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ALKBDE10 results

Density functional: HISS

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) D3(BJ)
1 bef be f -1 1 1 138.7 3.87 3.87 4.03
2 beo be o -1 1 1 106.6 -3.72 -3.72 -3.46
3 cao ca o -1 1 1 96.2 -0.34 -0.34 0.66
4 hf h f -1 1 1 142.1 -5.18 -5.18 -5.15
5 kf k f -1 1 1 117.5 -3.61 -3.56 -3.21
6 lif li f -1 1 1 139.2 -6.34 -6.34 -6.20
7 lio li o -1 1 1 82.5 -2.66 -2.66 -2.43
8 mgo mg o -1 1 1 62.2 -18.70 -18.69 -18.18
9 mgs mg s -1 1 1 56.7 -10.06 -10.05 -7.54
10 nao na o -1 1 1 65.2 -6.72 -6.70 -6.33
MD -5.35 -5.34 -4.78
MAD 6.12 6.11 5.72
RMSD 7.82 7.82 7.33