Accuracy

carbon monoxide    722 Carbon monoxide

(Previous)     (Back)     (Next)         Geometry predicted using PM7

   

    #  Species Formula
   712 Lithium hydroxide (Geo)HLiO
   713 Lithium hydroxideHLiO
   714 Lithium oxide (Li2O) (Geo)Li2O
   715 Lithium oxide (Li2O)Li2O
   716 Beryllium oxide (Geo)BeO
   717 Beryllium hydroxideHBeO
   718 Beryllium oxideBe2O
   719 BO (Geo)BO
   720 Boron oxideBO
   721 HydroxyboraneH3BO
   722 Carbon monoxide CO
   723 Carbon monoxide (Geo)CO
   724 HCO, cationHCO
   725 HCOHCO
   726 Formaldehyde (Geo)CH2O
   727 FormaldehydeCH2O
   728 CH2OH, cationCH3O
   729 CH2OH, radicalCH3O
   730 Methoxy, radicalCH3O
   731 Methoxy, anionCH3O
   732 Methanol (Geo)CH4O


ΔHf: -26.4 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).
Dipole: 0.1 Debye,     REF: R. D. Nelson, D. R. Lide, A. A. Maryott, Nat. Stand. Ref. Data Set., Natl. Bur. Stand. No. 10 (1967).
I.P.: 14.0 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 monoxide
 DR=NLM1967 D=0.11 I=14.01 IR=LLNBS82 HR=JANAF86 H=-26.42
 XX     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.00000000 +0    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.13914469 +1   90.0000000 +0    0.0000000 +0     2     1     0