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PX13 results

Density functional: O3LYP

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 -6.15 -6.49 -6.70
2 nh3_3 nh3_3_ts -1 1 46.9 -9.99 -10.45 -10.99
3 nh3_4 nh3_4_ts -1 1 48.4 -9.23 -10.42 -10.78
4 h2o_2 h2o_2_ts -1 1 48.6 -7.99 -7.81 -8.17
5 h2o_3 h2o_3_ts -1 1 29.8 -9.55 -9.37 -9.85
6 h2o_4 h2o_4_ts -1 1 26.6 -10.68 -10.99 -11.21
7 h2o_5 h2o_5_ts -1 1 30.1 -12.77 -12.85 -13.54
8 h2o_6 h2o_6_ts -1 1 35.1 -15.21 -15.26 -16.11
9 hf_2 hf_2_ts -1 1 42.3 -8.00 -7.65 -8.04
10 hf_3 hf_3_ts -1 1 20.7 -8.63 -8.34 -8.67
11 hf_4 hf_4_ts -1 1 14.7 -8.49 -8.70 -8.61
12 hf_5 hf_5_ts -1 1 14.6 -9.41 -9.39 -9.66
13 hf_6 hf_6_ts -1 1 16.6 -11.05 -10.96 -11.37
MD -9.78 -9.90 -10.28
MAD 9.78 9.90 10.28
RMSD 10.03 10.15 10.56