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.

PM7-TS

Use the PM7-TS semiempirical model [19] instead of the default model, PM7. It is a reparameterization of the PM7 model intended for more accurate calculations of transition states and barrier heights. See the Model Overview for a comparison of the various models available in MOPAC.