Argo: a data analysis program for quantum chemical calculations.

The ARGO program is designed for the analysis and display of results obtained from quantum chemical calculations. ARGO currently extracts values of geometrical parameters and energy of each conformer obtained from potential energy surface (PES) scans. It automatically arranges the data into columns and prepares input files for the Gnuplot graphing utility for two- and three-dimensional PES graphs. In addition, it transforms Raman activities into Raman intensities and calculates the IR or Raman intensity ratios. This software, which was written in Python, is freely available, open-source, easy to modify, and pleasant to use. Extensive documentation is also provided with examples and suggestions for code modifications. We plan to create a collaborative program package aimed at delivering endless variety and possibilities for fast and accurate data analysis of quantum chemical calculations.