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NBPRC results

Density functional: MN12L

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.

0.56 -4.19 5.18 -1.97 4.67 -3.36
# Systems Stoichiometry Ref. without D3(BJ)
1 BH3PH3 BH3 PH3 1 -1 -1 -25.2 -0.73 -0.88
2 K_H BH3PH3 H2 1 -1 -1 40.4 -0.23 -0.14
3 BF3PMe3 BF3 PMe3 1 -1 -1 -15.2 2.58 2.62
4 K_F BF3PMe3 H2 1 -1 -1 18.5 -0.17 -0.60
5 BCl3PMe3 BCl3 PMe3 1 -1 -1 -31.2 -5.63 -6.28
6 K_Cl BCl3PMe3 H2 1 -1 -1 17.6 2.42 1.19
0.21
-4.33
4.36
-2.09
2.38
-3.08
MD -0.07 -0.55
MAD 2.64 2.35
RMSD 3.25 2.98