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

Listing of experimental geometry data for C2HF3 (Trifluoroethylene)

No experimental rotational constants available.
Calculated rotational constants for C2HF3 (Trifluoroethylene).

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 1.341 1 2 1987Kuchitsu(II/15)
rCF 1.316 1 3 1987Kuchitsu(II/15) C1-F3 assumed = C1-F4
rCF 1.342 2 5 1987Kuchitsu(II/15)
rCH 1.100 2 6 1987Kuchitsu(II/15)
aCCF 123.1 2 1 4 1987Kuchitsu(II/15)
aCCF 124 2 1 3 1987Kuchitsu(II/15)
aFCF 112 3 1 4 1987Kuchitsu(II/15)
aCCF 120 1 2 5 1987Kuchitsu(II/15)
aHCC 124 1 2 6 1987Kuchitsu(II/15)
aHCF 116 5 2 6 1987Kuchitsu(II/15)
picture of Trifluoroethylene

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

Atom x (Å) y (Å) z (Å)
C1 0.0000 0.4436 0.0000
C2 -0.7139 -0.6916 0.0000
F3 1.3153 0.4857 0.0000
F4 -0.5506 1.6388 0.0000
F5 -0.0873 -1.8784 0.0000
H6 -1.8133 -0.7269 0.0000

Atom - Atom Distances (Å)
  C1 C2 F3 F4 F5 H6
C11.34101.31601.31602.32352.1582
C21.34102.34602.33621.34201.1000
F31.31602.34602.19352.74883.3554
F41.31602.33622.19353.54762.6816
F52.32351.34202.74883.54762.0749
H62.15821.10003.35542.68162.0749

Calculated geometries for C2HF3 (Trifluoroethylene).


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.  

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