.. _DIPOLE:

``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.