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II.A.3. (XII.A.1.)

Listing of experimental geometry data for H2CO (Formaldehyde)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
A B C
9.40530 1.29530 1.13420
Rotational Constants from 1966Herzberg
Calculated rotational constants for H2CO (Formaldehyde).

Point Group C2v

Internal coordinates (distances (r) in Å) (angles (a) in degrees) (dihedrals (d) in degrees)
Description Value Connectivity Reference Comment
Atom 1 Atom 2 Atom 3 Atom 4
rCH 1.111 2 3 Gurvich
rCO 1.205 1 2 Gurvich
aHCH 116.133 3 2 4 Gurvich
aHCO 121.9 1 2 3 Gurvich from aHCH by symmetry
picture of Formaldehyde

Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
H-C 2
C=O 1

Atom x (Å) y (Å) z (Å)
O1 0.0000 0.0000 1.2050
C2 0.0000 0.0000 0.0000
H3 0.0000 0.9429 -0.5876
H4 0.0000 -0.9429 -0.5876

Atom - Atom Distances (Å)
  O1 C2 H3 H4
O11.20502.02552.0255
C21.20501.11101.1110
H32.02551.11101.8857
H42.02551.11101.8857

Calculated geometries for H2CO (Formaldehyde).


References
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squib reference DOI
1966Herzberg Herzberg, G., Electronic spectra and electronic structure of polyatomic molecules,Van Nostrand,New York, 1966  
Gurvich Gurvich, L.V.; Veyts, I. V.; Alcock, C. B., Thermodynamic Properties of Individual Substances, Fouth Edition, Hemisphere Pub. Co., New York, 1989 10.1351/pac198961061027

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