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

Listing of experimental geometry data for HCO (Formyl radical)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
A B C
22.36500 1.49440 1.40080
Rotational Constants from 1966Herzberg
Calculated rotational constants for HCO (Formyl radical).

Point Group Cs

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 1.080 1 2 1966Herzberg
rCO 1.198 1 3 1966Herzberg
aHCO 119.5 2 1 3 1966Herzberg
picture of Formyl radical

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

Atom x (Å) y (Å) z (Å)
C1 0.0000 0.0000 0.0000
H2 1.0800 0.0000 0.0000
O3 -0.5899 1.0427 0.0000

Atom - Atom Distances (Å)
  C1 H2 O3
C11.08001.1980
H21.08001.9687
O31.19801.9687

Calculated geometries for HCO (Formyl radical).


References
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squib reference DOI
1966Herzberg Herzberg, G., Electronic spectra and electronic structure of polyatomic molecules,Van Nostrand,New York, 1966  

Got a better number? Please email us at cccbdb@nist.gov


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