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NORMCORD

NORMCORD

This record contains the normal coordinates (as a NRX*NRX matrix) obtained in a frequency calculation. Note that all normal coordinates (including those for translational and rotational modes) are stored and that the normal coordinates for a specific mode are given by the elements of the corresponding column of the NRX*NRX matrix.

Data type: floating point. Dimension: NRX*NRX . Written by: xjoda.

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Page last modified on June 10, 2011, at 05:01 AM
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CFOUR is partially supported by the U.S. National Science Foundation.