PM7 Accuracy

formaldehyde    730 Formaldehyde

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    #  Species Formula
   720 Beryllium hydroxideHBeO
   721 Beryllium oxideBe2O
   722 BO (Geo)BO
   723 Boron oxideBO
   724 HydroxyboraneH3BO
   725 Carbon monoxideCO
   726 Carbon monoxide (Geo)CO
   727 HCO, cationHCO
   728 HCOHCO
   729 Formaldehyde (Geo)CH2O
   730 Formaldehyde CH2O
   731 CH2OH, cationCH3O
   732 CH2OH, radicalCH3O
   733 Methoxy, radicalCH3O
   734 Methoxy, anionCH3O
   735 Methanol (Geo)CH4O
   736 MethanolCH4O
   737 Lithium methoxide (Geo)H3LiCO
   738 Lithium methoxideH3LiCO
   739 BH3COH3BCO
   740 BH3CO (Geo)H3BCO


DHf: -26.0 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
Dipole: 2.3 Debye,     REF: R. D. Nelson, D. R. Lide, A. A. Maryott, Nat. Stand. Ref. Data Set., Natl. Bur. Stand. No. 10 (1967).
I.P.: 10.1 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 PM7
Formaldehyde
 DR=NLM1967 D=2.33 I=10.1 IR=LLNBS82 HR=C&P1970 H=-25.95 CP=8.46 S=52.29
  O     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.20614535  1    0.0000000  0    0.0000000  0     1     0     0
  H     1.09115835  1  121.2760770  1    0.0000000  0     2     1     0
  H     1.09115835  1  121.2760770  1  180.0000000  1     2     1     3
 
   3  1    4
   3  2    4