Accuracy

cis-2,4-dimethyl-1,3-dioxane   1105 cis-2,4-Dimethyl-1,3-dioxane

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    #  Species Formula
  1095 ResorcinolC6H6O2
  1096 1,3-CyclohexanedioneC6H8O2
  1097 1,4-CyclohexanedioneC6H8O2
  1098 2,4-HexanedioneC6H10O2
  1099 2-OxepanoneC6H10O2
  1100 3-Methyl-2,4-pentandioneC6H10O2
  1101 Ethyl-(E)-2-butenoateC6H10O2
  1102 1,1-Dimethoxy-2-buteneC6H12O2
  1103 4-Hydroxy-4-methylpentan-2-oneC6H12O2
  1104 5,5-Dimethyl-1,3-dioxaneC6H12O2
  1105 cis-2,4-Dimethyl-1,3-dioxane C6H12O2
  1106 Ethyl butanoateC6H12O2
  1107 Hexanoic acidC6H12O2
  1108 Methyl 2-methylbutanoateC6H12O2
  1109 Methyl 2,2-dimethyl-propanoateC6H12O2
  1110 Methyl 3-methylbutanoateC6H12O2
  1111 Methyl pentanoateC6H12O2
  1112 t-Butyl acetateC6H12O2
  1113 trans 4,5-Dimethyl-1,3-dioxaneC6H12O2
  1114 1,1-Diethoxy ethaneC6H14O2
  1115 1,1-Dimethoxy-butaneC6H14O2


ΔHf: -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