Accuracy

carbon dioxide   1046 Carbon dioxide

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    #  Species Formula
  1036 Lithium hydroxide dimerH2Li2O2
  1037 Beryllium di-hydroxideH2BeO2
  1038 BO2.BO2
  1039 BO2. (Geo)BO2
  1040 Boron oxide hydroxideHBO2
  1041 HOBOHBO2
  1042 Dihydroxyborane(1)H3BO2
  1043 LiBO2LiBO2
  1044 O-B-B-OB2O2
  1045 O-B-B-O (Geo)B2O2
  1046 Carbon dioxide CO2
  1047 Carbon dioxide (Geo)CO2
  1048 Formate, anionHCO2
  1049 Formic acidCH2O2
  1050 Formic acid (Geo)CH2O2
  1051 trans Glyoxal (Geo)C2H2O2
  1052 trans GlyoxalC2H2O2
  1053 Acetate, anionC2H3O2
  1054 Acetic acidC2H4O2
  1055 Methyl formate (Geo)C2H4O2
  1056 Methyl formateC2H4O2


ΔHf: -94.0 kcal/mol,     REF: M. W. Chase, C. A. Davies, J. R. Downey, D. R. Frurip, R. A. McDonald, A. N. Syverud, JANAF Thermochemical Tables, Third Edition, J. Phys. Chem. Ref. Data 14, Suppl. 1 (1985).
I.P.: 13.8 eV,     REF: D. W. Turner, C. Baker, A. D. Baker, C. R. Brundle, "Molecular Photoelectron Spectroscopy," Wiley-Interscience, London, 1970.
  
 SYMMETRY PM7
Carbon dioxide
 HR=JANAF86 I=13.78 H=-94.05 IR=TBBB1970
 
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.16806500 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.16806500 +1  180.0000000 +1    0.0000000 +0     2     1     0
 
   2  1    3