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PNICO23 results

Density functional: B1P86

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) D3(BJ)
1 1 1a 1b -1 1 1 1.43 -1.22 -0.41 0.13
2 2 2a 2b -1 1 1 8.02 1.33 2.20 3.42
3 3 3a 3b -1 1 1 0.64 -1.08 -0.14 0.38
4 4 4a 4b -1 1 1 4.26 -0.34 0.73 1.82
5 5 5a 5b -1 1 1 2.86 -3.18 -0.53 0.77
6 6 6a 6b -1 1 1 1.32 -1.48 -0.49 -0.01
7 7 7a 7b -1 1 1 4.29 -0.61 0.35 1.33
8 8 8a 8b -1 1 1 2.63 -1.48 -0.52 0.29
9 9 9a 9b -1 1 1 4.91 -1.26 0.44 1.60
10 10 10a 10b -1 1 1 2.21 -1.48 -0.55 0.17
11 11 11a 11b -1 1 1 1.40 -1.27 -0.41 0.27
12 12 12a 12b -1 1 1 2.62 -1.06 -0.12 0.80
13 13 13a 13b -1 1 1 3.98 -1.13 -0.14 -0.37
14 14 14a 14b -1 1 1 4.10 -0.73 0.04 0.92
15 15 15a 15b -1 1 1 4.34 -1.05 -0.08 -0.33
16 16 16a 16b -1 1 1 1.78 -1.06 -0.19 -0.07
17 17 17a 17b -1 1 1 7.10 -0.54 0.52 0.79
18 18 18a 18b -1 1 1 2.35 -1.07 -0.29 -0.08
19 19 19a 19b -1 1 1 5.95 -0.55 0.53 0.79
20 20 20a 20b -1 1 1 8.18 -0.57 0.52 0.82
21 21 21a 21b -1 1 1 4.92 -0.86 0.15 0.35
22 22 22a 22b -1 1 1 8.03 -1.21 0.44 0.65
23 23 23a 23b -1 1 1 10.97 -1.39 0.81 1.08
MD -1.01 0.12 0.68
MAD 1.13 0.46 0.75
RMSD 1.25 0.63 1.06