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PNICO23 results

Density functional: MN15L

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 1 1a 1b -1 1 1 1.43 0.35 0.35
2 2 2a 2b -1 1 1 8.02 0.10 0.10
3 3 3a 3b -1 1 1 0.64 0.25 0.25
4 4 4a 4b -1 1 1 4.26 -0.84 -0.84
5 5 5a 5b -1 1 1 2.86 0.13 0.13
6 6 6a 6b -1 1 1 1.32 0.36 0.36
7 7 7a 7b -1 1 1 4.29 -0.46 -0.46
8 8 8a 8b -1 1 1 2.63 -0.07 -0.07
9 9 9a 9b -1 1 1 4.91 -0.12 -0.12
10 10 10a 10b -1 1 1 2.21 -0.19 -0.19
11 11 11a 11b -1 1 1 1.40 -0.30 -0.30
12 12 12a 12b -1 1 1 2.62 -0.52 -0.52
13 13 13a 13b -1 1 1 3.98 0.27 0.27
14 14 14a 14b -1 1 1 4.10 -0.50 -0.50
15 15 15a 15b -1 1 1 4.34 0.18 0.18
16 16 16a 16b -1 1 1 1.78 0.55 0.55
17 17 17a 17b -1 1 1 7.10 -0.59 -0.59
18 18 18a 18b -1 1 1 2.35 0.32 0.32
19 19 19a 19b -1 1 1 5.95 -0.46 -0.46
20 20 20a 20b -1 1 1 8.18 -1.25 -1.25
21 21 21a 21b -1 1 1 4.92 -0.20 -0.20
22 22 22a 22b -1 1 1 8.03 -0.45 -0.45
23 23 23a 23b -1 1 1 10.97 -0.74 -0.73
MD -0.18 -0.18
MAD 0.40 0.40
RMSD 0.48 0.48