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SIE4x4 results

Density functional: DSD-BLYP

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 1.21 1.21 1.26
2 h h2+_1.25 1 -1 58.9 2.36 2.36 2.41
3 h h2+_1.5 1 -1 48.7 3.64 3.64 3.69
4 h h2+_1.75 1 -1 38.3 4.88 4.90 4.93
5 he he+ he2+_1.0 1 1 -1 56.9 6.50 6.50 6.51
6 he he+ he2+_1.25 1 1 -1 46.9 8.27 8.28 8.28
7 he he+ he2+_1.5 1 1 -1 31.3 10.36 10.39 10.37
8 he he+ he2+_1.75 1 1 -1 19.1 12.47 12.54 12.48
9 nh3 nh3+ nh32+_1.0 1 1 -1 35.9 1.57 2.10 2.04
10 nh3 nh3+ nh32+_1.25 1 1 -1 25.9 3.37 3.68 3.70
11 nh3 nh3+ nh32+_1.5 1 1 -1 13.4 5.14 5.31 5.33
12 nh3 nh3+ nh32+_1.75 1 1 -1 4.9 6.94 7.03 7.05
13 h2o h2o+ h2o2+_1.0 1 1 -1 39.7 2.96 3.44 3.25
14 h2o h2o+ h2o2+_1.25 1 1 -1 29.1 5.26 5.59 5.48
15 h2o h2o+ h2o2+_1.5 1 1 -1 16.9 7.54 7.71 7.70
16 h2o h2o+ h2o2+_1.75 1 1 -1 9.3 9.54 9.63 9.63
MD 5.75 5.90 5.88
MAD 5.75 5.90 5.88
RMSD 6.57 6.67 6.65