return to home page

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

Listing of experimental geometry data for CH2CCl2 (Ethene, 1,1-dichloro-)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
0.24907 0.11379 0.07802
Rotational Constants from 1966Herzberg
Calculated rotational constants for CH2CCl2 (Ethene, 1,1-dichloro-).

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
rCC 1.324 1 2 1974sve/kov
rCCl 1.710 2 5 1974sve/kov
rCH 1.070 1 3 1974sve/kov
aClCCl 114.5 5 2 6 1974sve/kov
aHCH 120 3 1 4 1974sve/kov
aCCCl 122.75 1 2 5 1974sve/kov by symmetry
aHCC 120 2 1 3 1974sve/kov by symmetry
picture of Ethene, 1,1-dichloro-

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

Atom x (Å) y (Å) z (Å)
C1 0.0000 0.0000 1.7363
C2 0.0000 0.0000 0.4123
H3 0.0000 0.9266 2.2713
H4 0.0000 -0.9266 2.2713
Cl5 0.0000 1.4382 -0.5128
Cl6 0.0000 -1.4382 -0.5128

Atom - Atom Distances (Å)
  C1 C2 H3 H4 Cl5 Cl6

Calculated geometries for CH2CCl2 (Ethene, 1,1-dichloro-).

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
1966Herzberg Herzberg, G., Electronic spectra and electronic structure of polyatomic molecules,Van Nostrand,New York, 1966  
1974sve/kov L.M. Sverdlov, M. A. Kovner, E. P. Krainov, "Vibrational Spectra of Polyatomic Molecules" Wiley, New York 1974  

Got a better number? Please email us at