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NBPRC results

Density functional: B3LYP-NL

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.

-0.21 -1.62 -1.04 -0.23 2.47 -1.34
# Systems Stoichiometry Ref. VV10
1 BH3PH3 BH3 PH3 1 -1 -1 -25.2 0.30
2 K_H BH3PH3 H2 1 -1 -1 40.4 -0.58
3 BF3PMe3 BF3 PMe3 1 -1 -1 -15.2 1.19
4 K_F BF3PMe3 H2 1 -1 -1 18.5 3.52
5 BCl3PMe3 BCl3 PMe3 1 -1 -1 -31.2 2.25
6 K_Cl BCl3PMe3 H2 1 -1 -1 17.6 5.71
MD 0.87
MAD 1.71
RMSD 2.30