From owner-chemistry@ccl.net Thu Mar 12 02:27:01 2009 From: "Chris Dickson c.n.dickson*sms.ed.ac.uk" To: CCL Subject: CCL:G: IR spectra from Gaussian Message-Id: <-38812-090312003509-26428-TFXcGQDoGHLjx97uZBHcPg]*[server.ccl.net> X-Original-From: Chris Dickson Content-Transfer-Encoding: quoted-printable Content-Type: text/plain; charset=utf-8 Date: Thu, 12 Mar 2009 03:34:55 +0000 (GMT) MIME-Version: 1.0 Sent to CCL by: Chris Dickson [c.n.dickson]_[sms.ed.ac.uk] Hi all,=0A=0ACan anyone help me find a simple script/program to extract IR = data from a Gaussian03 output file, broaden the peaks, and output a set of = xy data?=0A=0AThanks in advance,=0AChris Dickson=0A