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Calculations With Non-standard Isotopes

input and output for a harmonic-frequency calculation with a non-standard choice of masses using the %mass keyword.

input and output for a harmonic-frequency calculation with a non-standard choice of masses using the %isotop keyword.

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Page last modified on December 01, 2010, at 11:26 AM
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CFOUR is partially supported by the U.S. National Science Foundation.