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NBPRC results

Density functional: BP86

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.

-2.53 -1.38 2.20 3.60 8.82 0.24
# Systems Stoichiometry Ref. without D3(0) D3(BJ)
1 BH3PH3 BH3 PH3 1 -1 -1 -25.2 -0.36 -1.70 -2.01
2 K_H BH3PH3 H2 1 -1 -1 40.4 -0.22 0.63 0.79
3 BF3PMe3 BF3 PMe3 1 -1 -1 -15.2 -0.50 -0.08 0.09
4 K_F BF3PMe3 H2 1 -1 -1 18.5 4.23 1.01 0.43
5 BCl3PMe3 BCl3 PMe3 1 -1 -1 -31.2 5.25 3.21 1.36
6 K_Cl BCl3PMe3 H2 1 -1 -1 17.6 10.63 2.28 1.22
-3.80 -5.02
-2.46 -2.62
-1.38 -2.30
0.47 2.64
0.92 -1.56
-0.97 1.46
MD 2.50 -0.16 -0.46
MAD 3.33 1.58 1.79
RMSD 4.68 1.92 2.18