Orbitals of the Hydrated Hydroxide Ion (HO--H2O)
The molecular orbitals were calculated using the Restricted
Hartree-Fock wave function (RHF) using the 6-31G** basis set.
The calculated energies are in eV. There is clearly more molecular
orbital overlap between the molecules than in the water
dimer, indicating the stronger hydrogen bonding.
Interactive structures with orbitals are available
(COW [Plug-in, ActiveX]