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CDIE20 results

Density functional: PBE

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 R20 P20 -1 1 -3.3 2.69 2.59 2.55
2 R21 P20 -1 1 4.4 1.80 1.76 1.76
3 R22 P22 -1 1 -5.9 1.81 1.61 1.54
4 R25 P25 -1 1 -4.8 3.26 3.02 2.86
5 R26 P26 -1 1 -2.5 2.79 2.61 2.59
6 R28 P26 -1 1 4.0 1.89 1.79 1.80
7 R29 P25 -1 1 4.5 2.06 1.84 1.75
8 R40 P40 -1 1 1.7 0.61 0.85 0.83
9 R43 P43 -1 1 2.9 0.48 0.54 0.60
10 R44 P44 -1 1 3.7 2.51 2.28 2.19
11 R45 P45 -1 1 1.2 1.33 1.35 1.21
12 R46 P46 -1 1 3.7 2.31 2.02 1.91
13 R47 P47 -1 1 3.8 2.67 2.42 2.33
14 R48 P48 -1 1 4.4 2.61 2.20 2.06
15 R49 P49 -1 1 4.2 1.17 1.15 1.15
16 R51 P51 -1 1 1.6 0.01 0.22 0.19
17 R52 P52 -1 1 4.2 1.26 1.23 1.23
18 R56 P56 -1 1 5.9 1.76 1.68 1.75
19 R57 P51 -1 1 5.8 1.25 1.09 1.06
20 R60 P60 -1 1 8.6 1.86 1.59 1.60
MD 1.81 1.69 1.65
MAD 1.81 1.69 1.65
RMSD 1.99 1.83 1.78