QUATERNION

Keyword allowing input with quaternions. After this line, their is one line per molecule that should look like : 1 1.0 0.0 .0 1.0 0.0 0.0 0.0 (unit number, coordinates of center of mass, 4 quaternions numbers) This should be associated with the MOLECULE keyword.

BOHR

Coordinates or bond distances are given in atomic

ANGST

Coordinates or bond distances are given in Angstrom.