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WCPT18 results

Density functional: τHCTH

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 -3.61 -3.30 -3.70
2 reac2 ts2 -1 1 36.21 -4.74 -4.69 -4.76
3 reac3 ts3 -1 1 60.95 -6.17 -6.05 -6.37
4 reac4 ts4 -1 1 47.52 -4.07 -4.10 -4.05
5 reac5 ts5 -1 1 65.68 -4.97 -4.95 -5.15
6 reac6 ts6 -1 1 81.24 -6.43 -6.58 -6.47
7 reac7 ts7 -1 1 32.00 -2.35 -1.94 -2.54
8 reac8 ts8 -1 1 28.97 -3.52 -3.31 -3.62
9 reac9 ts9 -1 1 58.80 -5.95 -5.64 -6.24
10 reac1 h2o ts1h2o -1 -1 1 5.40 -4.14 -5.85 -6.59
11 reac2 h2o ts2h2o -1 -1 1 2.68 -5.04 -6.97 -7.42
12 reac3 h2o ts3h2o -1 -1 1 28.78 -7.92 -10.37 -10.90
13 reac4 h2o ts4h2o -1 -1 1 8.68 -3.24 -5.40 -5.86
14 reac5 h2o ts5h2o -1 -1 1 33.89 -7.10 -9.59 -9.85
15 reac6 h2o ts6h2o -1 -1 1 59.63 -9.76 -12.73 -13.40
16 reac7 h2o ts7h2o -1 -1 1 5.83 -3.35 -5.36 -6.77
17 reac8 h2o ts8h2o -1 -1 1 3.54 -4.87 -7.12 -8.30
18 reac9 h2o ts9h2o -1 -1 1 33.22 -6.82 -9.59 -10.79
MD -5.22 -6.31 -6.82
MAD 5.22 6.31 6.82
RMSD 5.54 6.86 7.38