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

Listing of experimental geometry data for C4H10O (Ethanol, 1,1-dimethyl-)

No experimental rotational constants available.
Calculated rotational constants for C4H10O (Ethanol, 1,1-dimethyl-).

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
rCO 1.446 1 15 1992Kuchitsu(II/21)
rCC 1.529 1 5 1992Kuchitsu(II/21)
rCH 1.117 2 5 1992Kuchitsu(II/21)
aHOC 108 1 15 14 1992Kuchitsu(II/21)
aCCC 110.9 5 1 9 1992Kuchitsu(II/21)
aHCH 108.5 2 5 3 1992Kuchitsu(II/21)
picture of Ethanol, 1,1-dimethyl-

Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
H-C 9
H-O 1
C-C 3
C-O 1

Atom x (Å) y (Å) z (Å)

Atom - Atom Distances (Å)
 

Calculated geometries for C4H10O (Ethanol, 1,1-dimethyl-).


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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