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

Listing of experimental geometry data for HOCH2COOH (Hydroxyacetic acid)

No experimental rotational constants available.
Calculated rotational constants for HOCH2COOH (Hydroxyacetic acid).

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
rCC 1.495 1 2 1987Kuchitsu(II/15)
rCO 1.349 2 3 1987Kuchitsu(II/15)
rCO 1.210 2 4 1987Kuchitsu(II/15)
rHC 1.097 1 6 1987Kuchitsu(II/15)
rCO 1.406 1 5 1987Kuchitsu(II/15)
rHO 0.989 3 9 1987Kuchitsu(II/15)
rHO 0.956 5 8 1987Kuchitsu(II/15)
aCCO 112.6 1 2 3 1987Kuchitsu(II/15)
aCCO 124.2 1 2 4 1987Kuchitsu(II/15)
aCCO 111.3 2 1 5 1987Kuchitsu(II/15)
aHCC 108.8 2 1 6 1987Kuchitsu(II/15)
aHCO 110.6 5 1 6 1987Kuchitsu(II/15)
aHOC 105.5 2 3 9 1987Kuchitsu(II/15)
aHOC 105.2 1 5 8 1987Kuchitsu(II/15)
dHOC=O 0 4 2 3 9 1987Kuchitsu(II/15)
dO=CCO 0 4 2 1 5 1987Kuchitsu(II/15)
dHOCC 0 2 1 5 8 1987Kuchitsu(II/15)
picture of Hydroxyacetic acid

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

Atom x (Å) y (Å) z (Å)

Atom - Atom Distances (Å)
 

Calculated geometries for HOCH2COOH (Hydroxyacetic acid).

References
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squib reference DOI
1987Kuchitsu(II/15) Kuchitsu (ed.), Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 15: Structure Data of Free Polyatomic Molecules. Springer-Verlag, Berlin, 1987.  

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