CCSD(T)/CBS interaction energies in organic noncovalent complexes - angular displacements
The data set contains 528 items.
Angular displaced geometries built from the S66 geometries
Composite CCSD(T)/CBS, CP-corrected, Helgaker extrapolation, frozen core:
dMP2/aug-cc-pVTZ -> aug-cc-pVQZ
The data set is divided into following groups (by the type of the interaction):