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WCPT18 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 reac1 ts1 -1 1 36.76 -3.52 -3.31 -3.55
2 reac2 ts2 -1 1 36.21 -4.77 -4.76 -4.76
3 reac3 ts3 -1 1 60.95 -5.78 -5.71 -5.84
4 reac4 ts4 -1 1 47.52 -4.26 -4.30 -4.23
5 reac5 ts5 -1 1 65.68 -4.62 -4.58 -4.67
6 reac6 ts6 -1 1 81.24 -5.06 -5.10 -5.07
7 reac7 ts7 -1 1 32.00 -3.40 -3.10 -3.42
8 reac8 ts8 -1 1 28.97 -4.62 -4.48 -4.58
9 reac9 ts9 -1 1 58.80 -6.39 -6.15 -6.41
10 reac1 h2o ts1h2o -1 -1 1 5.40 -5.93 -7.08 -7.29
11 reac2 h2o ts2h2o -1 -1 1 2.68 -7.00 -8.32 -8.37
12 reac3 h2o ts3h2o -1 -1 1 28.78 -9.23 -10.95 -10.92
13 reac4 h2o ts4h2o -1 -1 1 8.68 -5.09 -6.53 -6.63
14 reac5 h2o ts5h2o -1 -1 1 33.89 -7.51 -9.21 -9.14
15 reac6 h2o ts6h2o -1 -1 1 59.63 -11.62 -13.67 -13.72
16 reac7 h2o ts7h2o -1 -1 1 5.83 -5.96 -7.39 -7.93
17 reac8 h2o ts8h2o -1 -1 1 3.54 -7.29 -8.87 -9.32
18 reac9 h2o ts9h2o -1 -1 1 33.22 -8.83 -10.84 -11.18
MD -6.16 -6.91 -7.06
MAD 6.16 6.91 7.06
RMSD 6.50 7.47 7.61