return to home page

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

Listing of experimental geometry data for CF2 (Difluoromethylene)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
2.95050 0.41977 0.36753
Rotational Constants from 1997Pou/Pau:5327
Calculated rotational constants for CF2 (Difluoromethylene).

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
rCF 1.297 1 2 1997Pou/Pau:5327
aFCF 104.858 2 1 3 1997Pou/Pau:5327
picture of Difluoromethylene

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

Atom x (Å) y (Å) z (Å)
C1 0.0000 0.0000 0.5932
F2 0.0000 1.0282 -0.1977
F3 0.0000 -1.0282 -0.1977

Atom - Atom Distances (Å)
  C1 F2 F3

Calculated geometries for CF2 (Difluoromethylene).

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
1997Pou/Pau:5327 JC Poutsma, JA Paulino, RR Squires "Absolute Heats of Formation of CHCl, CHF, CClF. A Gas-Phase Experimental and G2 Theroretical Study" J. Phys. Chem. A 1997, 101, 5327-5336 10.1021/jp970778f

Got a better number? Please email us at