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NBPRC results

Density functional: PW1PW

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.

-4.15 -2.47 -0.85 0.84 3.30 -1.71
# Systems Stoichiometry Ref. without D3(0)
1 BH3PH3 BH3 PH3 1 -1 -1 -25.2 -2.60 -3.32
2 K_H BH3PH3 H2 1 -1 -1 40.4 2.97 3.43
3 BF3PMe3 BF3 PMe3 1 -1 -1 -15.2 4.83 5.04
4 K_F BF3PMe3 H2 1 -1 -1 18.5 -1.03 -2.75
5 BCl3PMe3 BCl3 PMe3 1 -1 -1 -31.2 5.43 4.36
6 K_Cl BCl3PMe3 H2 1 -1 -1 17.6 0.84 -3.58
-4.82
-3.13
-2.68
-1.13
-0.92
-2.79
MD 0.45 -1.02
MAD 2.58 3.16
RMSD 3.01 3.39