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(24Oct06) GaussSum 1.0 is no longer supported. Please use the latest version of GaussSum instead, GaussSum 2.0.

GaussSum is a collection of scripts which parse the output of Gaussian 03, Gaussian 98 or GAMESS calculations 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, a former member of 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 added to the mailing list for new releases, send me an email at

GaussSum is hosted by the fantastic web-resource for opensource programs and programmers at SourceForge. Logo