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NBPRC results

Density functional: τHCTH

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.

1.27 -1.58 3.83 4.82 11.47 -0.79
# Systems Stoichiometry Ref. without D3(0) D3(BJ)
1 BH3PH3 BH3 PH3 1 -1 -1 -25.2 3.29 1.45 0.42
2 K_H BH3PH3 H2 1 -1 -1 40.4 -1.81 -0.58 -0.32
3 BF3PMe3 BF3 PMe3 1 -1 -1 -15.2 -0.41 0.19 0.38
4 K_F BF3PMe3 H2 1 -1 -1 18.5 7.78 3.81 0.91
5 BCl3PMe3 BCl3 PMe3 1 -1 -1 -31.2 7.74 5.67 -0.83
6 K_Cl BCl3PMe3 H2 1 -1 -1 17.6 17.64 8.04 2.47
-0.17 -5.07
-3.28 -2.46
0.69 -4.48
0.88 5.33
4.33 -6.35
-2.88 5.24
MD 4.44 1.51 -0.40
MAD 5.20 2.67 2.85
RMSD 7.19 3.57 3.61