CCL:G: IR spectra from Gaussian



 Sent to CCL by: Daniil Bratashov [dn2010{}gmail.com]
 On Thu, 12 Mar 2009 03:34:55 +0000 (GMT)
 "Chris Dickson c.n.dickson*sms.ed.ac.uk"
 <owner-chemistry:ccl.net>
 wrote:
 > Can 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?
 gausssum: http://gausssum.sourceforge.net/
 windows version has a hidden error in config, simply delete library.zip
 (or something like .zip file name) from path to gnuplot.
 WBR, Daniil Bratashov.