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MCONF results

Density functional: M052X

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 1 2 -1 1 0.39 -0.12 0.32
2 1 3 -1 1 1.74 0.13 0.36
3 1 4 -1 1 1.16 -0.03 0.41
4 1 5 -1 1 2.20 0.24 0.16
5 1 6 -1 1 2.20 0.20 0.41
6 1 7 -1 1 2.68 0.32 0.26
7 1 8 -1 1 2.92 0.20 0.26
8 1 9 -1 1 2.23 -0.07 0.43
9 1 10 -1 1 2.84 0.02 0.17
10 1 11 -1 1 4.24 0.32 0.38
11 1 12 -1 1 4.45 0.24 0.17
12 1 13 -1 1 3.60 0.06 0.53
13 1 14 -1 1 2.25 -0.03 0.69
14 1 15 -1 1 3.74 0.06 0.53
15 1 16 -1 1 5.00 0.28 0.49
16 1 17 -1 1 5.11 0.45 0.38
17 1 18 -1 1 3.18 -0.03 0.65
18 1 19 -1 1 3.83 -0.13 0.09
19 1 20 -1 1 3.80 0.04 0.53
20 1 21 -1 1 3.11 -0.11 0.68
21 1 22 -1 1 5.27 0.07 0.27
22 1 23 -1 1 5.31 0.06 0.22
23 1 24 -1 1 4.50 -0.03 0.73
24 1 25 -1 1 3.85 -0.38 0.40
25 1 26 -1 1 4.55 0.02 0.77
26 1 27 -1 1 4.76 -0.02 0.55
27 1 28 -1 1 4.37 0.16 0.51
28 1 29 -1 1 5.27 -0.27 0.47
29 1 30 -1 1 5.67 0.42 0.51
30 1 31 -1 1 4.86 0.09 0.70
31 1 32 -1 1 6.24 0.10 0.64
32 1 33 -1 1 6.26 0.11 0.63
33 1 34 -1 1 5.85 0.30 0.71
34 1 35 -1 1 5.37 -0.30 0.43
35 1 36 -1 1 5.53 0.05 0.62
36 1 37 -1 1 7.53 0.55 0.64
37 1 38 -1 1 5.88 0.01 0.71
38 1 39 -1 1 5.58 -0.18 0.58
39 1 40 -1 1 6.98 0.17 0.69
40 1 41 -1 1 7.07 0.18 0.68
41 1 42 -1 1 6.39 -0.32 0.47
42 1 43 -1 1 7.32 0.11 0.78
43 1 44 -1 1 7.39 0.12 0.78
44 1 45 -1 1 6.18 -0.29 0.55
45 1 46 -1 1 7.82 -0.22 0.53
46 1 47 -1 1 7.89 -0.19 0.56
47 1 48 -1 1 6.74 -0.23 0.58
48 1 49 -1 1 8.19 -0.10 0.68
49 1 50 -1 1 8.20 -0.10 0.67
50 1 51 -1 1 7.28 -0.32 0.57
51 1 52 -1 1 8.75 -0.21 0.65
MD 0.03 0.51
MAD 0.17 0.51
RMSD 0.21 0.54