Data set GMTKN_S22

binding energies of noncovalently bound dimers

The data set contains 22 items.

References

  1. Jurečka, P.; Šponer, J.; Černý, J.; Hobza, P. Phys. Chem. Chem. Phys. 2006, 8, 1985-1993.
  2. Takatani, T.; Hohenstein, E. G.; Malagoli, M.; Marshall, M. S.; Sherrill, C. D. J. Chem. Phys. 2010, 132, 144104.

Reference energies

CCSD(T)/CBS

Notes

The default reference energies are the updated values from Takatani et al. 2010