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RC21 results

Density functional: B97-2

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 3.98 7.07 8.57
2 1e 1p2 1p3 -1 1 1 26.66 2.40 6.36 7.92
3 2e 2p1 me -1 1 1 24.74 6.07 7.99 9.07
4 2e 2p2 2p3 -1 1 1 59.44 -2.44 0.18 1.11
5 3e 3p1 3p2 -1 1 1 57.93 -0.21 0.25 0.13
6 3e 3int1 -1 1 36.56 0.57 -0.13 0.42
7 3e 3int2 -1 1 17.91 -1.04 -1.66 -1.26
8 3e 3int3 -1 1 16.80 -2.34 -2.77 -1.66
9 3e 3p2 3p3 -1 1 1 49.85 -1.21 -0.93 -0.38
10 4e 4p me -1 1 1 45.16 2.03 4.60 5.91
11 5e 5p me -1 1 1 22.24 0.77 3.76 4.29
12 6e 6int -1 1 -6.72 2.93 2.83 1.51
13 6e 6p1 ethylene -1 1 1 21.21 -0.15 3.66 4.46
14 6e 6p3 me -1 1 1 22.03 3.96 6.85 8.25
15 6e 1p2 pr -1 1 1 28.12 2.71 6.69 8.13
16 7e 7p1 7p2 -1 1 1 -0.73 3.80 6.00 6.72
17 7e 7p3 7p4 -1 1 1 50.66 1.59 4.88 7.32
18 7e 7p5 7p6 -1 1 1 30.38 5.37 7.14 8.03
19 8e 8p1 ethylene -1 1 1 49.73 -2.71 1.14 4.88
20 9e 9p1 9p2 -1 1 1 32.81 2.20 3.72 7.98
21 10e 10p1 10p2 -1 1 1 126.56 3.66 4.82 11.43
MD 1.52 3.45 4.90
MAD 2.48 3.97 5.21
RMSD 2.93 4.70 6.23