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

Listing of experimental geometry data for C5H8 (Cyclobutane, methylene-)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
A B C
0.34591 0.15359 0.11552
Rotational Constants from 1991She/Dor:237
Calculated rotational constants for C5H8 (Cyclobutane, methylene-).

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
rCH 1.101 1 6 1995Kuchitsu(II/23) average
rCC 1.331 3 5 1995Kuchitsu(II/23)
rCC 1.524 1 3 1995Kuchitsu(II/23) from C with methylene
rCC 1.557 1 4 1995Kuchitsu(II/23)
aCCC 92 1 3 2 1995Kuchitsu(II/23) center C has methyl
aHCH 106 6 1 8 1995Kuchitsu(II/23) average
aHCC 120 3 5 10 1995Kuchitsu(II/23) !assumed
picture of Cyclobutane, methylene-

Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
H-C 8
C-C 4
C=C 1

Atom x (Å) y (Å) z (Å)

Atom - Atom Distances (Å)
 

Calculated geometries for C5H8 (Cyclobutane, methylene-).


References
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squib reference DOI
1995Kuchitsu(II/23) Kuchitsu (ed.), Landolt-Bornstein: Group II: Molecules and Radicals Volume 23: Structure Data for Free Polyatomic Molecules. Springer. Berlin. 1995  

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