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NBPRC results

Density functional: M08HX

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.

1.21 -2.95 0.80 -3.29 1.65 -2.68
# Systems Stoichiometry Ref. without D3(0)
1 BH3PH3 BH3 PH3 1 -1 -1 -25.2 0.75 0.74
2 K_H BH3PH3 H2 1 -1 -1 40.4 0.61 0.61
3 BF3PMe3 BF3 PMe3 1 -1 -1 -15.2 3.91 3.91
4 K_F BF3PMe3 H2 1 -1 -1 18.5 1.20 1.16
5 BCl3PMe3 BCl3 PMe3 1 -1 -1 -31.2 2.59 2.52
6 K_Cl BCl3PMe3 H2 1 -1 -1 17.6 1.90 1.69
1.19
-2.98
0.57
-3.35
1.37
-2.78
MD 0.48 0.39
MAD 1.96 1.90
RMSD 2.23 2.20