From owner-chemistry@ccl.net Sun Apr 26 13:24:01 2009
From: "Jim Kress ccl_nospam%kressworks.com" <owner-chemistry-#-server.ccl.net>
To: CCL
Subject: CCL: dimensionless normal coordinates
Message-Id: <-39168-090426132207-2550-PiUtB0nmu9GwcB6mPcZufw-#-server.ccl.net>
X-Original-From: "Jim  Kress" <ccl_nospam[*]kressworks.com>
Date: Sun, 26 Apr 2009 13:22:03 -0400


Sent to CCL by: "Jim  Kress" [ccl_nospam++kressworks.com]
Would anyone please point me to a reference (or provide me with a methodology, algorithm, or explanation) on how to calculate dimensionless normal coordinates given that I have the molecular hessian, force constant matrix and the vibrational frequencies for two states of a molecule?

Thanks.

Jim