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Listing of experimental geometry data for C2H6O2 (1,2-Ethanediol)

Rotational Constants (cm-1)


See section I.F.4 to change rotational constant units
A B C
     
Rotational Constants from
Calculated rotational constants for C2H6O2 (1,2-Ethanediol).

Point Group C2h

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
rCO 1.420 1 4 1992Kuchitsu(II/21) !assumed
rCC 1.530 1 2 1992Kuchitsu(II/21) !assumed
rOH 0.950 3 5 1992Kuchitsu(II/21) !assumed
rCH 1.093 1 9 1992Kuchitsu(II/21) !assumed
aCCO 107.8 1 2 3 1992Kuchitsu(II/21) !assumed
aHOC 104.5 1 4 6 1992Kuchitsu(II/21) !assumed
aHCC 109.47 1 2 7 1992Kuchitsu(II/21) !assumed
dHOCC 0 2 1 4 6 1992Kuchitsu(II/21)
dOCCO 53.64 3 2 1 4 1992Kuchitsu(II/21)
picture of 1,2-Ethanediol

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
H-C 4
H-O 2
C-C 1
C-O 2
Atom x (Å) y (Å) z (Å)

Atom - Atom Distances (Å)
 

Calculated geometries for C2H6O2 (1,2-Ethanediol).
References
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squib reference DOI
1992Kuchitsu(II/21) Kuchitsu (ed.), Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 21: Structure Data of Free Polyatomic Molecules. Springer-Verlag, Berlin, 1992.  

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