Question: Under which presuppositions can AOMX determine term symbols?

Antwort: Two presuppositions must be fulfilled (see also page and appendix B.2):

1. The rotational group of the holoedrized point group of the molecule must be one of the groups , , , or . The holoedrized point group can be found out by inversion of the molecule at the origin of the coordinate system and superpositioning with its original. The required rotation group is the subgroup of all pure rotations of the holoedrized point group.
2. The molecule must be oriented in space such that the main rotational axis coincides with the z axis and that, if present, a two-fold axis perpendicular to the former coincides with the x axis of the metal coordinate system.