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IL16 results

Density functional: τHCTHhyb

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 2.66 -0.72 -0.92
2 144 144A 144B 1 -1 -1 -120.80 2.07 -1.03 -0.51
3 147 147A 147B 1 -1 -1 -116.91 2.00 -1.12 -0.57
4 148 148A 148B 1 -1 -1 -105.01 1.39 0.14 -0.33
5 150 150A 150B 1 -1 -1 -104.44 2.43 0.15 0.55
6 152 152A 152B 1 -1 -1 -87.42 3.21 -0.27 0.29
7 187 187A 187B 1 -1 -1 -114.00 2.28 -0.23 -0.55
8 202 202A 202B 1 -1 -1 -113.51 1.83 -0.21 -0.68
9 212 212A 212B 1 -1 -1 -114.91 1.29 -0.41 -0.85
10 213 213A 213B 1 -1 -1 -112.75 2.50 -0.40 0.29
11 214 214A 214B 1 -1 -1 -104.47 4.22 -0.74 0.21
12 227 227A 227B 1 -1 -1 -118.19 1.05 -0.75 -1.05
13 228 228A 228B 1 -1 -1 -112.02 1.79 -0.52 0.19
14 229 229A 229B 1 -1 -1 -106.53 2.85 -1.02 -0.21
15 230 230A 230B 1 -1 -1 -110.98 1.96 -0.81 -0.62
16 231 231A 231B 1 -1 -1 -102.37 2.40 -1.04 -0.79
MD 2.25 -0.56 -0.35
MAD 2.25 0.60 0.54
RMSD 2.37 0.69 0.60