Note

This website is presently under development. The primary website for MOPAC is still http://openmopac.net until the majority of its contents have been migrated here.

A0

Regard the input geometry as being specified in atomic units (Bohr), which overrides the default behavior.

By default, geometries in MOPAC’s standard format and Gaussian’s Z-matrix format are assumed to be in Angstroms, and geometries in TURBOMOLE’s format are assumed to be in Bohr.