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

Listing of experimental geometry data for CH2ClCHCHCH3 (2-Butene, 1-chloro-)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
A B C
     
Rotational Constants from
Calculated rotational constants for CH2ClCHCHCH3 (2-Butene, 1-chloro-).

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 1.342 5 7 1992Kuchitsu(II/21)
rCC 1.496 1 7 1992Kuchitsu(II/21) average
rCCl 1.807 10 11 1992Kuchitsu(II/21)
rCH 1.111 1 2 1992Kuchitsu(II/21) average
aCCC 125.3 1 7 5 1992Kuchitsu(II/21) average
aCCCl 110.3 5 10 11 1992Kuchitsu(II/21)
aHCC 120 5 7 6 1992Kuchitsu(II/21)
aHCC 122.7 1 7 6 1992Kuchitsu(II/21) average
picture of 2-Butene, 1-chloro-

Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
H-C 7
C-C 2
C=C 1
C-Cl 1

Atom x (Å) y (Å) z (Å)

Atom - Atom Distances (Å)
 

Calculated geometries for CH2ClCHCHCH3 (2-Butene, 1-chloro-).


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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