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PNICO23 results

Density functional: MN15

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 1 1a 1b -1 1 1 1.43 0.40 0.41
2 2 2a 2b -1 1 1 8.02 0.03 0.03
3 3 3a 3b -1 1 1 0.64 0.19 0.19
4 4 4a 4b -1 1 1 4.26 0.11 0.11
5 5 5a 5b -1 1 1 2.86 -0.16 -0.15
6 6 6a 6b -1 1 1 1.32 0.26 0.27
7 7 7a 7b -1 1 1 4.29 0.44 0.45
8 8 8a 8b -1 1 1 2.63 0.34 0.35
9 9 9a 9b -1 1 1 4.91 0.60 0.61
10 10 10a 10b -1 1 1 2.21 0.05 0.06
11 11 11a 11b -1 1 1 1.40 -0.07 -0.06
12 12 12a 12b -1 1 1 2.62 0.07 0.08
13 13 13a 13b -1 1 1 3.98 0.01 0.01
14 14 14a 14b -1 1 1 4.10 0.59 0.59
15 15 15a 15b -1 1 1 4.34 0.25 0.25
16 16 16a 16b -1 1 1 1.78 0.42 0.43
17 17 17a 17b -1 1 1 7.10 0.54 0.55
18 18 18a 18b -1 1 1 2.35 0.19 0.19
19 19 19a 19b -1 1 1 5.95 0.24 0.25
20 20 20a 20b -1 1 1 8.18 0.68 0.69
21 21 21a 21b -1 1 1 4.92 0.36 0.37
22 22 22a 22b -1 1 1 8.03 0.41 0.41
23 23 23a 23b -1 1 1 10.97 0.38 0.39
MD 0.28 0.28
MAD 0.30 0.30
RMSD 0.35 0.36