Data set L7
CCSD(T) or QCISD(T) interaction energies in large noncovalent complexes
The data set contains 7 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.
Sedlak, R.; Janowski, T.; Pitoňák, M.; Řezáč, J.; Pulay, P.; Hobza, P. J. Chem. Theory Comput. 2013, 9, 3364–3374.
CSD(T) or QCISD(T), composite extrapolation (from basis set of limited size)
The data set is divided into following groups (by the type of the interaction):
Alternative reference data
The data set contains following sets of alternative reference values: