Accuracy

trans glyoxal    893 trans Glyoxal

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    #  Species Formula
   883 2ME_B3P (Torsion angle) (Geo)C22H26N4O
   884 Oxygen (Singlet)O2
   885 Hydrogen peroxide (Geo)H2O2
   886 Hydrogen peroxideH2O2
   887 Carbon dioxideCO2
   888 Carbon dioxide (Geo)CO2
   889 Formate, anionHCO2
   890 Formic acidCH2O2
   891 Formic acid (Geo)CH2O2
   892 trans Glyoxal (Geo)C2H2O2
   893 trans Glyoxal C2H2O2
   894 Acetate, anionC2H3O2
   895 Acetic acidC2H4O2
   896 Methyl formate (Geo)C2H4O2
   897 Methyl formateC2H4O2
   898 Dimethyl peroxideC2H6O2
   899 Ethylene glycolC2H6O2
   900 Carbon suboxide (Geo)C3O2
   901 Carbon suboxideC3O2
   902 2-Oxo-propanalC3H4O2
   903 2-Propenoic acidC3H4O2


ΔHf: -50.7 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
I.P.: 10.6 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.
  
 SYMMETRY
trans Glyoxal
 I=10.59 IR=LLNBS82 H=-50.7 HR=C&P1970 S=65.13 CP=14.48
 
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.20275551 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.52699343 +1  119.3771152 +1    0.0000000 +0     2     1     0
  O     1.20275551 +0  119.3771152 +0  180.0000000 +0     3     2     1
  H     1.09436916 +1  117.4770081 +1  180.0000000 +0     3     2     4
  H     1.09436916 +0  117.4770081 +0  180.0000000 +0     2     3     5
 
   2  1    4
   3  2    4
   5  1    6
   5  2    6