CCSD(T)/CBS three-body energies in 23x3 trimers
The data set contains 69 items.
Crystals from the Cambridge database, reoptimized with B3-LYP-D* with fixed lattice parameters
CCSD(T)/CBS, CP-corrected, frozen core, Helgaker extrapolation:
HF/aug-cc-pVQZ + dMP2/aug-cc-pV(T->Q)Z + dCCSD(T)/aug-cc-pVDZ
The data set is divided into following groups (by the contribution of dispersion (Low/Medium/High)):
The data set contains following sets of alternative reference values: