Data set GMTKN55_AHB21

Interaction energies in anion–neutral dimers

The data set contains 21 items.

Downloads

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.

References

1. K. U. Lao, R. Schäffer, G. Jansen, J. M. Herbert, J. Chem. Theory Comput., 2015, 11, 2473-2486.

Geometries

Reference energies

CCSD(T)-(F12)/CBS