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ISO34 results

Density functional: r2SCAN-3c

Reference values and deviations (result - reference) of the respective functional in kcal/mol.

# Systems Stoichiometry Ref. r2SCAN-3c
1 E1 P1 -1 1 1.49 -4.91
2 E1 P2 -1 1 23.36 -3.53
3 E3 P3 -1 1 7.27 -1.62
4 E4 P4 -1 1 1.06 0.09
5 E5 E4 -1 1 1.23 -0.23
6 E4 P6 -1 1 2.49 0.46
7 E7 P7 -1 1 11.15 0.69
8 E8 P8 -1 1 22.59 -1.34
9 E9 P9 -1 1 6.54 1.79
10 E10 P10 -1 1 3.80 -0.08
11 E11 P11 -1 1 1.58 -1.13
12 E12 P12 -1 1 45.65 5.76
13 E13 P13 -1 1 36.85 3.43
14 E14 P14 -1 1 24.58 2.30
15 E15 P15 -1 1 8.25 1.20
16 E16 P16 -1 1 10.02 -1.81
17 E17 P17 -1 1 28.51 1.47
18 E18 P18 -1 1 11.68 -1.18
19 E19 E20 -1 1 4.58 -0.73
20 E20 P20 -1 1 18.12 -0.30
21 E21 P21 -1 1 1.16 0.38
22 E22 E21 -1 1 4.65 -0.28
23 E23 P23 -1 1 5.54 0.33
24 E24 P24 -1 1 12.26 0.62
25 E25 P25 -1 1 26.14 -0.11
26 E26 P26 -1 1 17.14 1.12
27 E27 P27 -1 1 66.06 -3.09
28 E28 P28 -1 1 31.26 1.57
29 E29 P29 -1 1 13.05 -0.69
30 E30 P30 -1 1 9.98 1.57
31 E31 P31 -1 1 15.23 0.55
32 E32 P32 -1 1 6.64 -0.31
33 E33 P33 -1 1 8.70 0.39
34 E34 P34 -1 1 6.77 1.65
MD 0.12
MAD 1.37
RMSD 1.92