return to home page

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

Listing of experimental geometry data for CH4 (Methane)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
5.24120 5.24120 5.24120
Rotational Constants from 1966Herzberg
Calculated rotational constants for CH4 (Methane).

Point Group Td

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
rCH 1.087 1 2 1979Hir:213 re
aHCH 109.471 2 1 3 1974sve/kov
picture of Methane

Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
H-C 4

Atom x (Å) y (Å) z (Å)
C1 0.0000 0.0000 0.0000
H2 0.6276 0.6276 0.6276
H3 0.6276 -0.6276 -0.6276
H4 -0.6276 0.6276 -0.6276
H5 -0.6276 -0.6276 0.6276

Atom - Atom Distances (Å)
  C1 H2 H3 H4 H5

Calculated geometries for CH4 (Methane).

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  
1979Hir:213 E Hirota "Anharmonic Potential Function and Equilibrium Structure of Methane" J. Mol. Spect. 77, 213-221 (1979) 10.1016/0022-2852(79)90103-6

Got a better number? Please email us at