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

Welcome to the MOPAC website

MOPAC [17], the Molecular Orbital PACkage, is software for performing quantum chemistry calculations based on semiempirical thermochemistry models (e.g. AM1, PM3, PM6, PM7). MOPAC has been under active development since 1981, led by James J. P. Stewart.

Ask users to cite MOPAC if they use it to produce results in a scientific publication.

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