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.

TRANS

The facility exists to allow the THERMO calculation to handle systems with internal rotations. TRANS=n will remove the n lowest vibrations. Note that TRANS=1 is equivalent to TRANS on its own. For xylene, for example, TRANS=2 would be suitable.