PM7 Accuracy

cis-2,4-dimethyl-1,3-dioxane   1109 cis-2,4-Dimethyl-1,3-dioxane

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    #  Species Formula
  1099 ResorcinolC6H6O2
  1100 1,3-CyclohexanedioneC6H8O2
  1101 1,4-CyclohexanedioneC6H8O2
  1102 2,4-HexanedioneC6H10O2
  1103 2-OxepanoneC6H10O2
  1104 3-Methyl-2,4-pentandioneC6H10O2
  1105 Ethyl-(E)-2-butenoateC6H10O2
  1106 1,1-Dimethoxy-2-buteneC6H12O2
  1107 4-Hydroxy-4-methylpentan-2-oneC6H12O2
  1108 5,5-Dimethyl-1,3-dioxaneC6H12O2
  1109 cis-2,4-Dimethyl-1,3-dioxane C6H12O2
  1110 Ethyl butanoateC6H12O2
  1111 Hexanoic acidC6H12O2
  1112 Methyl 2-methylbutanoateC6H12O2
  1113 Methyl 2,2-dimethyl-propanoateC6H12O2
  1114 Methyl 3-methylbutanoateC6H12O2
  1115 Methyl pentanoateC6H12O2
  1116 t-Butyl acetateC6H12O2
  1117 trans 4,5-Dimethyl-1,3-dioxaneC6H12O2
  1118 1,1-Diethoxy ethaneC6H14O2
  1119 1,1-Dimethoxy-butaneC6H14O2


DHf: -102.3 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-2,4-Dimethyl-1,3-dioxane
 H=-102.3 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.52950992  1    0.0000000  0    0.0000000  0     1     0     0
  O     1.41413123  1  110.2751110  1    0.0000000  0     2     1     0
  C     1.41477723  1  113.5459621  1  -56.1708607  1     3     2     1
  O     1.41195752  1  111.4940170  1   56.8013967  1     4     3     2
  C     1.42224261  1  113.7828286  1  -57.4188494  1     5     4     3
  C     1.52630627  1  104.1526431  1  176.9630930  1     6     5     4
  C     1.52186720  1  105.4690587  1  114.0701573  1     4     3     5
  H     1.10797323  1  109.5445241  1  -65.7594324  1     1     2     3
  H     1.10116631  1  111.5222057  1 -117.7304493  1     1     2     9
  H     1.10418888  1  112.3330353  1 -122.1842590  1     2     1     3
  H     1.10565117  1  112.4611846  1 -124.0360708  1     2     1    11
  H     1.10961869  1  109.4309541  1  124.5703193  1     4     3     8
  H     1.11340142  1  108.1022333  1  118.5419894  1     6     5     7
  H     1.09323415  1  111.6074128  1 -178.0666905  1     7     6     5
  H     1.09832715  1  110.9166222  1  121.0342280  1     7     6    15
  H     1.09774510  1  110.7441849  1  118.0818891  1     7     6    16
  H     1.09578607  1  110.9719442  1 -179.5358365  1     8     4     3
  H     1.10028537  1  110.3848522  1  119.1799845  1     8     4    18
  H     1.09597023  1  111.0125204  1  119.2216649  1     8     4    19