EMSL/PNNL Basis Set Exchange Archive

This data reflects the output of the PNNL/EMSL Basis Set Exchange collected in the summer of 2018. The output was collected via script, and contains all basis set and format combinations. In this dataset are archives representing all the available output formats. Within those archives are all the basis sets found on the BSE website. tar.bz2 files are meant to be use with Linux and have Unix line endings. Zip files are meant for Windows and have the appropriate line endings for Windows. Archives with the suffix .min_gen contain the output of the BSE when the Optimize General Contractions button is checked. If the output when using Optimize General Contractions was the same as with the button not checked, the output file not kept. Instead, use the file from the archive without the .min_gen suffix. For more information about the new basis set exchange, visit the new website: https://www.basissetexchange.org For questions/comments/issues, email [e-mail]