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

ethylene oxide    744 Ethylene oxide

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    #  Species Formula
   734 Methanol (Geo)CH4O
   735 MethanolCH4O
   736 Lithium methoxide (Geo)H3LiCO
   737 Lithium methoxideH3LiCO
   738 BH3COH3BCO
   739 BH3CO (Geo)H3BCO
   740 Ketene (Geo)C2H2O
   741 KeteneC2H2O
   742 AcetaldehydeC2H4O
   743 Acetaldehyde (Geo)C2H4O
   744 Ethylene oxide C2H4O
   745 Ethoxy, anionC2H5O
   746 Dimethyl ether (Geo)C2H6O
   747 Dimethyl etherC2H6O
   748 EthanolC2H6O
   749 PropynalC3H2O
   750 AcroleinC3H4O
   751 Acrolein (Geo)C3H4O
   752 AcetoneC3H6O
   753 Acetone (Geo)C3H6O
   754 PropanalC3H6O


ΔHf: -12.6 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
Dipole: 1.9 Debye,     REF: R. D. Nelson, D. R. Lide, A. A. Maryott, Nat. Stand. Ref. Data Set., Natl. Bur. Stand. No. 10 (1967).
I.P.: 10.6 eV,     REF: D. W. Turner, C. Baker, A. D. Baker, C. R. Brundle, "Molecular Photoelectron Spectroscopy," Wiley-Interscience, London, 1970.
  
 PM7
Ethylene oxide
 D=1.89 HR=C&P1970 I=10.57 H=-12.58 DR=NLM1967 IR=TBBB1970
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.43016541 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.48510540 +1   58.7124193 +1    0.0000000 +0     1     2     0
  H     1.08724737 +1  114.9257407 +1 -112.6536228 +1     1     2     3
  H     1.08724774 +1  114.9169908 +1  112.6403854 +1     1     2     3
  H     1.08702236 +1  121.0639262 +1  102.3263761 +1     3     1     2
  H     1.08702294 +1  121.0777541 +1 -102.3308208 +1     3     1     2