PM7 Accuracy

1,3 dioxan   1084 1,3 Dioxan

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    #  Species Formula
  1074 1,3-PropanediolC3H8O2
  1075 2-MethoxyethanolC3H8O2
  1076 DimethoxymethaneC3H8O2
  1077 Propylene glycolC3H8O2
  1078 2-Butenoic acidC4H6O2
  1079 2-Methyl-2-propenic acidC4H6O2
  1080 DiacetylC4H6O2
  1081 gamma ButyrolactoneC4H6O2
  1082 Methyl 2-propenoateC4H6O2
  1083 1,1 Dimethoxy etheneC4H8O2
  1084 1,3 Dioxan C4H8O2
  1085 1,4-DioxaneC4H8O2
  1086 Ethyl acetateC4H8O2
  1087 1,2-DimethoxyethaneC4H10O2
  1088 1,4 ButandiolC4H10O2
  1089 Diethyl peroxideC4H10O2
  1090 Dimethyl acetalC4H10O2
  1091 AcetylacetoneC5H8O2
  1092 Ethyl propionateC5H10O2
  1093 Isopropyl acetateC5H10O2
  1094 1,5 PentandiolC5H12O2


DHf: -80.9 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.
  
 PM7
1,3 Dioxan
 H=-80.88 HR=NIST
  O     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.41589384  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.53084570  1  110.4018402  1    0.0000000  0     2     1     0
  C     1.52990689  1  108.4650336  1  -52.4035165  1     3     2     1
  O     1.41649117  1  110.3691043  1   52.2920523  1     4     3     2
  C     1.40650235  1  113.1987147  1   55.6837019  1     1     2     3
  H     1.10412580  1  109.3122054  1 -123.9350468  1     2     1     3
  H     1.10572037  1  102.5752399  1 -116.1156646  1     2     1     7
  H     1.10164645  1  111.3520779  1 -123.1194809  1     3     2     4
  H     1.10882336  1  109.4122644  1 -117.4226351  1     3     2     9
  H     1.10432404  1  112.3136604  1 -122.0443264  1     4     3     5
  H     1.10566233  1  112.5016061  1 -124.2248022  1     4     3    11
  H     1.10535223  1  104.3903821  1 -169.9208739  1     6     1     2
  H     1.10295100  1  110.5045786  1 -123.6219479  1     6     1    13