Listing of experimental geometry data for H2O (Water)
Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
Calculated rotational constants for H2O (Water).
Point Group C2v
Internal coordinates(distances (r) in Å) (angles (a) in degrees) (dihedrals (d) in degrees)
|Atom 1||Atom 2||Atom 3||Atom 4|
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
|Atom||x (Å)||y (Å)||z (Å)|
Atom - Atom Distances (Å)
Calculated geometries for H2O (Water).
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|1966Herzberg||Herzberg, G., Electronic spectra and electronic structure of polyatomic molecules,Van Nostrand,New York, 1966|
|1979Hoy/Bun:1||AR Hoy, PR Bunker, "A precise Solution of the Rotation Beninding Schrodinger Equation for a Triatomic Molecule with Application to the Water Molecule" J. Molecular Spectroscopy 74, 1-8, 1979||10.1016/0022-2852(79)90019-5|
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