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Cartesian versus Z-matrix displacements
Cartesian
displacements yield usually a higher accuracy than Z-matrix displacements because in the former case
cancellation of numerical integration errors between the different
geometries is (almost always) larger.
If Z-matrix coordinates are used as the displacement
variables, then make sure that no bond angles of 180 (or zero) degrees are
among them. They will very probably be treated incorrectly. If your molecule
has such bond angles, use dummies to redefine the coordinates or use Cartesian
displacements.
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