Accuracy

acetaldehyde    603 Acetaldehyde

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    #  Species Formula
   593 HCOHCO
   594 Formaldehyde (Geo)CH2O
   595 FormaldehydeCH2O
   596 CH2OH, cationCH3O
   597 Methoxy, radicalCH3O
   598 Methoxy, anionCH3O
   599 Methanol (Geo)CH4O
   600 MethanolCH4O
   601 Ketene (Geo)C2H2O
   602 KeteneC2H2O
   603 Acetaldehyde C2H4O
   604 Acetaldehyde (Geo)C2H4O
   605 Ethylene oxideC2H4O
   606 Ethoxy, anionC2H5O
   607 Dimethyl ether (Geo)C2H6O
   608 Dimethyl etherC2H6O
   609 EthanolC2H6O
   610 PropynalC3H2O
   611 AcroleinC3H4O
   612 Acrolein (Geo)C3H4O
   613 AcetoneC3H6O


ΔHf: -39.7 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
Dipole: 2.7 Debye,     REF: R. D. Nelson, D. R. Lide, A. A. Maryott, Nat. Stand. Ref. Data Set., Natl. Bur. Stand. No. 10 (1967).
I.P.: 10.2 eV,     REF: R. D. Levin, S. G. Lias, "Ionization Potentials and Appearance Potential Measurements," 1971-1981, Natl. Stand. Ref. Data Ser., Natl. Bur. Stand. 71, (1982), Cat. No. C13.48:71.
  
 NOINTER NOXYZ
Acetaldehyde
 DR=NLM1967 I=10.21 IR=LLNBS82 D=2.69 HR=C&P1970 H=-39.73
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.49846220 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     1.09799693 +1  111.3814698 +1    0.0000000 +0     2     1     0
  H     1.09814287 +1  111.3180172 +1  120.0831481 +1     2     1     3
  H     1.10088737 +1  111.7021989 +1 -120.0000508 +1     2     1     3
  H     1.09750371 +1  117.2113115 +1  -59.4808390 +1     1     2     3
  O     1.20552792 +1  122.1721077 +1  120.5255821 +1     1     2     3