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NBPRC results

Density functional: B2GPPLYP

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.

1.14 -0.44 1.48 -0.04 4.08 -1.19
# Systems Stoichiometry Ref. without D3(0) D3(BJ)
1 BH3PH3 BH3 PH3 1 -1 -1 -25.2 1.56 1.10 0.98
2 K_H BH3PH3 H2 1 -1 -1 40.4 -0.62 -0.32 -0.30
3 BF3PMe3 BF3 PMe3 1 -1 -1 -15.2 0.60 0.74 0.77
4 K_F BF3PMe3 H2 1 -1 -1 18.5 3.73 2.65 2.33
5 BCl3PMe3 BCl3 PMe3 1 -1 -1 -31.2 3.18 2.53 1.47
6 K_Cl BCl3PMe3 H2 1 -1 -1 17.6 7.06 4.32 3.68
0.73 0.01
-0.85 -0.77
0.41 -0.35
-1.30 -0.13
1.49 -0.18
-1.87 -0.14
MD 1.71 0.80 0.61
MAD 2.09 1.52 0.93
RMSD 2.87 1.89 1.40