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RC21 results

Density functional: OLYP

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) D3(BJ)
1 1e 1p1 me -1 1 1 23.43 0.99 8.06 10.04
2 1e 1p2 1p3 -1 1 1 26.66 -0.49 7.94 9.92
3 2e 2p1 me -1 1 1 24.74 5.25 10.28 11.77
4 2e 2p2 2p3 -1 1 1 59.44 1.71 7.39 8.51
5 3e 3p1 3p2 -1 1 1 57.93 0.39 1.70 2.12
6 3e 3int1 -1 1 36.56 -1.39 -2.40 -2.11
7 3e 3int2 -1 1 17.91 -1.05 -3.14 -1.85
8 3e 3int3 -1 1 16.80 -3.68 -4.43 -3.38
9 3e 3p2 3p3 -1 1 1 49.85 -0.81 0.11 1.13
10 4e 4p me -1 1 1 45.16 -1.80 4.32 6.06
11 5e 5p me -1 1 1 22.24 -2.53 4.50 4.82
12 6e 6int -1 1 -6.72 7.77 6.86 5.12
13 6e 6p1 ethylene -1 1 1 21.21 -1.20 6.92 8.10
14 6e 6p3 me -1 1 1 22.03 1.73 8.32 10.25
15 6e 1p2 pr -1 1 1 28.12 0.89 9.27 11.14
16 7e 7p1 7p2 -1 1 1 -0.73 2.48 7.65 9.21
17 7e 7p3 7p4 -1 1 1 50.66 -2.14 5.30 8.10
18 7e 7p5 7p6 -1 1 1 30.38 6.31 10.26 11.97
19 8e 8p1 ethylene -1 1 1 49.73 -9.87 -0.22 4.20
20 9e 9p1 9p2 -1 1 1 32.81 -1.23 3.81 8.26
21 10e 10p1 10p2 -1 1 1 126.56 -5.81 -0.27 8.11
MD -0.21 4.39 6.26
MAD 2.83 5.39 6.96
RMSD 3.83 6.26 7.75