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NBPRC results

Density functional: BMK

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.

-0.30 1.57 3.31 1.38 5.40 -0.51
# Systems Stoichiometry Ref. without D3(0) D3(BJ)
1 BH3PH3 BH3 PH3 1 -1 -1 -25.2 -1.13 -2.42 -2.21
2 K_H BH3PH3 H2 1 -1 -1 40.4 -0.06 0.78 0.56
3 BF3PMe3 BF3 PMe3 1 -1 -1 -15.2 1.14 1.52 1.48
4 K_F BF3PMe3 H2 1 -1 -1 18.5 0.11 -2.90 -2.54
5 BCl3PMe3 BCl3 PMe3 1 -1 -1 -31.2 0.18 -1.56 -3.03
6 K_Cl BCl3PMe3 H2 1 -1 -1 17.6 4.05 -3.40 -2.66
-1.43 -2.29
0.41 0.80
0.61 -0.32
-2.15 0.97
-1.52 -3.46
-2.34 1.16
MD 1.26 -1.20 -0.96
MAD 1.59 1.75 1.79
RMSD 2.31 1.96 2.05