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

Listing of experimental geometry data for CHF2Cl (difluorochloromethane)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
A B C
0.34139 0.16215 0.11700
Rotational Constants from 1993Caz/Cot:127
Calculated rotational constants for CHF2Cl (difluorochloromethane).

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
rCCl 1.747 1 3 1976Hellwege(II/7) r0
rCF 1.350 1 4 1976Hellwege(II/7) r0
rCH 1.090 1 2 1976Hellwege(II/7) assumed
aFCF 107 4 1 5 1976Hellwege(II/7) a0
aFCCl 110.1 3 1 4 1976Hellwege(II/7) a0
aHCCl 110.74 2 1 3 1986Mag/Gou:705
aHCF 108.99 2 1 4 1986Mag/Gou:705
picture of difluorochloromethane

Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
H-C 1
C-F 2
C-Cl 1

Atom x (Å) y (Å) z (Å)

Atom - Atom Distances (Å)
 

Calculated geometries for CHF2Cl (difluorochloromethane).


References
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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.  
1986Mag/Gou:705 JV Magill, KM Gough, WF Murphy "The vibrational spectrum and normal coordinate analysis of chlorodifluoromethane, CHClF2" Spectrochimica Acta 42A 705-715, 1986 10.1016/0584-8539(86)80088-5
1993Caz/Cot:127 G Cazzoli, G Cotti, CD Esposti "Ground State Rotational Spectrum of CHF2Cl in the Millimeter-Wave and Far-Infrared Region" J. Mol. Spect. 159, 127-136 (1993) 10.1006/jmsp.1993.1111

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