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PNICO23 results

Density functional: VV10

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. VV10
1 1 1a 1b -1 1 1 1.43 0.28
2 2 2a 2b -1 1 1 8.02 4.26
3 3 3a 3b -1 1 1 0.64 0.67
4 4 4a 4b -1 1 1 4.26 2.32
5 5 5a 5b -1 1 1 2.86 0.16
6 6 6a 6b -1 1 1 1.32 -0.04
7 7 7a 7b -1 1 1 4.29 2.04
8 8 8a 8b -1 1 1 2.63 0.63
9 9 9a 9b -1 1 1 4.91 1.90
10 10 10a 10b -1 1 1 2.21 0.27
11 11 11a 11b -1 1 1 1.40 0.34
12 12 12a 12b -1 1 1 2.62 0.94
13 13 13a 13b -1 1 1 3.98 0.85
14 14 14a 14b -1 1 1 4.10 1.30
15 15 15a 15b -1 1 1 4.34 0.48
16 16 16a 16b -1 1 1 1.78 0.42
17 17 17a 17b -1 1 1 7.10 1.42
18 18 18a 18b -1 1 1 2.35 0.60
19 19 19a 19b -1 1 1 5.95 1.97
20 20 20a 20b -1 1 1 8.18 0.64
21 21 21a 21b -1 1 1 4.92 0.74
22 22 22a 22b -1 1 1 8.03 0.88
23 23 23a 23b -1 1 1 10.97 1.04
MD 1.05
MAD 1.05
RMSD 1.40