Data set GMTKN55_AL2X6

Dimerisation energies of AlX3 compounds

The data set contains 6 items.


Here you can download the data set definition file (in YAML format), an archive of the geometries and a dictionary file assigning the system names to the geometry file.


  1. Goerigk, L.; Hansen, A.; Bauer, C.; Ehrlich, S.; Najibi, A.; Grimme, S. Phys. Chem. Chem. Phys. 2017, 19 (48), 32184–32215.


back-corrected experimental data

Reference energies

W2-F12, except Al2(CH3)6: W1-F12