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NBPRC results

Density functional: B97-1

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.

-0.78 -1.59 1.74 1.85 6.22 -1.56
# Systems Stoichiometry Ref. without D3(0) D3(BJ)
1 BH3PH3 BH3 PH3 1 -1 -1 -25.2 0.26 -0.72 -0.88
2 K_H BH3PH3 H2 1 -1 -1 40.4 0.65 1.29 1.27
3 BF3PMe3 BF3 PMe3 1 -1 -1 -15.2 2.59 2.88 2.93
4 K_F BF3PMe3 H2 1 -1 -1 18.5 3.10 0.82 0.35
5 BCl3PMe3 BCl3 PMe3 1 -1 -1 -31.2 6.36 5.05 3.00
6 K_Cl BCl3PMe3 H2 1 -1 -1 17.6 7.91 2.31 1.32
-1.64 -3.04
-2.47 -2.22
-0.24 -1.81
-0.80 1.70
1.02 -1.96
-2.90 0.51
MD 2.23 0.38 0.10
MAD 2.89 1.85 1.75
RMSD 3.77 2.25 1.96