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WCPT18 results

Density functional: B97-2

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 -0.33 -0.04 -0.44
2 reac2 ts2 -1 1 36.21 -1.31 -1.32 -1.35
3 reac3 ts3 -1 1 60.95 -2.37 -2.30 -2.60
4 reac4 ts4 -1 1 47.52 -0.74 -0.81 -0.73
5 reac5 ts5 -1 1 65.68 -1.35 -1.31 -1.55
6 reac6 ts6 -1 1 81.24 -0.78 -0.86 -0.84
7 reac7 ts7 -1 1 32.00 0.31 0.70 0.07
8 reac8 ts8 -1 1 28.97 -0.83 -0.67 -0.97
9 reac9 ts9 -1 1 58.80 -2.42 -2.11 -2.77
10 reac1 h2o ts1h2o -1 -1 1 5.40 -0.03 -1.52 -2.56
11 reac2 h2o ts2h2o -1 -1 1 2.68 -0.82 -2.50 -3.27
12 reac3 h2o ts3h2o -1 -1 1 28.78 -2.65 -4.86 -5.70
13 reac4 h2o ts4h2o -1 -1 1 8.68 0.47 -1.33 -2.21
14 reac5 h2o ts5h2o -1 -1 1 33.89 -1.64 -3.78 -4.44
15 reac6 h2o ts6h2o -1 -1 1 59.63 -4.00 -6.60 -7.71
16 reac7 h2o ts7h2o -1 -1 1 5.83 0.14 -1.74 -3.27
17 reac8 h2o ts8h2o -1 -1 1 3.54 -0.92 -2.97 -4.34
18 reac9 h2o ts9h2o -1 -1 1 33.22 -2.48 -5.09 -6.44
MD -1.21 -2.17 -2.84
MAD 1.31 2.25 2.85
RMSD 1.68 2.84 3.54