return to home page

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
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

Calculated geometries for CF2Cl2 (difluorodichloromethane).

By selecting the following links, you may be leaving NIST webspace. We have provided these links to other web sites because they may have information that would be of interest to you. No inferences should be drawn on account of other sites being referenced, or not, from this page. There may be other web sites that are more appropriate for your purpose. NIST does not necessarily endorse the views expressed, or concur with the facts presented on these sites. Further, NIST does not endorse any commercial products that may be mentioned on these sites. Please address comments about this page to
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

Got a better number? Please email us at