CCL:G: Field keyword: Gaussian 09

From: "Avik Sanyal" <avik.sanyal#%#aci.uni-heidelberg.de>
Subject: CCL:G: Field keyword: Gaussian 09
Date: Wed, 28 Mar 2012 07:12:33 -0400

 Sent to CCL by: "Avik  Sanyal" [avik.sanyal%a%aci.uni-heidelberg.de]
 Hello CCL-ers,
 I want to simulate an octahedral electric field of fixed strength around my
 molecule using Gaussian 09. I looked into the Gaussian manual and found that the
 'Field' keyword does the job.
 It states that the field can be given either as electric multipoles or Fermi
 contact term. For eg., Field=XXYZ-20 applies a hexadecapole field of -0.002au
 strength.
 I am unable to figure out how to specify an octahedral field (simulating the
 situation where a central atom is surrounded by six point charges in an
 octahedral geometry) in the above format. Any help will be appreciated.
 Thanks
 Avik Sanyal