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CDIE20 results

Density functional: TPSS1KCIS

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 2.78 2.44 2.60
2 R21 P20 -1 1 4.4 1.74 1.43 1.71
3 R22 P22 -1 1 -5.9 1.78 1.10 1.42
4 R25 P25 -1 1 -4.8 3.37 2.81 2.72
5 R26 P26 -1 1 -2.5 2.89 2.48 2.65
6 R28 P26 -1 1 4.0 1.79 1.42 1.69
7 R29 P25 -1 1 4.5 2.12 1.54 1.65
8 R40 P40 -1 1 1.7 0.43 0.73 0.75
9 R43 P43 -1 1 2.9 0.45 0.72 0.69
10 R44 P44 -1 1 3.7 2.06 1.49 1.62
11 R45 P45 -1 1 1.2 1.22 1.10 1.00
12 R46 P46 -1 1 3.7 1.94 1.31 1.39
13 R47 P47 -1 1 3.8 2.21 1.60 1.74
14 R48 P48 -1 1 4.4 2.26 1.41 1.49
15 R49 P49 -1 1 4.2 1.02 1.04 1.01
16 R51 P51 -1 1 1.6 0.04 0.55 0.28
17 R52 P52 -1 1 4.2 1.06 1.05 1.02
18 R56 P56 -1 1 5.9 1.38 1.42 1.47
19 R57 P51 -1 1 5.8 0.80 0.38 0.58
20 R60 P60 -1 1 8.6 1.63 1.09 1.34
MD 1.65 1.36 1.44
MAD 1.65 1.36 1.44
RMSD 1.85 1.49 1.58