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CDIE20 results

Density functional: B98

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 1.55 1.24 1.41
2 R21 P20 -1 1 4.4 1.20 0.92 1.18
3 R22 P22 -1 1 -5.9 0.61 -0.01 0.31
4 R25 P25 -1 1 -4.8 2.08 1.57 1.55
5 R26 P26 -1 1 -2.5 1.68 1.31 1.46
6 R28 P26 -1 1 4.0 1.24 0.90 1.15
7 R29 P25 -1 1 4.5 1.64 1.10 1.25
8 R40 P40 -1 1 1.7 0.20 0.48 0.47
9 R43 P43 -1 1 2.9 0.22 0.46 0.42
10 R44 P44 -1 1 3.7 1.52 0.99 1.15
11 R45 P45 -1 1 1.2 0.83 0.72 0.65
12 R46 P46 -1 1 3.7 1.46 0.89 0.99
13 R47 P47 -1 1 3.8 1.67 1.12 1.27
14 R48 P48 -1 1 4.4 1.71 0.93 1.06
15 R49 P49 -1 1 4.2 0.78 0.79 0.76
16 R51 P51 -1 1 1.6 -0.07 0.40 0.13
17 R52 P52 -1 1 4.2 0.81 0.81 0.78
18 R56 P56 -1 1 5.9 1.08 1.11 1.14
19 R57 P51 -1 1 5.8 0.17 -0.21 -0.02
20 R60 P60 -1 1 8.6 1.14 0.64 0.88
MD 1.08 0.81 0.90
MAD 1.08 0.83 0.90
RMSD 1.23 0.91 1.00