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NBPRC results

Density functional: B1B95

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.

-1.97 0.09 2.41 1.39 7.16 -0.67
# Systems Stoichiometry Ref. without D3(0) D3(BJ)
1 BH3PH3 BH3 PH3 1 -1 -1 -25.2 -0.86 -1.97 -2.08
2 K_H BH3PH3 H2 1 -1 -1 40.4 0.13 0.86 0.84
3 BF3PMe3 BF3 PMe3 1 -1 -1 -15.2 0.42 0.75 0.82
4 K_F BF3PMe3 H2 1 -1 -1 18.5 0.88 -1.76 -2.04
5 BCl3PMe3 BCl3 PMe3 1 -1 -1 -31.2 2.46 0.90 -0.84
6 K_Cl BCl3PMe3 H2 1 -1 -1 17.6 7.12 0.52 -0.06
-2.97 -4.09
-0.93 -0.76
-0.10 -1.25
-1.69 0.88
0.96 -1.47
-2.30 0.87
MD 1.55 -0.64 -0.76
MAD 2.13 1.31 1.33
RMSD 3.19 1.53 1.66