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ALKBDE10 results

Density functional: M06

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)
1 bef be f -1 1 1 138.7 -0.12 -0.12
2 beo be o -1 1 1 106.6 2.98 2.98
3 cao ca o -1 1 1 96.2 5.45 5.45
4 hf h f -1 1 1 142.1 -1.51 -1.51
5 kf k f -1 1 1 117.5 4.94 4.94
6 lif li f -1 1 1 139.2 -1.88 -1.88
7 lio li o -1 1 1 82.5 1.28 1.28
8 mgo mg o -1 1 1 62.2 -9.99 -9.99
9 mgs mg s -1 1 1 56.7 -4.45 -4.45
10 nao na o -1 1 1 65.2 1.84 1.84
MD -0.15 -0.14
MAD 3.44 3.44
RMSD 4.40 4.40