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PX13 results

Density functional: HCTH

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 -2.39 -3.01 -4.71
2 nh3_3 nh3_3_ts -1 1 46.9 -2.81 -3.68 -6.67
3 nh3_4 nh3_4_ts -1 1 48.4 -2.07 -3.97 -6.58
4 h2o_2 h2o_2_ts -1 1 48.6 -4.54 -4.36 -5.76
5 h2o_3 h2o_3_ts -1 1 29.8 -3.56 -3.43 -5.42
6 h2o_4 h2o_4_ts -1 1 26.6 -3.88 -4.55 -6.18
7 h2o_5 h2o_5_ts -1 1 30.1 -5.00 -5.18 -7.61
8 h2o_6 h2o_6_ts -1 1 35.1 -6.03 -5.93 -8.93
9 hf_2 hf_2_ts -1 1 42.3 -5.06 -4.56 -5.60
10 hf_3 hf_3_ts -1 1 20.7 -4.05 -3.64 -4.71
11 hf_4 hf_4_ts -1 1 14.7 -3.98 -4.43 -4.86
12 hf_5 hf_5_ts -1 1 14.6 -4.62 -4.67 -5.56
13 hf_6 hf_6_ts -1 1 16.6 -5.55 -5.36 -6.59
MD -4.12 -4.37 -6.09
MAD 4.12 4.37 6.09
RMSD 4.28 4.44 6.20