PM7 Accuracy

1-methoxy cyclohexene    796 1-Methoxy cyclohexene

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    #  Species Formula
   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]heptaneC7H10O
   795 Norbornan-7-oneC7H10O
   796 1-Methoxy cyclohexene C7H12O
   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
   805 t-Butyl ethyl ketoneC7H14O
   806 n-HeptanolC7H16O


DHf: -38.5 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
1-Methoxy cyclohexene
 H=-38.47 HR=NIST
  O     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.41869387  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.36440314  1  117.2794217  1    0.0000000  0     1     2     0
  C     1.49815132  1  107.3457914  1  178.5185738  1     3     1     2
  C     1.53417584  1  110.3034733  1  164.0334573  1     4     3     1
  C     1.53399917  1  110.1237867  1   45.9618342  1     5     4     3
  C     1.53778278  1  110.4057381  1  -62.7090336  1     6     5     4
  C     1.33912618  1  126.5173844  1 -179.2916644  1     3     1     4
  H     1.09433449  1  110.9227565  1  -61.5144392  1     2     1     3
  H     1.09432012  1  110.8913215  1  123.9597774  1     2     1     9
  H     1.09766863  1  102.5294628  1  117.9983838  1     2     1    10
  H     1.10943002  1  110.5002968  1 -122.7208415  1     4     3     5
  H     1.11052638  1  109.1911394  1 -115.6171742  1     4     3    12
  H     1.10684414  1  109.9104464  1 -121.1088209  1     5     4     6
  H     1.10460793  1  110.1454739  1 -116.7431114  1     5     4    14
  H     1.10401610  1  110.4147673  1 -122.1079339  1     6     5     7
  H     1.10623694  1  109.8096224  1 -116.7709666  1     6     5    16
  H     1.11059968  1  109.7801285  1  -75.1070441  1     7     6     5
  H     1.10883856  1  109.5111842  1 -115.5308375  1     7     6    18
  H     1.08062437  1  123.3494799  1   -0.3408184  1     8     3     1