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

Listing of experimental geometry data for C6H10 (Bicyclo[3.1.0]hexane)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
A B C
0.18489 0.14133 0.10431
Rotational Constants from NISThydrocarbon
Calculated rotational constants for C6H10 (Bicyclo[3.1.0]hexane).

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 1.530 3 6 1987Kuchitsu(II/15)
rCC 1.513 12 15 1987Kuchitsu(II/15)
rCC 1.513 13 15 1987Kuchitsu(II/15)
rCH 1.092 3 4 1987Kuchitsu(II/15) average
rCH 1.082 15 16 1987Kuchitsu(II/15)
aCCC 107.9 6 3 9 1987Kuchitsu(II/15)
aCCC 100.8 3 9 15 1987Kuchitsu(II/15)
aCCC 108.1 6 13 15 1987Kuchitsu(II/15)
aHCH 109.3 7 6 8 1987Kuchitsu(II/15)
aHCH 116 1 12 2 1987Kuchitsu(II/15)
dCCCC 142 3 9 15 13 1987Kuchitsu(II/15)
dCCCC 117 6 9 15 12 1987Kuchitsu(II/15)
picture of Bicyclo[3.1.0]hexane

Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
H-C 10
C-C 7

Atom x (Å) y (Å) z (Å)

Atom - Atom Distances (Å)
 

Calculated geometries for C6H10 (Bicyclo[3.1.0]hexane).


References
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squib reference DOI
1987Kuchitsu(II/15) Kuchitsu (ed.), Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 15: Structure Data of Free Polyatomic Molecules. Springer-Verlag, Berlin, 1987.  
NISThydrocarbon NIST Hydrocarbon spectral database (http://www.physics.nist.gov/PhysRefData/MolSpec/Hydro/index.html)  

Got a better number? Please email us at cccbdb@nist.gov


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