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WCPT18 results

Density functional: HCTH

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 reac1 ts1 -1 1 36.76 -3.15 -2.83 -3.48
2 reac2 ts2 -1 1 36.21 -4.45 -4.46 -4.62
3 reac3 ts3 -1 1 60.95 -6.10 -6.02 -6.71
4 reac4 ts4 -1 1 47.52 -3.39 -3.47 -3.50
5 reac5 ts5 -1 1 65.68 -4.52 -4.49 -5.09
6 reac6 ts6 -1 1 81.24 -7.26 -7.35 -7.41
7 reac7 ts7 -1 1 32.00 -1.92 -1.49 -2.68
8 reac8 ts8 -1 1 28.97 -3.17 -2.99 -3.72
9 reac9 ts9 -1 1 58.80 -5.82 -5.48 -6.74
10 reac1 h2o ts1h2o -1 -1 1 5.40 0.32 -1.33 -3.76
11 reac2 h2o ts2h2o -1 -1 1 2.68 -0.95 -2.82 -4.77
12 reac3 h2o ts3h2o -1 -1 1 28.78 -4.20 -6.67 -8.98
13 reac4 h2o ts4h2o -1 -1 1 8.68 0.56 -1.44 -3.57
14 reac5 h2o ts5h2o -1 -1 1 33.89 -3.73 -6.11 -7.93
15 reac6 h2o ts6h2o -1 -1 1 59.63 -6.49 -9.39 -12.14
16 reac7 h2o ts7h2o -1 -1 1 5.83 0.61 -1.48 -4.31
17 reac8 h2o ts8h2o -1 -1 1 3.54 -1.16 -3.45 -6.00
18 reac9 h2o ts9h2o -1 -1 1 33.22 -3.32 -6.24 -8.89
MD -3.23 -4.31 -5.80
MAD 3.39 4.31 5.80
RMSD 3.99 4.87 6.29