(28Jun07) GaussSum 2.0 is no longer supported. Please use the latest version of GaussSum instead, GaussSum 2.1

GaussSum is a GUI application that can analyse the output of ADF, GAMESS (US), GAMESS-UK, Gaussian, and PC GAMESS to extract and calculate useful information. This includes the progress of the SCF cycles, geometry optimisation, UV-Vis/IR/Raman spectra, MO levels, MO contributions and more. [Full description]

GaussSum is written by Noel O'Boyle, and grew from work he carried out during his PhD in Prof. Han Vos' research group at Dublin City University, Ireland. It is available for free under the GNU General Public License (GPL). If you use GaussSum to obtain results for publication, please use this citation.

If you have any problems or questions or want to be informed of new releases, send an email to me at baoilleach@users.sourceforge.net or to the mailing list at gausssum-help@lists.sourceforge.net.

Details on the previous version of GaussSum, 1.0, are available here. Another program with some similar functionality to GaussSum is PyMOlyze. If you are interested in parsing output files in your own programs, or implementing computational chemistry algorithms, check out cclib.

GaussSum is hosted by the fantastic web-resource for opensource programs and programmers at SourceForge. The GaussSum project page can be found here.