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MCONF results

Density functional: MN12SX

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(BJ)
1 1 2 -1 1 0.39 0.20 0.98
2 1 3 -1 1 1.74 -0.02 0.26
3 1 4 -1 1 1.16 0.11 0.83
4 1 5 -1 1 2.20 -0.34 -0.53
5 1 6 -1 1 2.20 0.03 0.37
6 1 7 -1 1 2.68 -0.35 -0.50
7 1 8 -1 1 2.92 -0.44 -0.53
8 1 9 -1 1 2.23 -0.08 0.69
9 1 10 -1 1 2.84 -0.37 -0.22
10 1 11 -1 1 4.24 0.22 0.13
11 1 12 -1 1 4.45 0.17 -0.02
12 1 13 -1 1 3.60 0.71 1.44
13 1 14 -1 1 2.25 -0.03 1.09
14 1 15 -1 1 3.74 0.71 1.45
15 1 16 -1 1 5.00 0.49 0.85
16 1 17 -1 1 5.11 0.48 0.30
17 1 18 -1 1 3.18 -0.25 0.79
18 1 19 -1 1 3.83 -0.64 -0.42
19 1 20 -1 1 3.80 -0.22 0.54
20 1 21 -1 1 3.11 -0.18 1.02
21 1 22 -1 1 5.27 0.17 0.37
22 1 23 -1 1 5.31 0.18 0.35
23 1 24 -1 1 4.50 0.46 1.62
24 1 25 -1 1 3.85 -0.60 0.53
25 1 26 -1 1 4.55 0.56 1.71
26 1 27 -1 1 4.76 -0.38 0.45
27 1 28 -1 1 4.37 -0.26 0.47
28 1 29 -1 1 5.27 0.19 1.29
29 1 30 -1 1 5.67 -0.63 -0.62
30 1 31 -1 1 4.86 -0.35 0.65
31 1 32 -1 1 6.24 0.41 1.20
32 1 33 -1 1 6.26 0.36 1.15
33 1 34 -1 1 5.85 -0.34 0.24
34 1 35 -1 1 5.37 -0.88 0.18
35 1 36 -1 1 5.53 -0.62 0.29
36 1 37 -1 1 7.53 0.12 0.15
37 1 38 -1 1 5.88 -0.52 0.56
38 1 39 -1 1 5.58 -0.64 0.50
39 1 40 -1 1 6.98 0.19 1.06
40 1 41 -1 1 7.07 0.19 1.04
41 1 42 -1 1 6.39 -1.02 0.09
42 1 43 -1 1 7.32 0.16 1.21
43 1 44 -1 1 7.39 0.25 1.29
44 1 45 -1 1 6.18 -0.94 0.32
45 1 46 -1 1 7.82 -0.20 0.88
46 1 47 -1 1 7.89 -0.23 0.85
47 1 48 -1 1 6.74 -0.84 0.35
48 1 49 -1 1 8.19 -0.06 1.10
49 1 50 -1 1 8.20 -0.04 1.12
50 1 51 -1 1 7.28 -1.09 0.21
51 1 52 -1 1 8.75 -0.31 0.97
MD -0.13 0.59
MAD 0.38 0.70
RMSD 0.46 0.82