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PX13 results

Density functional: OLYP

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 -2.74 -4.94 -6.59
2 nh3_3 nh3_3_ts -1 1 46.9 -4.24 -8.71 -10.85
3 nh3_4 nh3_4_ts -1 1 48.4 -2.90 -8.25 -10.68
4 h2o_2 h2o_2_ts -1 1 48.6 -5.11 -5.52 -7.26
5 h2o_3 h2o_3_ts -1 1 29.8 -4.52 -5.19 -7.76
6 h2o_4 h2o_4_ts -1 1 26.6 -4.75 -6.62 -8.81
7 h2o_5 h2o_5_ts -1 1 30.1 -5.73 -7.68 -10.22
8 h2o_6 h2o_6_ts -1 1 35.1 -6.76 -8.81 -11.68
9 hf_2 hf_2_ts -1 1 42.3 -5.05 -4.29 -6.04
10 hf_3 hf_3_ts -1 1 20.7 -4.12 -3.22 -5.32
11 hf_4 hf_4_ts -1 1 14.7 -3.95 -4.31 -5.59
12 hf_5 hf_5_ts -1 1 14.6 -4.41 -4.68 -6.08
13 hf_6 hf_6_ts -1 1 16.6 -5.21 -5.44 -7.01
MD -4.58 -5.97 -7.99
MAD 4.58 5.97 7.99
RMSD 4.69 6.23 8.27