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RC21 results

Density functional: N12SX

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 1e 1p1 me -1 1 1 23.43 7.43 8.93
2 1e 1p2 1p3 -1 1 1 26.66 6.18 8.05
3 2e 2p1 me -1 1 1 24.74 8.82 9.84
4 2e 2p2 2p3 -1 1 1 59.44 0.96 2.40
5 3e 3p1 3p2 -1 1 1 57.93 1.56 1.78
6 3e 3int1 -1 1 36.56 -0.40 -0.49
7 3e 3int2 -1 1 17.91 -1.86 -1.93
8 3e 3int3 -1 1 16.80 -1.95 -2.08
9 3e 3p2 3p3 -1 1 1 49.85 0.66 0.76
10 4e 4p me -1 1 1 45.16 5.63 6.92
11 5e 5p me -1 1 1 22.24 2.77 4.01
12 6e 6int -1 1 -6.72 -1.00 -1.42
13 6e 6p1 ethylene -1 1 1 21.21 1.57 3.29
14 6e 6p3 me -1 1 1 22.03 7.23 8.61
15 6e 1p2 pr -1 1 1 28.12 6.43 8.34
16 7e 7p1 7p2 -1 1 1 -0.73 7.30 8.34
17 7e 7p3 7p4 -1 1 1 50.66 4.55 6.38
18 7e 7p5 7p6 -1 1 1 30.38 8.87 9.75
19 8e 8p1 ethylene -1 1 1 49.73 5.65 8.13
20 9e 9p1 9p2 -1 1 1 32.81 8.72 10.43
21 10e 10p1 10p2 -1 1 1 126.56 13.29 15.20
MD 4.40 5.49
MAD 4.90 6.05
RMSD 6.00 7.21