Freq

Controls printing of Force matrices and a few more data that are intermediate results in the computation of frequencies after all coordinate displacements have been carried out.

FREQ list

list

contains any of the items SymCoord, DMuRot, Hess.

SymCoord

print the Symmetry Coordinates, both as they are generated, and some related info in their processing later on. The Symmetry Coordinates are symmetry-adapted combinations of cartesian displacements, with the pure translations and rotations projected out.

dmuRot

info about generating Dipole-Derivative information in transformation between cartesian and internal coordinate representation as regards the rotational aspects.

Hess

processing of the completed matrix of force constants, symmetrization, transformation to other coordinates.

By default all options are off.

 

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