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NBPRC results

Density functional: DSD-BLYP

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.

1.38 -0.25 1.65 0.32 3.94 -0.72
# Systems Stoichiometry Ref. without D3(0) D3(BJ)
1 BH3PH3 BH3 PH3 1 -1 -1 -25.2 1.82 1.40 1.17
2 K_H BH3PH3 H2 1 -1 -1 40.4 -0.83 -0.56 -0.47
3 BF3PMe3 BF3 PMe3 1 -1 -1 -15.2 -0.04 0.09 0.16
4 K_F BF3PMe3 H2 1 -1 -1 18.5 3.76 2.75 2.19
5 BCl3PMe3 BCl3 PMe3 1 -1 -1 -31.2 2.97 2.36 1.11
6 K_Cl BCl3PMe3 H2 1 -1 -1 17.6 7.12 4.57 3.45
0.99 0.10
-0.64 -0.59
0.65 -0.28
-0.86 0.23
1.53 -0.40
-1.35 0.39
MD 1.76 0.91 0.59
MAD 2.07 1.48 0.88
RMSD 2.86 1.89 1.30