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.

DIPOLE

In an `IRC <irc.html>`__ or  `DRC <drc0.html>`__ calculation, a trajectory will be generated where the heat of formation will be replaced by the dipole. This would result in two trajectories being created.

In an `ESP <esp.html>`__ calculation, DIPOLE will constrain the calculated charges to reproduce the Cartesian dipole moment components calculated from the density matrix and nuclear charges.