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QRHFIRR

QRHFIRR The symmetries of the orbitals which are involved in the QRHF orbital occupation alteration. A minus sign indicates that a $\beta$ orbital of the associated symmetry will be depopulated, while a positive sign indicates that an $\alpha$ orbital will be populated.

Data type: floating point. Dimension: QRHFTOT. Written by: xjoda.

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Page last modified on June 10, 2011, at 05:05 AM
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CFOUR is partially supported by the U.S. National Science Foundation.