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

Listing of experimental geometry data for C4H8O2 (1,3-Dioxolane, 2-methyl-)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
A B C
     
Rotational Constants from
Calculated rotational constants for C4H8O2 (1,3-Dioxolane, 2-methyl-).

Point Group C1

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 1.102 1 2 1992Kuchitsu(II/21)
rCC 1.522 1 5 1992Kuchitsu(II/21) average
rCO 1.422 5 7 1992Kuchitsu(II/21) average
aCCO 105.2 7 12 9 1992Kuchitsu(II/21)
aCCO 110.9 1 5 7 1992Kuchitsu(II/21) to methyl
aHCH 118 2 1 3 1992Kuchitsu(II/21) !assumed
picture of 1,3-Dioxolane, 2-methyl-

Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
H-C 8
C-C 4
C-O 2

Atom x (Å) y (Å) z (Å)

Atom - Atom Distances (Å)
 

Calculated geometries for C4H8O2 (1,3-Dioxolane, 2-methyl-).


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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