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SIE4x4 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 h h2+_1.0 1 -1 64.4 4.08 4.08 4.15
2 h h2+_1.25 1 -1 58.9 7.98 7.98 8.04
3 h h2+_1.5 1 -1 48.7 12.21 12.22 12.28
4 h h2+_1.75 1 -1 38.3 16.62 16.66 16.69
5 he he+ he2+_1.0 1 1 -1 56.9 19.52 19.53 19.54
6 he he+ he2+_1.25 1 1 -1 46.9 28.88 28.90 28.89
7 he he+ he2+_1.5 1 1 -1 31.3 38.17 38.24 38.18
8 he he+ he2+_1.75 1 1 -1 19.1 46.45 46.60 46.46
9 nh3 nh3+ nh32+_1.0 1 1 -1 35.9 11.22 12.29 11.90
10 nh3 nh3+ nh32+_1.25 1 1 -1 25.9 18.02 18.65 18.56
11 nh3 nh3+ nh32+_1.5 1 1 -1 13.4 24.33 24.67 24.69
12 nh3 nh3+ nh32+_1.75 1 1 -1 4.9 29.69 29.87 29.90
13 h2o h2o+ h2o2+_1.0 1 1 -1 39.7 17.58 18.54 17.97
14 h2o h2o+ h2o2+_1.25 1 1 -1 29.1 26.30 26.96 26.64
15 h2o h2o+ h2o2+_1.5 1 1 -1 16.9 33.55 33.88 33.81
16 h2o h2o+ h2o2+_1.75 1 1 -1 9.3 39.06 39.23 39.23
MD 23.35 23.64 23.56
MAD 23.35 23.64 23.56
RMSD 26.11 26.36 26.28