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SIE4x4 results

Density functional: BHLYP

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 1.99 1.99 2.13
2 h h2+_1.25 1 -1 58.9 3.87 3.87 4.01
3 h h2+_1.5 1 -1 48.7 5.97 5.98 6.11
4 h h2+_1.75 1 -1 38.3 8.13 8.17 8.27
5 he he+ he2+_1.0 1 1 -1 56.9 12.15 12.16 12.19
6 he he+ he2+_1.25 1 1 -1 46.9 15.36 15.37 15.39
7 he he+ he2+_1.5 1 1 -1 31.3 18.83 18.90 18.86
8 he he+ he2+_1.75 1 1 -1 19.1 22.13 22.29 22.16
9 nh3 nh3+ nh32+_1.0 1 1 -1 35.9 0.01 1.19 1.14
10 nh3 nh3+ nh32+_1.25 1 1 -1 25.9 2.19 2.97 2.97
11 nh3 nh3+ nh32+_1.5 1 1 -1 13.4 4.22 4.69 4.67
12 nh3 nh3+ nh32+_1.75 1 1 -1 4.9 6.16 6.41 6.40
13 h2o h2o+ h2o2+_1.0 1 1 -1 39.7 -0.06 0.96 0.63
14 h2o h2o+ h2o2+_1.25 1 1 -1 29.1 2.19 2.94 2.74
15 h2o h2o+ h2o2+_1.5 1 1 -1 16.9 4.49 4.94 4.85
16 h2o h2o+ h2o2+_1.75 1 1 -1 9.3 6.50 6.74 6.70
MD 7.13 7.47 7.45
MAD 7.14 7.47 7.45
RMSD 9.61 9.72 9.71