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

Listing of experimental geometry data for CF3Cl (Methane, chlorotrifluoro-)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
A B C
0.19130 0.11126 0.11126
Rotational Constants from 1985Haj/Pas:233, 1982Car/Mus:286
Calculated rotational constants for CF3Cl (Methane, chlorotrifluoro-).

Point Group C3v

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
rCCl 1.752 1 2 1987Kuchitsu(II/15)
rCF 1.325 1 3 1987Kuchitsu(II/15)
aFCF 108.6 3 1 4 1987Kuchitsu(II/15)
aFCCl 110.3 2 1 3 1987Kuchitsu(II/15) by symmetry
picture of Methane, chlorotrifluoro-

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

Atom x (Å) y (Å) z (Å)
C1 0.0000 0.0000 -0.3471
Cl2 0.0000 0.0000 1.4049
F3 0.0000 1.2425 -0.8074
F4 1.0760 -0.6212 -0.8074
F5 -1.0760 -0.6212 -0.8074

Atom - Atom Distances (Å)
  C1 Cl2 F3 F4 F5
C11.75201.32501.32501.3250
Cl21.75202.53742.53742.5374
F31.32502.53742.15202.1520
F41.32502.53742.15202.1520
F51.32502.53742.15202.1520

Calculated geometries for CF3Cl (Methane, chlorotrifluoro-).


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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