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Vibrational corrections

DALTON provides an efficient automated procedure for calculating rovibrationally averaged molecular $r_\alpha$ geometries, as well as an automated procedure for calculating vibrational averages of a large range of second-order molecular properties, for SCF and MCSCF wave functions. In the current implementation, it is not possible to exploit point-group symmetry, and one must ensure that the symmetry is turned off in the calculation.

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{\bf Reference literature:...
...ounila and
J.~Vaara. \newblock {\em J.Chem.Phys.}, to be published.
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Subsections

Dalton Manual - Release 1.2.1