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PX13 results

Density functional: M052X

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 -0.93 -0.87
2 nh3_3 nh3_3_ts -1 1 46.9 -2.05 -1.94
3 nh3_4 nh3_4_ts -1 1 48.4 -1.20 -1.15
4 h2o_2 h2o_2_ts -1 1 48.6 -4.38 -4.32
5 h2o_3 h2o_3_ts -1 1 29.8 -6.43 -6.34
6 h2o_4 h2o_4_ts -1 1 26.6 -7.79 -7.67
7 h2o_5 h2o_5_ts -1 1 30.1 -9.50 -9.46
8 h2o_6 h2o_6_ts -1 1 35.1 -11.37 -11.47
9 hf_2 hf_2_ts -1 1 42.3 -5.88 -5.86
10 hf_3 hf_3_ts -1 1 20.7 -9.01 -8.99
11 hf_4 hf_4_ts -1 1 14.7 -10.80 -10.72
12 hf_5 hf_5_ts -1 1 14.6 -12.75 -12.69
13 hf_6 hf_6_ts -1 1 16.6 -15.07 -15.09
MD -7.47 -7.43
MAD 7.47 7.43
RMSD 8.63 8.61