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Complete active space scf (cas scf) calculations on the equilibrium geometry and vibrational spectrum of the hno molecule in its lowest 1a', 1a“ and 3a” states

Hno MoleculePhysicsEquilibrium GeometryNatural SciencesComputational ChemistryQuantum ChemistryChemistryMolecular ChemistryCas ScfSpectra-structure Correlation