The vibrational-rotational energy levels of the hydrogen peroxide isotopomers HOOD, and have been predicted by the variational method using a high-quality ab initio six-dimensional potential energy surface. The calculated energy levels are found to be in good agreement with available experimental data. The predicted spectroscopic constants for various isotopomers can be useful in a future analysis of the rotational-torsional spectra and experimental determination of the equilibrium structure of hydrogen peroxide.
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