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RSE43 results

Density functional: M06L

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 E2 P1 E1 P2 -1 -1 1 1 -15.3 -2.70 -2.67
2 E3 P1 E1 P3 -1 -1 1 1 2.0 -8.82 -8.83
3 E4 P1 E1 P4 -1 -1 1 1 6.9 -3.90 -3.89
4 E5 P1 E1 P5 -1 -1 1 1 -0.7 -3.16 -3.16
5 E6 P1 E1 P6 -1 -1 1 1 0.1 -2.17 -2.15
6 E7 P1 E1 P7 -1 -1 1 1 1.4 -2.19 -2.19
7 E8 P1 E1 P8 -1 -1 1 1 -3.0 -2.65 -2.65
8 E9 P1 E1 P9 -1 -1 1 1 -1.5 -1.94 -1.93
9 E10 P1 E1 P10 -1 -1 1 1 -2.0 -1.97 -1.96
10 E11 P1 E1 P11 -1 -1 1 1 -17.7 -2.67 -2.66
11 E12 P1 E1 P12 -1 -1 1 1 -10.1 -2.69 -2.69
12 E13 P1 E1 P13 -1 -1 1 1 -8.4 -3.77 -3.77
13 E15 P1 E1 P15 -1 -1 1 1 -6.4 -2.61 -2.60
14 E16 P1 E1 P16 -1 -1 1 1 -6.5 -2.74 -2.73
15 E17 P1 E1 P17 -1 -1 1 1 -6.6 -2.79 -2.77
16 E18 P1 E1 P18 -1 -1 1 1 -6.5 -2.62 -2.61
17 E19 P1 E1 P19 -1 -1 1 1 -3.1 -1.82 -1.80
18 E20 P1 E1 P20 -1 -1 1 1 -3.8 -0.99 -0.99
19 E21 P1 E1 P21 -1 -1 1 1 -12.5 -1.22 -1.22
20 E22 P1 E1 P22 -1 -1 1 1 4.7 -1.62 -1.62
21 E23 P1 E1 P23 -1 -1 1 1 -13.1 -1.32 -1.31
22 E24 P1 E1 P24 -1 -1 1 1 -11.2 -2.18 -2.17
23 E25 P1 E1 P25 -1 -1 1 1 -8.9 -2.45 -2.44
24 E26 P1 E1 P26 -1 -1 1 1 -13.3 -1.34 -1.33
25 E27 P1 E1 P27 -1 -1 1 1 -3.5 -2.82 -2.81
26 E28 P1 E1 P28 -1 -1 1 1 -3.8 -1.27 -1.25
27 E29 P1 E1 P29 -1 -1 1 1 -2.9 -0.98 -0.98
28 E30 P1 E1 P30 -1 -1 1 1 -6.0 -1.71 -1.70
29 E31 P1 E1 P31 -1 -1 1 1 -6.4 -1.83 -1.81
30 E32 P1 E1 P32 -1 -1 1 1 -4.3 -1.15 -1.15
31 E33 P1 E1 P33 -1 -1 1 1 0.6 -2.62 -2.62
32 E34 P1 E1 P34 -1 -1 1 1 -11.5 -1.84 -1.83
33 E35 P1 E1 P35 -1 -1 1 1 -9.1 -2.67 -2.66
34 E36 P1 E1 P36 -1 -1 1 1 2.4 -2.39 -2.39
35 E37 P1 E1 P37 -1 -1 1 1 -10.1 -1.81 -1.81
36 E38 P1 E1 P38 -1 -1 1 1 -0.4 -2.61 -2.59
37 E39 P1 E1 P39 -1 -1 1 1 -3.5 -2.65 -2.64
38 E40 P1 E1 P40 -1 -1 1 1 -23.1 -6.07 -6.07
39 E41 P1 E1 P41 -1 -1 1 1 -25.1 -4.52 -4.51
40 E42 P1 E1 P42 -1 -1 1 1 -26.4 -4.82 -4.81
41 E43 P1 E1 P43 -1 -1 1 1 -13.1 -3.76 -3.75
42 E44 P1 E1 P44 -1 -1 1 1 -6.7 -5.74 -5.75
43 E45 P1 E1 P45 -1 -1 1 1 -2.3 -1.68 -1.65
MD -2.68 -2.67
MAD 2.68 2.67
RMSD 3.06 3.06