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CDIE20 results

Density functional: B1LYP

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 1.87 1.57 1.68
2 R21 P20 -1 1 4.4 1.28 1.03 1.26
3 R22 P22 -1 1 -5.9 0.88 0.25 0.48
4 R25 P25 -1 1 -4.8 2.60 2.08 1.92
5 R26 P26 -1 1 -2.5 2.03 1.62 1.74
6 R28 P26 -1 1 4.0 1.33 0.99 1.21
7 R29 P25 -1 1 4.5 1.91 1.37 1.41
8 R40 P40 -1 1 1.7 0.14 0.46 0.51
9 R43 P43 -1 1 2.9 0.18 0.42 0.43
10 R44 P44 -1 1 3.7 1.35 0.79 0.86
11 R45 P45 -1 1 1.2 0.73 0.64 0.52
12 R46 P46 -1 1 3.7 1.27 0.62 0.66
13 R47 P47 -1 1 3.8 1.49 0.89 0.97
14 R48 P48 -1 1 4.4 1.63 0.78 0.78
15 R49 P49 -1 1 4.2 0.75 0.75 0.72
16 R51 P51 -1 1 1.6 -0.13 0.34 0.14
17 R52 P52 -1 1 4.2 0.79 0.77 0.74
18 R56 P56 -1 1 5.9 1.06 1.03 1.10
19 R57 P51 -1 1 5.8 -0.05 -0.43 -0.33
20 R60 P60 -1 1 8.6 1.00 0.45 0.63
MD 1.11 0.82 0.87
MAD 1.12 0.86 0.91
RMSD 1.31 0.98 1.03