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PX13 results

Density functional: B97-D3

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. D3(0) D3(BJ)
1 nh3_2 nh3_2_ts -1 1 59.3 -4.79 -5.57
2 nh3_3 nh3_3_ts -1 1 46.9 -7.22 -8.46
3 nh3_4 nh3_4_ts -1 1 48.4 -7.88 -8.89
4 h2o_2 h2o_2_ts -1 1 48.6 -5.50 -6.51
5 h2o_3 h2o_3_ts -1 1 29.8 -5.96 -7.25
6 h2o_4 h2o_4_ts -1 1 26.6 -7.06 -8.35
7 h2o_5 h2o_5_ts -1 1 30.1 -8.14 -10.00
8 h2o_6 h2o_6_ts -1 1 35.1 -9.40 -11.54
9 hf_2 hf_2_ts -1 1 42.3 -5.58 -6.48
10 hf_3 hf_3_ts -1 1 20.7 -5.62 -6.30
11 hf_4 hf_4_ts -1 1 14.7 -6.12 -6.46
12 hf_5 hf_5_ts -1 1 14.6 -6.43 -7.21
13 hf_6 hf_6_ts -1 1 16.6 -7.30 -8.32
MD -6.69 -7.80
MAD 6.69 7.80
RMSD 6.81 7.96