Abstract
We report a force field for HCO in the B̃ 2A′ electronic state, based on ab initio electronic energies obtained using state-averaged multiconfiguration-self-consistent field/configuration interaction wave functions. The force field is used in rigorous calculations of 27 excited vibrational states of HCO and DCO, which are compared with experiment. A detailed analysis of the fundamentals of HCO and DCO suggests a reassignment of the experimental fundamentals of DCO is necessary.
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