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NBPRC results

Density functional: SOGGA11X

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.

-0.84 -0.70 0.71 -0.10 4.72 -2.21
# Systems Stoichiometry Ref. without D3(BJ)
1 BH3PH3 BH3 PH3 1 -1 -1 -25.2 0.81 -0.49
2 K_H BH3PH3 H2 1 -1 -1 40.4 1.71 2.45
3 BF3PMe3 BF3 PMe3 1 -1 -1 -15.2 4.88 5.29
4 K_F BF3PMe3 H2 1 -1 -1 18.5 1.65 -1.47
5 BCl3PMe3 BCl3 PMe3 1 -1 -1 -31.2 7.15 3.49
6 K_Cl BCl3PMe3 H2 1 -1 -1 17.6 5.33 -2.24
-3.23
-1.54
-3.23
-0.49
-4.57
-0.22
MD 1.92 -0.52
MAD 2.57 2.39
RMSD 3.40 2.86