Accuracy

propylene glycol   1073 Propylene glycol

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    #  Species Formula
  1063 2-Oxo-propanalC3H4O2
  1064 2-Propenoic acidC3H4O2
  1065 beta-PropiolactoneC3H4O2
  1066 1,3-DioxalaneC3H6O2
  1067 Ethyl formateC3H6O2
  1068 Methyl acetateC3H6O2
  1069 Propionic acidC3H6O2
  1070 1,3-PropanediolC3H8O2
  1071 2-MethoxyethanolC3H8O2
  1072 DimethoxymethaneC3H8O2
  1073 Propylene glycol C3H8O2
  1074 2-Butenoic acidC4H6O2
  1075 2-Methyl-2-propenic acidC4H6O2
  1076 DiacetylC4H6O2
  1077 gamma ButyrolactoneC4H6O2
  1078 Methyl 2-propenoateC4H6O2
  1079 1,1 Dimethoxy etheneC4H8O2
  1080 1,3 DioxanC4H8O2
  1081 1,4-DioxaneC4H8O2
  1082 Ethyl acetateC4H8O2
  1083 1,2-DimethoxyethaneC4H10O2


ΔHf: -102.7 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
Propylene glycol
 H=-102.7 HR=NIST
  C    -0.00176179 +1   0.02477421 +1  -0.03987115 +1
  C     1.51988678 +1   0.03680680 +1   0.04475276 +1
  C     2.09127582 +1   1.46984109 +1   0.00823270 +1
  O     1.93286132 +1   2.07368260 +1   1.27352952 +1
  O     1.95187176 +1  -0.63973466 +1  -1.12490617 +1
  H    -0.37682048 +1  -1.00719613 +1  -0.09355854 +1
  H    -0.35528942 +1   0.52948799 +1  -0.94899794 +1
  H    -0.46017124 +1   0.50634757 +1   0.82865007 +1
  H     1.88442961 +1  -0.50944218 +1   0.94275457 +1
  H     1.62250165 +1   2.08820634 +1  -0.77415056 +1
  H     3.18670893 +1   1.47137247 +1  -0.13797344 +1
  H     0.98726632 +1   2.24199267 +1   1.45889517 +1
  H     2.89606665 +1  -0.87575882 +1  -1.06446741 +1