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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
A B C
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
C11.08701.08701.08701.0870
H21.08701.77511.77511.7751
H31.08701.77511.77511.7751
H41.08701.77511.77511.7751
H51.08701.77511.77511.7751

Calculated geometries for CH4 (Methane).


References
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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

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