GaussSum

GaussSum parses the output of ADF, GAMESS, GAMESS-UK, and Gaussian to extract useful information: progress of geometry optimisation, UV/IR/Raman spectra, MO contributions and more.

Features

Convolute UV-Vis spectrum
IR and Raman visualization

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dreamafox Posted 2013-06-07

Very useful. Thanks.

1 user found this review helpful.
dpas82 Posted 2012-10-22

Brilliant - simple and very useful (I can only attest to G03/G09). Does exactly what I need without any fuss.
johnnnybravo Posted 2012-03-21

Good work:)

Additional Project Details

Registered

2003-08-23

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