PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

1,3-dioxalane   1068 1,3-Dioxalane

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    #  Species Formula
  1058 Methyl formateC2H4O2
  1059 Dimethyl peroxideC2H6O2
  1060 Ethylene glycolC2H6O2
  1061 H2O - CH3OCH3 (Geo)C2H8O2
  1062 DimethoxyboraneH7BC2O2
  1063 Carbon suboxide (Geo)C3O2
  1064 Carbon suboxideC3O2
  1065 2-Oxo-propanalC3H4O2
  1066 2-Propenoic acidC3H4O2
  1067 beta-PropiolactoneC3H4O2
  1068 1,3-Dioxalane C3H6O2
  1069 Ethyl formateC3H6O2
  1070 Methyl acetateC3H6O2
  1071 Propionic acidC3H6O2
  1072 1,3-PropanediolC3H8O2
  1073 2-MethoxyethanolC3H8O2
  1074 DimethoxymethaneC3H8O2
  1075 Propylene glycolC3H8O2
  1076 2-Butenoic acidC4H6O2
  1077 2-Methyl-2-propenic acidC4H6O2
  1078 DiacetylC4H6O2


ΔHf: -72.1 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-Dioxalane
 H=-72.1 HR=NIST
  O    -0.00937223 +1  -0.00548655 +1  -0.01383699 +1
  C     1.37323442 +1   0.09625351 +1   0.27595991 +1
  O     1.66268846 +1   1.43100367 +1   0.65042752 +1
  C     0.60753557 +1   2.26304938 +1   0.17852851 +1
  C    -0.50375017 +1   1.30437227 +1  -0.27570702 +1
  H     1.94932023 +1  -0.15493073 +1  -0.62890685 +1
  H     1.57491258 +1  -0.54146402 +1   1.15022074 +1
  H     0.33201737 +1   2.89694814 +1   1.03631304 +1
  H     1.01914372 +1   2.88027102 +1  -0.63521750 +1
  H    -1.43454118 +1   1.38533742 +1   0.30784025 +1
  H    -0.72346941 +1   1.36174989 +1  -1.35349019 +1