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

Listing of experimental geometry data for CF2Cl2 (difluorodichloromethane)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
A B C
0.13739 0.08802 0.07451
Rotational Constants from 2000Bas/Dyu:26
Calculated rotational constants for CF2Cl2 (difluorodichloromethane).

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
rCCl 1.744 1 4 1977tak/mat:636
rCF 1.345 1 2 1977tak/mat:636
aClCCl 112.55 4 1 5 1977tak/mat:636
aFCF 106.233 2 1 3 1977tak/mat:636
aFCCl 109.46 2 1 4 1977tak/mat:636 by symmetry
picture of difluorodichloromethane

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

Atom x (Å) y (Å) z (Å)
C1 0.0000 0.0000 0.3171
F2 0.0000 1.0758 1.1243
F3 0.0000 -1.0758 1.1243
Cl4 1.4505 0.0000 -0.6512
Cl5 -1.4505 0.0000 -0.6512

Atom - Atom Distances (Å)
  C1 F2 F3 Cl4 Cl5
C11.34501.34501.74401.7440
F21.34502.15162.53262.5326
F31.34502.15162.53262.5326
Cl41.74402.53262.53262.9010
Cl51.74402.53262.53262.9010

Calculated geometries for CF2Cl2 (difluorodichloromethane).


References
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squib reference DOI
2000Bas/Dyu:26 O.I. Baskakov, S.F. Dyubko, A.A. katrich, V.V. Ilyushin, E.A. Alekseev,"Millimeter-Wave Spectrum of CF2Cl2, taking into account the hyperfine structure, J. Mol. Spec. 199, 26-33, (2000) 10.1006/jmsp.1999.7981

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