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ALK8 results

Density functional: MN12L

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(BJ)
1 li8 li2 -1 4 86.47 -38.86 -34.15
2 na8 na2 -1 4 53.15 -3.13 9.62
3 li4_me4 li_me -1 4 131.13 -3.08 1.02
4 li3_me li_me li2 -1 1 1 34.51 8.26 9.00
5 li2_ch4 li_me li_h -1 1 1 47.42 -2.38 -1.90
6 li5_ch li4_c li_h -1 1 1 66.28 12.31 13.51
7 li2_ch2n_2 li_ch2n -1 2 56.55 0.70 1.81
8 na+ li_na_h2 li+ na2_h2 -1 -1 1 1 25.30 0.64 0.21
MD -3.19 -0.11
MAD 8.67 8.90
RMSD 14.82 13.83