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SIE4x4 results

Density functional: B3P86

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 3.25 3.25 3.36
2 h h2+_1.25 1 -1 58.9 6.33 6.33 6.45
3 h h2+_1.5 1 -1 48.7 9.60 9.61 9.71
4 h h2+_1.75 1 -1 38.3 12.91 12.94 13.02
5 he he+ he2+_1.0 1 1 -1 56.9 20.17 20.17 20.20
6 he he+ he2+_1.25 1 1 -1 46.9 26.68 26.70 26.71
7 he he+ he2+_1.5 1 1 -1 31.3 33.49 33.56 33.52
8 he he+ he2+_1.75 1 1 -1 19.1 39.82 39.96 39.84
9 nh3 nh3+ nh32+_1.0 1 1 -1 35.9 6.27 7.53 7.27
10 nh3 nh3+ nh32+_1.25 1 1 -1 25.9 10.69 11.64 11.48
11 nh3 nh3+ nh32+_1.5 1 1 -1 13.4 15.16 15.72 15.68
12 nh3 nh3+ nh32+_1.75 1 1 -1 4.9 19.20 19.48 19.50
13 h2o h2o+ h2o2+_1.0 1 1 -1 39.7 9.86 10.84 10.44
14 h2o h2o+ h2o2+_1.25 1 1 -1 29.1 15.45 16.33 15.95
15 h2o h2o+ h2o2+_1.5 1 1 -1 16.9 20.70 21.25 21.09
16 h2o h2o+ h2o2+_1.75 1 1 -1 9.3 24.97 25.24 25.22
MD 17.16 17.54 17.47
MAD 17.16 17.54 17.47
RMSD 19.80 20.07 20.01