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PX13 results

Density functional: B3LYP-NL

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. VV10
1 nh3_2 nh3_2_ts -1 1 59.3 -3.50
2 nh3_3 nh3_3_ts -1 1 46.9 -5.54
3 nh3_4 nh3_4_ts -1 1 48.4 -5.91
4 h2o_2 h2o_2_ts -1 1 48.6 -4.11
5 h2o_3 h2o_3_ts -1 1 29.8 -5.25
6 h2o_4 h2o_4_ts -1 1 26.6 -6.40
7 h2o_5 h2o_5_ts -1 1 30.1 -7.51
8 h2o_6 h2o_6_ts -1 1 35.1 -8.88
9 hf_2 hf_2_ts -1 1 42.3 -4.78
10 hf_3 hf_3_ts -1 1 20.7 -5.32
11 hf_4 hf_4_ts -1 1 14.7 -5.50
12 hf_5 hf_5_ts -1 1 14.6 -6.08
13 hf_6 hf_6_ts -1 1 16.6 -7.07
MD -5.84
MAD 5.84
RMSD 5.99