf: -36.4 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.
  
 PM7
cis-1,2-Epoxycycloheptane
 H=-36.4 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.50736534  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.53503134  1  110.8829749  1    0.0000000  0     2     1     0
  C     1.53482778  1  112.6502150  1   83.1601178  1     3     2     1
  C     1.53512823  1  113.4387725  1  -71.1472786  1     4     3     2
  C     1.53505858  1  112.5936068  1   71.3247427  1     5     4     3
  C     1.49456253  1  121.2192214  1  -64.5564922  1     1     2     3
  O     1.43139396  1  115.9929605  1  -67.4697010  1     1     2     7
  H     1.09448438  1  114.9678430  1 -136.2979333  1     1     2     8
  H     1.10740348  1  110.0956980  1 -122.2079987  1     2     1     3
  H     1.11004687  1  110.0354360  1 -115.3562849  1     2     1    10
  H     1.10641654  1  109.9970016  1 -123.1734107  1     3     2     4
  H     1.10763804  1  109.2226175  1 -115.4667286  1     3     2    12
  H     1.10820405  1  108.9513603  1 -121.5684592  1     4     3     5
  H     1.10679995  1  109.8117422  1 -115.0757837  1     4     3    14
  H     1.10631366  1  109.9663478  1 -123.1954204  1     5     4     6
  H     1.10758809  1  109.0269263  1 -115.3912504  1     5     4    16
  H     1.10779203  1  110.1092139  1  154.5534445  1     6     5     4
  H     1.10948980  1  110.4744755  1 -115.9036142  1     6     5    18
  H     1.09416462  1  119.3105121  1  155.4021079  1     7     1     2