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NBPRC results

Density functional: PW6B95

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.

-1.58 -0.85 1.54 -0.79 6.14 -2.40
# Systems Stoichiometry Ref. without D3(0) D3(BJ)
1 BH3PH3 BH3 PH3 1 -1 -1 -25.2 -0.97 -1.50 -1.45
2 K_H BH3PH3 H2 1 -1 -1 40.4 0.37 0.71 0.65
3 BF3PMe3 BF3 PMe3 1 -1 -1 -15.2 1.19 1.34 1.35
4 K_F BF3PMe3 H2 1 -1 -1 18.5 1.07 -0.21 -0.10
5 BCl3PMe3 BCl3 PMe3 1 -1 -1 -31.2 3.17 2.36 1.81
6 K_Cl BCl3PMe3 H2 1 -1 -1 17.6 6.23 2.95 3.17
-2.07 -2.39
-1.34 -1.23
0.14 -0.10
-2.25 -1.07
2.97 2.30
-3.22 -1.92
MD 1.09 -0.01 0.08
MAD 2.19 1.76 1.46
RMSD 2.92 2.03 1.71