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WCPT18 results

Density functional: PBEhPBE

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 -5.23 -5.07 -5.24
2 reac2 ts2 -1 1 36.21 -6.48 -6.48 -6.48
3 reac3 ts3 -1 1 60.95 -8.45 -8.41 -8.49
4 reac4 ts4 -1 1 47.52 -6.00 -6.04 -5.97
5 reac5 ts5 -1 1 65.68 -7.24 -7.22 -7.26
6 reac6 ts6 -1 1 81.24 -8.44 -8.48 -8.44
7 reac7 ts7 -1 1 32.00 -4.54 -4.32 -4.55
8 reac8 ts8 -1 1 28.97 -5.81 -5.72 -5.78
9 reac9 ts9 -1 1 58.80 -8.73 -8.55 -8.73
10 reac1 h2o ts1h2o -1 -1 1 5.40 -7.04 -7.91 -7.89
11 reac2 h2o ts2h2o -1 -1 1 2.68 -8.35 -9.33 -9.21
12 reac3 h2o ts3h2o -1 -1 1 28.78 -12.02 -13.31 -13.08
13 reac4 h2o ts4h2o -1 -1 1 8.68 -7.13 -8.19 -8.11
14 reac5 h2o ts5h2o -1 -1 1 33.89 -11.69 -12.96 -12.73
15 reac6 h2o ts6h2o -1 -1 1 59.63 -14.91 -16.43 -16.24
16 reac7 h2o ts7h2o -1 -1 1 5.83 -7.07 -8.16 -8.35
17 reac8 h2o ts8h2o -1 -1 1 3.54 -8.95 -10.15 -10.27
18 reac9 h2o ts9h2o -1 -1 1 33.22 -11.42 -12.93 -12.94
MD -8.31 -8.87 -8.88
MAD 8.31 8.87 8.88
RMSD 8.71 9.40 9.38