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ISO34 results

Density functional: mPW1LYP

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)
1 E1 P1 -1 1 1.49 -3.15 -3.08
2 E1 P2 -1 1 23.36 1.03 0.84
3 E3 P3 -1 1 7.27 2.20 2.18
4 E4 P4 -1 1 1.06 0.19 0.07
5 E5 E4 -1 1 1.23 -0.76 -0.31
6 E4 P6 -1 1 2.49 0.52 0.14
7 E7 P7 -1 1 11.15 4.65 4.43
8 E8 P8 -1 1 22.59 -2.56 -2.39
9 E9 P9 -1 1 6.54 1.38 1.12
10 E10 P10 -1 1 3.80 -2.72 -1.21
11 E11 P11 -1 1 1.58 -8.61 -3.77
12 E12 P12 -1 1 45.65 11.81 11.01
13 E13 P13 -1 1 36.85 2.12 1.18
14 E14 P14 -1 1 24.58 -1.25 -1.37
15 E15 P15 -1 1 8.25 -0.91 -0.71
16 E16 P16 -1 1 10.02 2.71 2.67
17 E17 P17 -1 1 28.51 -2.58 -1.89
18 E18 P18 -1 1 11.68 -0.03 -0.38
19 E19 E20 -1 1 4.58 -0.35 -0.31
20 E20 P20 -1 1 18.12 0.41 0.30
21 E21 P21 -1 1 1.16 0.07 -0.06
22 E22 E21 -1 1 4.65 -0.86 -0.79
23 E23 P23 -1 1 5.54 -0.85 -0.68
24 E24 P24 -1 1 12.26 -1.72 -1.66
25 E25 P25 -1 1 26.14 2.16 2.15
26 E26 P26 -1 1 17.14 -1.16 -1.41
27 E27 P27 -1 1 66.06 -4.35 -3.59
28 E28 P28 -1 1 31.26 2.39 2.27
29 E29 P29 -1 1 13.05 -4.13 -4.10
30 E30 P30 -1 1 9.98 -0.17 -0.39
31 E31 P31 -1 1 15.23 -4.31 -3.81
32 E32 P32 -1 1 6.64 -3.21 -3.27
33 E33 P33 -1 1 8.70 1.30 -0.11
34 E34 P34 -1 1 6.77 -0.13 -0.11
MD -0.32 -0.21
MAD 2.26 1.87
RMSD 3.31 2.79