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NBPRC results

Density functional: ωB97X-V

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.

-0.92 -0.95 -2.74 -0.35 -0.56 -1.05
# Systems Stoichiometry Ref. ωB97X-V
1 BH3PH3 BH3 PH3 1 -1 -1 -25.2 0.16
2 K_H BH3PH3 H2 1 -1 -1 40.4 1.34
3 BF3PMe3 BF3 PMe3 1 -1 -1 -15.2 3.71
4 K_F BF3PMe3 H2 1 -1 -1 18.5 -0.43
5 BCl3PMe3 BCl3 PMe3 1 -1 -1 -31.2 4.17
6 K_Cl BCl3PMe3 H2 1 -1 -1 17.6 0.73
MD 0.26
MAD 1.43
RMSD 1.92