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NBPRC results

Density functional: SCAN

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.

-5.84 -3.27 -3.02 0.03 0.44 -0.94
# Systems Stoichiometry Ref. without D3(0) D3(BJ)
1 BH3PH3 BH3 PH3 1 -1 -1 -25.2 -3.62 -3.70 -3.89
2 K_H BH3PH3 H2 1 -1 -1 40.4 1.84 1.87 2.02
3 BF3PMe3 BF3 PMe3 1 -1 -1 -15.2 2.94 2.96 3.04
4 K_F BF3PMe3 H2 1 -1 -1 18.5 -1.06 -1.32 -1.68
5 BCl3PMe3 BCl3 PMe3 1 -1 -1 -31.2 -0.24 -0.57 -0.79
6 K_Cl BCl3PMe3 H2 1 -1 -1 17.6 -1.28 -2.24 -2.92
-5.99 -6.18
-3.32 -3.50
-3.82 -3.79
0.02 -0.22
-0.61 -1.11
-0.99 -0.98
MD -1.17 -1.48 -1.67
MAD 2.04 2.28 2.51
RMSD 2.63 2.83 2.99