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CDIE20 results

Density functional: B3P86

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 2.57 2.40 2.46
2 R21 P20 -1 1 4.4 1.35 1.23 1.35
3 R22 P22 -1 1 -5.9 1.14 0.77 0.90
4 R25 P25 -1 1 -4.8 2.94 2.57 2.54
5 R26 P26 -1 1 -2.5 2.70 2.42 2.48
6 R28 P26 -1 1 4.0 1.42 1.23 1.34
7 R29 P25 -1 1 4.5 1.63 1.26 1.32
8 R40 P40 -1 1 1.7 0.16 0.48 0.44
9 R43 P43 -1 1 2.9 0.12 0.24 0.27
10 R44 P44 -1 1 3.7 1.89 1.52 1.56
11 R45 P45 -1 1 1.2 0.91 0.91 0.81
12 R46 P46 -1 1 3.7 1.75 1.32 1.31
13 R47 P47 -1 1 3.8 2.06 1.67 1.71
14 R48 P48 -1 1 4.4 2.05 1.43 1.44
15 R49 P49 -1 1 4.2 0.77 0.75 0.73
16 R51 P51 -1 1 1.6 -0.32 0.02 -0.13
17 R52 P52 -1 1 4.2 0.84 0.80 0.79
18 R56 P56 -1 1 5.9 1.35 1.30 1.32
19 R57 P51 -1 1 5.8 0.67 0.40 0.46
20 R60 P60 -1 1 8.6 1.34 0.95 1.05
MD 1.37 1.18 1.21
MAD 1.40 1.18 1.22
RMSD 1.61 1.37 1.40