Data set Sulfur_x8

CCSD(T)/CBS interaction energies in complexes featuring sulfur

The data set contains 112 items plottable as 14 curves.

References

  1. B. J. Mintz and J. M. Parks; J. Phys. Chem. A, 2012, 116 (3), pp 1086–1092

Reference energies

Composite CCSD(T)/CBS, CP-corrected, Helgaker extrapolation, frozen core:
HF/aug-cc-pVQZ
dMP2/aug-cc-pVTZ -> aug-cc-pVQZ
dCCSD(T)/aug-cc-pVTZ

Groups

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: