Experimental Vibrational Zero-Point Energies: Diatomic Molecules

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Vibrational zero-point energies (ZPEs), as determined from published spectroscopic constants, are derived for 85 diatomic molecules. Standard uncertainties are also provided, including estimated contributions from bias as well as the statistical uncertainties propagated from those reported in the spectroscopy literature. This compilation will be helpful for validating theoretical procedures for predicting ZPEs, which is a necessary step in the ab initio prediction of molecular energetics. ©2007 by the U.S. Secretary of Commerce on behalf of the United States. All rights reserved.