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ICONF results

Density functional: M062X

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 N3H5_1 N3H5_2 -1 1 0.90 0.04 0.04
2 N3H5_1 N3H5_3 -1 1 5.29 -0.13 -0.14
3 N4H6_1 N4H6_2 -1 1 0.13 0.74 0.73
4 N4H6_1 N4H6_3 -1 1 2.33 0.79 0.78
5 N3P3H12_1 N3P3H12_2 -1 1 12.16 0.54 0.53
6 SI5H12_1 SI5H12_2 -1 1 0.10 0.02 0.03
7 SI5H12_1 SI5H12_3 -1 1 1.03 -0.18 -0.17
8 SI5H12_1 SI5H12_4 -1 1 3.51 -0.24 -0.26
9 SI6H12_1 SI6H12_2 -1 1 1.69 -0.25 -0.25
10 P7H7_1 P7H7_2 -1 1 1.40 0.21 0.21
11 S4O4_1 S4O4_2 -1 1 4.39 -1.05 -1.04
12 S8_1 S8_2 -1 1 9.16 -0.44 -0.43
13 H2S2O7_1 H2S2O7_2 -1 1 0.55 0.10 0.10
14 H2S2O7_1 H2S2O7_3 -1 1 3.55 0.22 0.21
15 H4P2O7_1 H4P2O7_2 -1 1 1.33 -0.14 -0.13
16 H4P2O7_1 H4P2O7_3 -1 1 3.66 -0.32 -0.32
17 H4P2O7_1 H4P2O7_4 -1 1 4.35 -0.10 -0.12
MD -0.01 -0.01
MAD 0.32 0.32
RMSD 0.43 0.43