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WCPT18 results

Density functional: B2GPPLYP

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 0.10 0.19 0.09
2 reac2 ts2 -1 1 36.21 -0.38 -0.38 -0.38
3 reac3 ts3 -1 1 60.95 -0.54 -0.52 -0.57
4 reac4 ts4 -1 1 47.52 0.29 0.27 0.30
5 reac5 ts5 -1 1 65.68 0.45 0.46 0.43
6 reac6 ts6 -1 1 81.24 1.53 1.51 1.53
7 reac7 ts7 -1 1 32.00 0.45 0.58 0.44
8 reac8 ts8 -1 1 28.97 0.03 0.08 0.04
9 reac9 ts9 -1 1 58.80 -0.28 -0.18 -0.30
10 reac1 h2o ts1h2o -1 -1 1 5.40 -0.66 -1.13 -1.20
11 reac2 h2o ts2h2o -1 -1 1 2.68 -1.19 -1.73 -1.73
12 reac3 h2o ts3h2o -1 -1 1 28.78 -1.80 -2.49 -2.46
13 reac4 h2o ts4h2o -1 -1 1 8.68 -0.68 -1.25 -1.28
14 reac5 h2o ts5h2o -1 -1 1 33.89 -1.19 -1.87 -1.83
15 reac6 h2o ts6h2o -1 -1 1 59.63 -1.84 -2.66 -2.66
16 reac7 h2o ts7h2o -1 -1 1 5.83 -0.49 -1.08 -1.24
17 reac8 h2o ts8h2o -1 -1 1 3.54 -0.97 -1.61 -1.74
18 reac9 h2o ts9h2o -1 -1 1 33.22 -1.56 -2.38 -2.46
MD -0.48 -0.79 -0.84
MAD 0.80 1.13 1.15
RMSD 0.98 1.40 1.43