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.

EXCITED

Targets the first excited singlet spin state within the HOMO-LUMO active space of an RHF calculation, which is a synonym for MS=0, OPEN(2,2), and ROOT=2. See the MS, OPEN, and ROOT keywords for more information.

This keyword will typically produce an open-shell singlet state unless the electronic ground state is a biradical, in which case the first excited state can have a closed shell.