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

Listing of experimental geometry data for C3H4O (Cyclopropanone)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
Rotational Constants from
Calculated rotational constants for C3H4O (Cyclopropanone).

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
rCO 1.191 1 2 1976Hellwege(II/7)
rCC 1.475 1 3 1976Hellwege(II/7)
rCC 1.575 3 4 1976Hellwege(II/7) opposite =C
rCH 1.086 3 5 1976Hellwege(II/7)
aCCC 57.7 1 3 4 1976Hellwege(II/7)
aHCH 114.1 5 3 6 1976Hellwege(II/7)
aCCC 64.6 3 1 4 1976Hellwege(II/7) middle C has =O
aCCO 147.7 2 1 3 1976Hellwege(II/7) by symmetry
picture of Cyclopropanone

Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
H-C 4
C-C 3
C=O 1

Atom x (Å) y (Å) z (Å)

Atom - Atom Distances (Å)

Calculated geometries for C3H4O (Cyclopropanone).

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squib reference DOI
1976Hellwege(II/7) Hellwege, KH and AM Hellwege (ed.). Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 7: Structure Data of Free Polyatomic Molecules. Springer-Verlag. Berlin. 1976.  

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