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SIE4x4 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 h h2+_1.0 1 -1 64.4 3.91 3.91 4.02
2 h h2+_1.25 1 -1 58.9 7.35 7.35 7.46
3 h h2+_1.5 1 -1 48.7 11.03 11.05 11.14
4 h h2+_1.75 1 -1 38.3 14.82 14.87 14.93
5 he he+ he2+_1.0 1 1 -1 56.9 22.28 22.28 22.30
6 he he+ he2+_1.25 1 1 -1 46.9 29.70 29.72 29.72
7 he he+ he2+_1.5 1 1 -1 31.3 37.48 37.56 37.50
8 he he+ he2+_1.75 1 1 -1 19.1 44.57 44.76 44.59
9 nh3 nh3+ nh32+_1.0 1 1 -1 35.9 10.03 11.46 11.12
10 nh3 nh3+ nh32+_1.25 1 1 -1 25.9 14.85 15.74 15.66
11 nh3 nh3+ nh32+_1.5 1 1 -1 13.4 20.28 20.79 20.77
12 nh3 nh3+ nh32+_1.75 1 1 -1 4.9 25.07 25.32 25.33
13 h2o h2o+ h2o2+_1.0 1 1 -1 39.7 14.78 16.03 15.42
14 h2o h2o+ h2o2+_1.25 1 1 -1 29.1 21.16 22.05 21.69
15 h2o h2o+ h2o2+_1.5 1 1 -1 16.9 27.45 27.95 27.83
16 h2o h2o+ h2o2+_1.75 1 1 -1 9.3 32.32 32.57 32.55
MD 21.07 21.46 21.38
MAD 21.07 21.46 21.38
RMSD 23.72 24.04 23.95