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RC21 results

Density functional: M052X

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 1e 1p1 me -1 1 1 23.43 3.70 3.89
2 1e 1p2 1p3 -1 1 1 26.66 3.37 3.62
3 2e 2p1 me -1 1 1 24.74 2.80 3.00
4 2e 2p2 2p3 -1 1 1 59.44 -3.13 -2.80
5 3e 3p1 3p2 -1 1 1 57.93 2.68 2.74
6 3e 3int1 -1 1 36.56 1.93 1.95
7 3e 3int2 -1 1 17.91 -0.74 -0.72
8 3e 3int3 -1 1 16.80 0.59 0.56
9 3e 3p2 3p3 -1 1 1 49.85 3.49 3.52
10 4e 4p me -1 1 1 45.16 4.76 4.91
11 5e 5p me -1 1 1 22.24 3.35 3.51
12 6e 6int -1 1 -6.72 -2.00 -2.04
13 6e 6p1 ethylene -1 1 1 21.21 -1.84 -1.57
14 6e 6p3 me -1 1 1 22.03 3.50 3.71
15 6e 1p2 pr -1 1 1 28.12 3.40 3.71
16 7e 7p1 7p2 -1 1 1 -0.73 1.28 1.46
17 7e 7p3 7p4 -1 1 1 50.66 0.89 1.13
18 7e 7p5 7p6 -1 1 1 30.38 3.08 3.23
19 8e 8p1 ethylene -1 1 1 49.73 1.18 1.46
20 9e 9p1 9p2 -1 1 1 32.81 2.32 2.52
21 10e 10p1 10p2 -1 1 1 126.56 4.72 4.82
MD 1.87 2.03
MAD 2.61 2.71
RMSD 2.87 2.97