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SIE4x4 results

Density functional: HISS

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 2.71 2.71 2.75
2 h h2+_1.25 1 -1 58.9 4.41 4.41 4.45
3 h h2+_1.5 1 -1 48.7 6.22 6.23 6.26
4 h h2+_1.75 1 -1 38.3 8.13 8.15 8.16
5 he he+ he2+_1.0 1 1 -1 56.9 10.36 10.36 10.36
6 he he+ he2+_1.25 1 1 -1 46.9 14.08 14.09 14.09
7 he he+ he2+_1.5 1 1 -1 31.3 18.06 18.09 18.06
8 he he+ he2+_1.75 1 1 -1 19.1 21.96 22.04 21.96
9 nh3 nh3+ nh32+_1.0 1 1 -1 35.9 2.15 2.85 2.60
10 nh3 nh3+ nh32+_1.25 1 1 -1 25.9 3.86 4.40 4.25
11 nh3 nh3+ nh32+_1.5 1 1 -1 13.4 6.38 6.75 6.67
12 nh3 nh3+ nh32+_1.75 1 1 -1 4.9 9.29 9.51 9.48
13 h2o h2o+ h2o2+_1.0 1 1 -1 39.7 3.30 3.86 3.55
14 h2o h2o+ h2o2+_1.25 1 1 -1 29.1 5.83 6.30 6.06
15 h2o h2o+ h2o2+_1.5 1 1 -1 16.9 9.11 9.45 9.30
16 h2o h2o+ h2o2+_1.75 1 1 -1 9.3 12.35 12.55 12.49
MD 8.64 8.86 8.78
MAD 8.64 8.86 8.78
RMSD 10.22 10.36 10.30