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

Listing of experimental geometry data for C3F8 (perfluoropropane)

No experimental rotational constants available.
Calculated rotational constants for C3F8 (perfluoropropane).

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
rCF 1.330 1 4 1995Kuchitsu(II/23
rCC 1.546 1 2 1995Kuchitsu(II/23
aCCC 115.9 2 1 3 1995Kuchitsu(II/23
aFCF 107 4 1 5 1995Kuchitsu(II/23
aFCF 109.3 6 2 8 1995Kuchitsu(II/23
aCCF 109.34 1 2 6 1995Kuchitsu(II/23
picture of perfluoropropane

Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
C-C 2
C-F 8

Atom x (Å) y (Å) z (Å)

Atom - Atom Distances (Å)
 

Calculated geometries for C3F8 (perfluoropropane).

References
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