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PX13 results

Density functional: HSE06

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 nh3_2 nh3_2_ts -1 1 59.3 -3.62 -3.65 -3.83
2 nh3_3 nh3_3_ts -1 1 46.9 -6.22 -6.30 -6.62
3 nh3_4 nh3_4_ts -1 1 48.4 -5.94 -6.55 -6.67
4 h2o_2 h2o_2_ts -1 1 48.6 -4.35 -4.26 -4.41
5 h2o_3 h2o_3_ts -1 1 29.8 -5.49 -5.41 -5.58
6 h2o_4 h2o_4_ts -1 1 26.6 -6.06 -6.40 -6.26
7 h2o_5 h2o_5_ts -1 1 30.1 -7.33 -7.97 -7.71
8 h2o_6 h2o_6_ts -1 1 35.1 -8.73 -9.35 -9.22
9 hf_2 hf_2_ts -1 1 42.3 -4.70 -4.55 -4.71
10 hf_3 hf_3_ts -1 1 20.7 -5.31 -5.05 -5.32
11 hf_4 hf_4_ts -1 1 14.7 -5.18 -5.22 -5.22
12 hf_5 hf_5_ts -1 1 14.6 -5.72 -6.01 -5.82
13 hf_6 hf_6_ts -1 1 16.6 -6.70 -7.03 -6.87
MD -5.80 -5.98 -6.02
MAD 5.80 5.98 6.02
RMSD 5.93 6.17 6.18