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IL16 results

Density functional: O3LYP

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)
1 008 008A 008B 1 -1 -1 -100.41 3.78 -0.03 -0.29
2 144 144A 144B 1 -1 -1 -120.80 2.21 -1.35 -0.74
3 147 147A 147B 1 -1 -1 -116.91 2.12 -1.46 -0.82
4 148 148A 148B 1 -1 -1 -105.01 1.16 -0.26 -0.78
5 150 150A 150B 1 -1 -1 -104.44 2.11 -0.49 -0.02
6 152 152A 152B 1 -1 -1 -87.42 3.31 -0.68 -0.07
7 187 187A 187B 1 -1 -1 -114.00 2.63 -0.24 -0.64
8 202 202A 202B 1 -1 -1 -113.51 1.97 -0.36 -0.92
9 212 212A 212B 1 -1 -1 -114.91 1.26 -0.67 -1.17
10 213 213A 213B 1 -1 -1 -112.75 2.28 -1.03 -0.22
11 214 214A 214B 1 -1 -1 -104.47 4.29 -1.36 -0.31
12 227 227A 227B 1 -1 -1 -118.19 0.91 -1.12 -1.46
13 228 228A 228B 1 -1 -1 -112.02 1.66 -0.96 -0.14
14 229 229A 229B 1 -1 -1 -106.53 2.76 -1.68 -0.76
15 230 230A 230B 1 -1 -1 -110.98 1.80 -1.40 -1.17
16 231 231A 231B 1 -1 -1 -102.37 2.26 -1.67 -1.33
MD 2.28 -0.92 -0.68
MAD 2.28 0.92 0.68
RMSD 2.45 1.06 0.81