PM7 Accuracy

carbon monoxide    725 Carbon monoxide

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

   

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


DHf: -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