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NBPRC results

Density functional: MN15

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.

-2.38 -2.47 0.94 -2.08 2.66 -2.37
# Systems Stoichiometry Ref. without D3(BJ)
1 BH3PH3 BH3 PH3 1 -1 -1 -25.2 -2.92 -2.92
2 K_H BH3PH3 H2 1 -1 -1 40.4 -0.21 -0.21
3 BF3PMe3 BF3 PMe3 1 -1 -1 -15.2 -0.28 -0.28
4 K_F BF3PMe3 H2 1 -1 -1 18.5 -1.73 -1.73
5 BCl3PMe3 BCl3 PMe3 1 -1 -1 -31.2 -3.29 -3.29
6 K_Cl BCl3PMe3 H2 1 -1 -1 17.6 0.01 -0.01
-2.39
-2.47
0.93
-2.08
2.64
-2.37
MD -1.18 -1.18
MAD 1.78 1.78
RMSD 2.08 2.08