GMTKN24 - A database for general main group thermochemistry, kinetics, and non-covalent interactions

This web site is an overview of the GMTKN24 database, recently presented by
L. Goerigk and S. Grimme in J. Chem. Theory Comput. 2010, 6, 107-126.
Below, a list with links to all 24 subsets is shown. For each subset, the relevant reference values are given.
Furthermore, all necessary geometries (in TURBOMOLE format) are available for download (as zip files).
All results for all density functionals tested so far are also given.
This web site was last updated on 04/20/2010.

Subsets

• The MB08-165 subset
• The W4-08 and W4-08woMR subsets
• The G21IP subset
• The G21EA subset
• The PA subset
• The SIE11 subset
• The BHPERI subset
• The BH76 and BH76RC subsets
• The RSE43 subset
• The O3ADD6 subset
• The G2RC subset
• The AL2X subset
• The NBRC subset
• The ISO34 subset
• The DC9 subset
• The DARC subset
• The IDISP subset
• The WATER27 subset
• The S22 subset
• The PCONF subset
• The ACONF subset
• The SCONF subset
• The CYCONF subset

Weighted total mean absolute deviations

A list of weighted total mean absolute deviations (WTMADs) for a variety of density functionals can be found here.