GEOMETRY

This keyword It specifies the molecular geometry and should be placed at the end of the input file. It is followed by the molecular geometry

BOHR

Coordinates or bond distances are given in atomic units

ANGST

Coordinates or bond distances are given in Angstrom. (This is the default

CARTE

The molecular structure is given in Cartesian coordinates. This is the default.

MIXED

The first atoms of the molecular structure are defined by Cartesian coordinates and the following ones are defined by a Z-Matrix.

ZMATR

The molecular structure is defined by a Z-Matrix