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.
- Convolute UV-Vis spectrum
- IR and Raman visualization
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Very useful. Thanks.
very good project, thanks!
Brilliant - simple and very useful (I can only attest to G03/G09). Does exactly what I need without any fuss.