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NBPRC results

Density functional: revTPSSh

Reference values and deviations (result - reference) of the respective functional
w/o dispersion correction, D3(0) dispersion correction, and D3(BJ) dispersion correction in kcal/mol.

-0.66 -3.27 1.33 0.69 6.31 -1.41
# Systems Stoichiometry Ref. without D3(0) D3(BJ)
1 BH3PH3 BH3 PH3 1 -1 -1 -25.2 -0.52 -1.34 -1.65
2 K_H BH3PH3 H2 1 -1 -1 40.4 -1.05 -0.52 -0.37
3 BF3PMe3 BF3 PMe3 1 -1 -1 -15.2 0.37 0.62 0.75
4 K_F BF3PMe3 H2 1 -1 -1 18.5 0.61 -1.39 -2.04
5 BCl3PMe3 BCl3 PMe3 1 -1 -1 -31.2 -1.27 -2.59 -4.13
6 K_Cl BCl3PMe3 H2 1 -1 -1 17.6 5.27 0.04 -1.29
-1.47 -2.49
-3.98 -4.08
-1.00 -1.91
-1.35 0.12
1.30 -1.23
-2.48 -0.30
MD 0.53 -1.18 -1.55
MAD 1.90 1.51 1.70
RMSD 2.68 1.82 2.13