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NBPRC results

Density functional: MPW1B95

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.

-2.94 -0.89 0.92 -0.33 4.83 -1.86
# Systems Stoichiometry Ref. without D3(0) D3(BJ)
1 BH3PH3 BH3 PH3 1 -1 -1 -25.2 -2.18 -2.85 -2.71
2 K_H BH3PH3 H2 1 -1 -1 40.4 1.46 1.90 1.77
3 BF3PMe3 BF3 PMe3 1 -1 -1 -15.2 2.24 2.44 2.41
4 K_F BF3PMe3 H2 1 -1 -1 18.5 -1.16 -2.76 -2.47
5 BCl3PMe3 BCl3 PMe3 1 -1 -1 -31.2 2.42 1.45 0.86
6 K_Cl BCl3PMe3 H2 1 -1 -1 17.6 2.82 -1.23 -0.60
-3.55 -3.87
-1.51 -1.31
-0.69 -0.95
-2.21 -0.62
0.98 0.36
-2.88 -1.23
MD 0.44 -0.91 -0.70
MAD 2.00 2.04 1.60
RMSD 2.31 2.21 1.90