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PNICO23 results

Density functional: M062X

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 0.01 0.06
2 2 2a 2b -1 1 1 8.02 -0.21 -0.16
3 3 3a 3b -1 1 1 0.64 -0.10 -0.02
4 4 4a 4b -1 1 1 4.26 -0.05 0.04
5 5 5a 5b -1 1 1 2.86 -0.64 -0.47
6 6 6a 6b -1 1 1 1.32 -0.19 -0.10
7 7 7a 7b -1 1 1 4.29 0.22 0.31
8 8 8a 8b -1 1 1 2.63 0.07 0.17
9 9 9a 9b -1 1 1 4.91 0.19 0.36
10 10 10a 10b -1 1 1 2.21 -0.23 -0.13
11 11 11a 11b -1 1 1 1.40 -0.35 -0.25
12 12 12a 12b -1 1 1 2.62 -0.10 0.01
13 13 13a 13b -1 1 1 3.98 0.31 0.37
14 14 14a 14b -1 1 1 4.10 0.23 0.28
15 15 15a 15b -1 1 1 4.34 0.30 0.34
16 16 16a 16b -1 1 1 1.78 0.22 0.27
17 17 17a 17b -1 1 1 7.10 0.35 0.39
18 18 18a 18b -1 1 1 2.35 0.15 0.21
19 19 19a 19b -1 1 1 5.95 0.14 0.19
20 20 20a 20b -1 1 1 8.18 0.62 0.69
21 21 21a 21b -1 1 1 4.92 0.46 0.51
22 22 22a 22b -1 1 1 8.03 0.64 0.71
23 23 23a 23b -1 1 1 10.97 0.63 0.71
MD 0.12 0.19
MAD 0.28 0.29
RMSD 0.34 0.36