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NBPRC results

Density functional: M11

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.

1.95 -2.25 1.50 -4.62 2.49 -3.60
# Systems Stoichiometry Ref. without D3(BJ)
1 BH3PH3 BH3 PH3 1 -1 -1 -25.2 1.53 1.44
2 K_H BH3PH3 H2 1 -1 -1 40.4 0.57 0.62
3 BF3PMe3 BF3 PMe3 1 -1 -1 -15.2 2.52 2.55
4 K_F BF3PMe3 H2 1 -1 -1 18.5 3.21 2.98
5 BCl3PMe3 BCl3 PMe3 1 -1 -1 -31.2 6.05 5.69
6 K_Cl BCl3PMe3 H2 1 -1 -1 17.6 6.06 5.37
1.75
-2.33
1.03
-4.71
1.14
-3.51
MD 1.28 1.00
MAD 3.03 2.76
RMSD 3.47 3.22