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 |
|
Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
| 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 |
| C1 | | 1.0870 | 1.0870 | 1.0870 | 1.0870 |
|---|
| H2 | 1.0870 | | 1.7751 | 1.7751 | 1.7751 |
|---|
| H3 | 1.0870 | 1.7751 | | 1.7751 | 1.7751 |
|---|
| H4 | 1.0870 | 1.7751 | 1.7751 | | 1.7751 |
|---|
| H5 | 1.0870 | 1.7751 | 1.7751 | 1.7751 | |
|---|
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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