PM7 Accuracy

carbon suboxide   1066 Carbon suboxide

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    #  Species Formula
  1056 Acetate, anionC2H3O2
  1057 Acetic acidC2H4O2
  1058 Acetic acidC2H4O2
  1059 Methyl formate (Geo)C2H4O2
  1060 Methyl formateC2H4O2
  1061 Dimethyl peroxideC2H6O2
  1062 Ethylene glycolC2H6O2
  1063 H2O - CH3OCH3 (Geo)C2H8O2
  1064 DimethoxyboraneH7BC2O2
  1065 Carbon suboxide (Geo)C3O2
  1066 Carbon suboxide C3O2
  1067 2-Oxo-propanalC3H4O2
  1068 2-Propenoic acidC3H4O2
  1069 beta-PropiolactoneC3H4O2
  1070 1,3-DioxalaneC3H6O2
  1071 Ethyl formateC3H6O2
  1072 Methyl acetateC3H6O2
  1073 Propionic acidC3H6O2
  1074 1,3-PropanediolC3H8O2
  1075 2-MethoxyethanolC3H8O2
  1076 DimethoxymethaneC3H8O2


DHf: -22.4 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.
  
 PM7
Carbon suboxide
 H=-22.4 HR=C&P1970 I=10.6 IR=LLNBS82 HWT=0.5
  O     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.15868910  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.27953216  1  180.0000000  0    0.0000000  0     2     1     0
  C     1.27954002  1  180.0000000  0    0.0000000  0     3     2     1
  O     1.15869235  1  179.0000000  0    0.0000000  0     4     3     2