From owner-chemistry@ccl.net Wed Dec 26 06:53:01 2018
From: "anuj tripathi tranuj{:}gmail.com" <owner-chemistry{:}server.ccl.net>
To: CCL
Subject: CCL:G: Related Hyperpolazability
Message-Id: <-53575-181226063932-19921-M1SbMY3G9CwDDKHeVhpJ8A{:}server.ccl.net>
X-Original-From: "anuj   tripathi" <tranuj---gmail.com>
Date: Wed, 26 Dec 2018 06:39:30 -0500


Sent to CCL by: "anuj   tripathi" [tranuj,,gmail.com]
Sir
I am dealing with the calculation of third order hyperpolarizability using 
Gaussian Software. Now I am facing problem in conversion of Debye-Ang**3 to 
atomic unit (au), please suggest the factor needed to accomplish the task.

Also guide me the proper keywords used to calculate Gamma(i.e. third order 
hyperpolarizability) for an organic molecule and how to analyze the output 
file.
 
Further is there any relation between parallel and perpendicular 
hyperpolazibility?

thanks