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NBPRC results

Density functional: M08HX

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.

# Systems Stoichiometry Ref. without D3(0)
1 nh3 bh3 nh3-bh3 -1 -1 1 -32.1 0.75 0.74
2 nh3-bh3 nh2-bh2 h2 -1 1 1 -0.2 0.61 0.61
3 nh2-bh2 nh-bh h2 -1 1 1 37.6 3.91 3.91
4 nh2-bh2 cbut -2 1 -19.5 1.20 1.16
5 nh2-bh2 bz h2 -3 1 3 -48.9 2.59 2.52
6 nh2-bh2 ch -3 1 -46.1 1.90 1.69
7 BH3PH3 BH3 PH3 1 -1 -1 -25.2 1.21 1.19
8 K_H BH3PH3 H2 1 -1 -1 40.4 -2.95 -2.98
9 BF3PMe3 BF3 PMe3 1 -1 -1 -15.2 0.80 0.57
10 K_F BF3PMe3 H2 1 -1 -1 18.5 -3.29 -3.35
11 BCl3PMe3 BCl3 PMe3 1 -1 -1 -31.2 1.65 1.37
12 K_Cl BCl3PMe3 H2 1 -1 -1 17.6 -2.68 -2.78
MD 0.48 0.39
MAD 1.96 1.90
RMSD 2.23 2.20