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ALK8 results

Density functional: M06L

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 li8 li2 -1 4 86.47 4.74 4.77
2 na8 na2 -1 4 53.15 16.42 16.51
3 li4_me4 li_me -1 4 131.13 -2.22 -1.80
4 li3_me li_me li2 -1 1 1 34.51 -1.52 -1.50
5 li2_ch4 li_me li_h -1 1 1 47.42 -0.69 -0.67
6 li5_ch li4_c li_h -1 1 1 66.28 -2.06 -2.06
7 li2_ch2n_2 li_ch2n -1 2 56.55 -0.34 -0.22
8 na+ li_na_h2 li+ na2_h2 -1 -1 1 1 25.30 2.09 2.08
MD 2.05 2.14
MAD 3.76 3.70
RMSD 6.21 6.23