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

Listing of experimental geometry data for C5H10 (Cyclopropane, 1,1-dimethyl-)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
A B C
0.20465 0.17357 0.12711
Rotational Constants from NISThydrocarbon
Calculated rotational constants for C5H10 (Cyclopropane, 1,1-dimethyl-).

Point Group C2v

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 1.095 4 10 1987Kuchitsu(II/15) !assumed, on C's outside of ring
rCH 1.080 2 6 1987Kuchitsu(II/15) in ring
rCC 1.514 1 4 1987Kuchitsu(II/15) to C outside ring
rCC 1.520 1 2 1987Kuchitsu(II/15) !assumed, ring bonds
aHCH 116.2 6 2 7 1987Kuchitsu(II/15) !assumed, in ring
aCCC 115.6 4 1 5 1987Kuchitsu(II/15) uses out of ring C
picture of Cyclopropane, 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 10
C-C 5

Atom x (Å) y (Å) z (Å)

Atom - Atom Distances (Å)
 

Calculated geometries for C5H10 (Cyclopropane, 1,1-dimethyl-).


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)  

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