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PX13 results

Density functional: N12SX

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(BJ)
1 nh3_2 nh3_2_ts -1 1 59.3 -3.13 -3.38
2 nh3_3 nh3_3_ts -1 1 46.9 -5.99 -6.46
3 nh3_4 nh3_4_ts -1 1 48.4 -5.23 -6.08
4 h2o_2 h2o_2_ts -1 1 48.6 -3.88 -3.95
5 h2o_3 h2o_3_ts -1 1 29.8 -5.24 -5.35
6 h2o_4 h2o_4_ts -1 1 26.6 -6.53 -6.77
7 h2o_5 h2o_5_ts -1 1 30.1 -8.22 -8.65
8 h2o_6 h2o_6_ts -1 1 35.1 -9.86 -10.42
9 hf_2 hf_2_ts -1 1 42.3 -3.86 -3.88
10 hf_3 hf_3_ts -1 1 20.7 -4.62 -4.62
11 hf_4 hf_4_ts -1 1 14.7 -5.16 -5.20
12 hf_5 hf_5_ts -1 1 14.6 -6.14 -6.26
13 hf_6 hf_6_ts -1 1 16.6 -7.22 -7.42
MD -5.78 -6.03
MAD 5.78 6.03
RMSD 6.05 6.33