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

Listing of experimental geometry data for CH2ClCHClCH3 (Propane, 1,2-dichloro-)

No experimental rotational constants available.
Calculated rotational constants for CH2ClCHClCH3 (Propane, 1,2-dichloro-).

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
rCC 1.519 1 5 1992Kuchitsu(II/21)
rCCl 1.793 1 2 1992Kuchitsu(II/21)
rCH 1.113 1 3 1992Kuchitsu(II/21)
aCCC 114.4 1 5 8 1992Kuchitsu(II/21)
aCCCl 111.2 2 1 5 1992Kuchitsu(II/21)
aCCCl 108 1 5 7 1992Kuchitsu(II/21)
aCCCl 109.7 7 5 8 1992Kuchitsu(II/21)
aHCC 109.8 5 1 3 1992Kuchitsu(II/21)
aHCCl 109 6 5 7 1992Kuchitsu(II/21)
aHCC 109 5 8 9 1992Kuchitsu(II/21)
aHCC 110 1 5 6 1992Kuchitsu(II/21)
dClCCCl 174 2 1 5 7 1992Kuchitsu(II/21)
picture of Propane, 1,2-dichloro-

Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
H-C 6
C-C 2
C-Cl 2

Atom x (Å) y (Å) z (Å)

Atom - Atom Distances (Å)
 

Calculated geometries for CH2ClCHClCH3 (Propane, 1,2-dichloro-).


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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