Canonical and DLPNO-Based Composite Wavefunction Methods Parametrized against Large and Chemically Diverse Training Sets. 2: Correlation-Consistent Basis Sets, Core-Valence Correlation, and F12 Alternatives.

(These latter calculations are computationally feasible for DLPNO-CCSD(T)/def2-QZVPP but proved too demanding for canonical CCSD(T) even with the smaller def2-TZVPP basis set.) Once again, the improvement for W4-11 only contributes −0.022 kcal/mol to the change in WTMAD2, but an improvement of RMSD from 2.9 to 0.9 kcal/mol is most definitely significant for small-molecule thermochemistry.

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