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Gaussian Output Plotter

A script that takes a directory of Gaussian output files for a triatomic, plots its energy surface and determines its v_1 and v_2 frequencies

Input format

The first line should contain the directory where the Gaussian output files are located. Running this program will also create a .csv file in the directory with the r, theta and energy values obtained from parsing the output files.

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A script that takes a directory of Gaussian output files for a triatomic, plots its energy surface and determines its v_1 and v_2 frequencies

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