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NBPRC results

Density functional: B1P86

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.

-2.08 -1.61 1.19 1.65 5.58 -1.42
# Systems Stoichiometry Ref. without D3(0) D3(BJ)
1 BH3PH3 BH3 PH3 1 -1 -1 -25.2 -0.91 -1.82 -2.00
2 K_H BH3PH3 H2 1 -1 -1 40.4 1.62 2.19 2.29
3 BF3PMe3 BF3 PMe3 1 -1 -1 -15.2 3.60 3.89 4.00
4 K_F BF3PMe3 H2 1 -1 -1 18.5 1.15 -1.07 -1.39
5 BCl3PMe3 BCl3 PMe3 1 -1 -1 -31.2 5.18 3.67 2.60
6 K_Cl BCl3PMe3 H2 1 -1 -1 17.6 4.74 -1.15 -1.77
-2.99 -3.68
-2.32 -2.48
-1.54 -1.99
-0.36 0.92
-0.06 -1.61
-2.20 -0.82
MD 1.56 -0.31 -0.49
MAD 2.56 1.94 2.13
RMSD 3.04 2.25 2.32