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CDIE20 results

Density functional: τHCTH

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 3.44 2.99 3.12
2 R21 P20 -1 1 4.4 2.23 1.84 2.12
3 R22 P22 -1 1 -5.9 2.81 1.95 2.18
4 R25 P25 -1 1 -4.8 4.44 3.61 3.44
5 R26 P26 -1 1 -2.5 3.57 3.01 3.18
6 R28 P26 -1 1 4.0 2.32 1.85 2.10
7 R29 P25 -1 1 4.5 2.94 2.13 2.21
8 R40 P40 -1 1 1.7 0.71 1.10 1.12
9 R43 P43 -1 1 2.9 0.53 0.87 0.90
10 R44 P44 -1 1 3.7 2.77 1.97 2.06
11 R45 P45 -1 1 1.2 1.58 1.36 1.14
12 R46 P46 -1 1 3.7 2.59 1.71 1.74
13 R47 P47 -1 1 3.8 2.94 2.10 2.20
14 R48 P48 -1 1 4.4 3.16 1.98 2.00
15 R49 P49 -1 1 4.2 1.21 1.26 1.20
16 R51 P51 -1 1 1.6 -0.19 0.52 0.16
17 R52 P52 -1 1 4.2 1.28 1.31 1.26
18 R56 P56 -1 1 5.9 1.77 1.76 1.94
19 R57 P51 -1 1 5.8 1.11 0.59 0.80
20 R60 P60 -1 1 8.6 2.11 1.43 1.73
MD 2.17 1.77 1.83
MAD 2.18 1.77 1.83
RMSD 2.44 1.93 2.00