Knowledge Bank

The dipole moment surface and energy surface of $H2O$ was calculated using a high -quality basis sec with 132 basis functions and a multi-reference CISD wave function with a 6-orbital complete-active-space reference 312 points were calculated with energies up to $25000cm-1$ above the minimum, including bond lengths from 0.770 {\AA} to 1.48 {\AA} and bond angles from $41\circ$ to $169\circ$. The dipole moment surface will be compared with experiment and recent {ab initio} calculations. In addition, force constants and spectroscopic data from a perturbational treatment will also be presented.