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PX13 results

Density functional: PW1PW

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)
1 nh3_2 nh3_2_ts -1 1 59.3 -3.75 -3.96
2 nh3_3 nh3_3_ts -1 1 46.9 -6.72 -6.99
3 nh3_4 nh3_4_ts -1 1 48.4 -6.31 -7.05
4 h2o_2 h2o_2_ts -1 1 48.6 -4.61 -4.50
5 h2o_3 h2o_3_ts -1 1 29.8 -6.13 -6.01
6 h2o_4 h2o_4_ts -1 1 26.6 -6.99 -7.19
7 h2o_5 h2o_5_ts -1 1 30.1 -8.29 -8.30
8 h2o_6 h2o_6_ts -1 1 35.1 -9.92 -9.93
9 hf_2 hf_2_ts -1 1 42.3 -4.80 -4.58
10 hf_3 hf_3_ts -1 1 20.7 -5.71 -5.53
11 hf_4 hf_4_ts -1 1 14.7 -5.72 -5.87
12 hf_5 hf_5_ts -1 1 14.6 -6.34 -6.30
13 hf_6 hf_6_ts -1 1 16.6 -7.44 -7.36
MD -6.37 -6.43
MAD 6.37 6.43
RMSD 6.55 6.62