CCSD(T)/CBS interaction energies in organic noncovalent complexes - dissociation curves
The data set contains 528 items plottable as 66 curves.
The geometry files for this data set contain metadata including the reference values.
Dissocation curves constructed by scaling the intermolecular distance in MP2/cc-pVTZ geometry (point 1.00)
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):
The data set contains following sets of alternative reference values: