Spectral generation from G09 D.01 anharmonic frequencies and their intensities jobs

ghutchis / avogadro

Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. It offers flexible rendering and a powerful plugin architecture.

http://avogadro.cc/

GNU General Public License v2.0

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Spectral generation from G09 D.01 anharmonic frequencies and their intensities jobs #1022

Closed ghutchis closed 8 years ago

ghutchis commented 11 years ago

I would greatly appreciate in future releases of Avogrado have the capability to parse anharmonic frequencies and their intensities (Gaussian G09 D.01 has the capability to generate anharmonic frequencies and their intensities...) thanks, alex

Reported by: *anonymous

ghutchis commented 11 years ago

This shouldn't be too hard, but I'd need some sample files. At the moment, I don't have a copy of G09 D.01.

Original comment by: @ghutchis