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RSE43 results

Density functional: B1P86

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 E2 P1 E1 P2 -1 -1 1 1 -15.3 -1.08 -0.74 -0.91
2 E3 P1 E1 P3 -1 -1 1 1 2.0 -3.87 -3.48 -3.55
3 E4 P1 E1 P4 -1 -1 1 1 6.9 -1.17 -0.90 -1.03
4 E5 P1 E1 P5 -1 -1 1 1 -0.7 -1.86 -1.14 -1.53
5 E6 P1 E1 P6 -1 -1 1 1 0.1 -1.20 -0.70 -1.01
6 E7 P1 E1 P7 -1 -1 1 1 1.4 -1.12 -0.67 -0.99
7 E8 P1 E1 P8 -1 -1 1 1 -3.0 -1.44 -1.08 -1.28
8 E9 P1 E1 P9 -1 -1 1 1 -1.5 -0.88 -0.58 -0.77
9 E10 P1 E1 P10 -1 -1 1 1 -2.0 -1.11 -0.80 -0.99
10 E11 P1 E1 P11 -1 -1 1 1 -17.7 -1.64 -1.41 -1.52
11 E12 P1 E1 P12 -1 -1 1 1 -10.1 -1.31 -1.05 -1.20
12 E13 P1 E1 P13 -1 -1 1 1 -8.4 -1.86 -1.72 -1.77
13 E15 P1 E1 P15 -1 -1 1 1 -6.4 -1.00 -0.69 -0.85
14 E16 P1 E1 P16 -1 -1 1 1 -6.5 -1.01 -0.70 -0.86
15 E17 P1 E1 P17 -1 -1 1 1 -6.6 -1.11 -0.78 -0.98
16 E18 P1 E1 P18 -1 -1 1 1 -6.5 -1.04 -0.72 -0.91
17 E19 P1 E1 P19 -1 -1 1 1 -3.1 -1.05 -0.68 -0.86
18 E20 P1 E1 P20 -1 -1 1 1 -3.8 -1.01 -0.91 -1.00
19 E21 P1 E1 P21 -1 -1 1 1 -12.5 -1.14 -0.94 -1.06
20 E22 P1 E1 P22 -1 -1 1 1 4.7 -1.02 -0.77 -0.92
21 E23 P1 E1 P23 -1 -1 1 1 -13.1 -1.26 -0.94 -1.10
22 E24 P1 E1 P24 -1 -1 1 1 -11.2 -1.31 -1.08 -1.18
23 E25 P1 E1 P25 -1 -1 1 1 -8.9 -1.84 -1.55 -1.73
24 E26 P1 E1 P26 -1 -1 1 1 -13.3 -1.27 -0.79 -1.02
25 E27 P1 E1 P27 -1 -1 1 1 -3.5 -1.35 -0.98 -1.23
26 E28 P1 E1 P28 -1 -1 1 1 -3.8 -1.30 -0.98 -1.17
27 E29 P1 E1 P29 -1 -1 1 1 -2.9 -1.35 -1.12 -1.22
28 E30 P1 E1 P30 -1 -1 1 1 -6.0 -1.28 -0.97 -1.17
29 E31 P1 E1 P31 -1 -1 1 1 -6.4 -1.46 -1.02 -1.28
30 E32 P1 E1 P32 -1 -1 1 1 -4.3 -1.28 -1.16 -1.24
31 E33 P1 E1 P33 -1 -1 1 1 0.6 -0.54 -0.40 -0.38
32 E34 P1 E1 P34 -1 -1 1 1 -11.5 -0.82 -0.60 -0.66
33 E35 P1 E1 P35 -1 -1 1 1 -9.1 -0.93 -0.66 -0.74
34 E36 P1 E1 P36 -1 -1 1 1 2.4 -0.80 -0.60 -0.66
35 E37 P1 E1 P37 -1 -1 1 1 -10.1 -0.72 -0.57 -0.60
36 E38 P1 E1 P38 -1 -1 1 1 -0.4 -0.89 -0.45 -0.65
37 E39 P1 E1 P39 -1 -1 1 1 -3.5 -1.08 -0.69 -0.84
38 E40 P1 E1 P40 -1 -1 1 1 -23.1 -3.66 -3.31 -3.49
39 E41 P1 E1 P41 -1 -1 1 1 -25.1 -2.72 -2.21 -2.47
40 E42 P1 E1 P42 -1 -1 1 1 -26.4 -3.12 -2.60 -2.91
41 E43 P1 E1 P43 -1 -1 1 1 -13.1 -2.34 -2.19 -2.25
42 E44 P1 E1 P44 -1 -1 1 1 -6.7 -3.28 -2.36 -2.89
43 E45 P1 E1 P45 -1 -1 1 1 -2.3 -1.28 -0.73 -0.99
MD -1.46 -1.13 -1.30
MAD 1.46 1.13 1.30
RMSD 1.65 1.33 1.49