CSCD(T)/CBS interaction energies of halogenated molecules
The data set contains 40 items.
MP2/cc-pVTZ(-PP), intermolecular distance interpolated from CCSD(T)/CBS dissociation curve
Composite CCSD(T)/CBS, CP-corrected, Helgaker extrapolation, frozen core, pseudopotentials and the corresponding PP versions of the basis sets used for Br and I:
dMP2/aug-cc-pVTZ -> aug-cc-pVQZ
The data set is divided into following groups (by the type of the interaction):
The data set contains following sets of alternative reference values: