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NBPRC results

Density functional: O3LYP

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.

-4.58 -1.71 0.07 2.83 6.53 -0.05
# Systems Stoichiometry Ref. without D3(0) D3(BJ)
1 BH3PH3 BH3 PH3 1 -1 -1 -25.2 -2.79 -3.90 -4.24
2 K_H BH3PH3 H2 1 -1 -1 40.4 2.05 2.77 2.84
3 BF3PMe3 BF3 PMe3 1 -1 -1 -15.2 3.09 3.42 3.51
4 K_F BF3PMe3 H2 1 -1 -1 18.5 -0.04 -2.70 -3.62
5 BCl3PMe3 BCl3 PMe3 1 -1 -1 -31.2 4.72 3.07 0.19
6 K_Cl BCl3PMe3 H2 1 -1 -1 17.6 3.92 -2.86 -4.85
-5.61 -7.52
-2.72 -2.60
-2.69 -4.78
-0.14 2.60
0.08 -5.34
-1.62 2.92
MD 1.17 -1.07 -1.74
MAD 2.70 2.63 3.75
RMSD 3.34 3.00 4.13