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NBPRC results

Density functional: M11L

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.

4.68 -1.13 7.14 1.34 6.97 -2.79
# Systems Stoichiometry Ref. without D3(0)
1 BH3PH3 BH3 PH3 1 -1 -1 -25.2 5.87 5.21
2 K_H BH3PH3 H2 1 -1 -1 40.4 -1.57 -1.14
3 BF3PMe3 BF3 PMe3 1 -1 -1 -15.2 1.14 1.34
4 K_F BF3PMe3 H2 1 -1 -1 18.5 8.10 6.55
5 BCl3PMe3 BCl3 PMe3 1 -1 -1 -31.2 2.61 1.73
6 K_Cl BCl3PMe3 H2 1 -1 -1 17.6 14.73 10.93
4.10
-1.73
5.78
-0.47
3.45
-3.71
MD 3.92 2.67
MAD 4.84 3.84
RMSD 6.19 4.78