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

Listing of experimental geometry data for CFCl3 (Trichloromonofluoromethane)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
0.08224 0.08224  
Rotational Constants from 1960Lon/Wil:508
Calculated rotational constants for CFCl3 (Trichloromonofluoromethane).

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
rCF 1.345 1 2 1998Kuc rg value
rCCl 1.764 1 3 1998Kuc rg value
aClCCl 110.5 3 1 4 1998Kuc rg value
aFCCl 108.42 2 1 3 1998Kuc from symmetry
picture of Trichloromonofluoromethane

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

Atom x (Å) y (Å) z (Å)
C1 0.0000 0.0000 0.2472
F2 0.0000 0.0000 1.5922
Cl3 0.0000 1.6732 -0.3101
Cl4 1.4491 -0.8366 -0.3101
Cl5 -1.4491 -0.8366 -0.3101

Atom - Atom Distances (Å)
  C1 F2 Cl3 Cl4 Cl5

Calculated geometries for CFCl3 (Trichloromonofluoromethane).

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squib reference DOI
1960Lon/Wil:508 MW Long, Q Williams, TL Weatherly "Micorwave Spectrum of CFCl3" J. Chem. Phys. 33(2), 508, 1960 10.1063/1.1731176
1998Kuc K Kuchitsu(ed) "Structure of Free Polyatomic Molecules - Basic Data" Springer, Berlin, 1998  

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