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Material Measurement Laboratory / Chemical Sciences Division

Chemical Informatics Group

Thermodynamics Functions from Gaussian Output Files

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Thermodynamics functions from Gaussian output files

To learn what this program is doing, please refer to the documentation for the stand-alone Perl script 'thermo.pl'.

Please select a file to upload, either a Gaussian output file or a data file tailored for this script:

Optional parameters:

Scaling factor for vibrational frequencies
Special temperature to include in output table

 
Chemistry

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Created January 12, 2010, Updated November 15, 2019