From owner-chemistry@ccl.net Fri Sep 22 18:57:01 2017
From: "Alex Frenkel frenklah_._post.bgu.ac.il" <owner-chemistry(!)server.ccl.net>
To: CCL
Subject: CCL: Excited vibration
Message-Id: <-53014-170922184947-13899-EEHYao/OGjctcXuO9i3fkQ(!)server.ccl.net>
X-Original-From: "Alex  Frenkel" <frenklah|,|post.bgu.ac.il>
Date: Fri, 22 Sep 2017 18:49:41 -0400


Sent to CCL by: "Alex  Frenkel" [frenklah%post.bgu.ac.il]
Dear all,
I was wondering how can one calculate using DFT the change in dipole moment 
as a consequence of IR perturbation.
Thank you kindly,
Alex