Listing of experimental geometry data for H2OH2O (water dimer)No experimental rotational constants available.
Calculated rotational constants for H2OH2O (water dimer).
Point Group Cs
Internal coordinates(distances (r) in Å) (angles (a) in degrees) (dihedrals (d) in degrees)
|Atom 1||Atom 2||Atom 3||Atom 4|
|aOOX||51||3||2||7||1980Odu/Dyk:5062||X is on donor aHOH bisector|
|aOOX||57||2||3||8||1980Odu/Dyk:5062||X is on acceptor aHOH bisector|
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 H2OH2O (water dimer).
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|1980Odu/Dyk:5062||JA Odutola, TR Dyke "PARTIALLY DEUTERATED WATER DIMERS - MICROWAVE-SPECTRA AND STRUCTURE" J. Chem. Phys. 72(9), 5062-5070, 1980||10.1063/1.439795|
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