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MCONF results

Density functional: HISS

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 1 2 -1 1 0.39 -1.46 -0.01 0.19
2 1 3 -1 1 1.74 -0.49 0.07 0.07
3 1 4 -1 1 1.16 -1.46 0.04 0.01
4 1 5 -1 1 2.20 0.32 0.17 -0.11
5 1 6 -1 1 2.20 -0.53 -0.06 0.15
6 1 7 -1 1 2.68 0.06 -0.19 -0.28
7 1 8 -1 1 2.92 0.11 0.13 -0.19
8 1 9 -1 1 2.23 -1.60 -0.02 -0.06
9 1 10 -1 1 2.84 -0.42 -0.10 -0.23
10 1 11 -1 1 4.24 0.63 0.61 0.30
11 1 12 -1 1 4.45 0.71 0.51 0.25
12 1 13 -1 1 3.60 -1.03 0.47 0.45
13 1 14 -1 1 2.25 -2.17 0.02 0.10
14 1 15 -1 1 3.74 -1.02 0.49 0.47
15 1 16 -1 1 5.00 -0.22 0.27 0.48
16 1 17 -1 1 5.11 0.73 0.39 0.30
17 1 18 -1 1 3.18 -1.99 -0.03 0.09
18 1 19 -1 1 3.83 -0.67 -0.25 -0.39
19 1 20 -1 1 3.80 -1.48 -0.03 0.01
20 1 21 -1 1 3.11 -2.35 -0.06 0.01
21 1 22 -1 1 5.27 -0.05 0.30 0.19
22 1 23 -1 1 5.31 -0.02 0.30 0.19
23 1 24 -1 1 4.50 -1.82 0.39 0.48
24 1 25 -1 1 3.85 -2.45 -0.29 -0.19
25 1 26 -1 1 4.55 -1.76 0.45 0.54
26 1 27 -1 1 4.76 -1.65 -0.11 -0.08
27 1 28 -1 1 4.37 -1.60 -0.24 -0.05
28 1 29 -1 1 5.27 -1.86 0.22 0.34
29 1 30 -1 1 5.67 -0.23 -0.08 -0.29
30 1 31 -1 1 4.86 -2.08 -0.17 -0.06
31 1 32 -1 1 6.24 -1.07 0.40 0.44
32 1 33 -1 1 6.26 -1.08 0.38 0.42
33 1 34 -1 1 5.85 -1.09 -0.02 0.03
34 1 35 -1 1 5.37 -2.25 -0.33 -0.16
35 1 36 -1 1 5.53 -2.03 -0.33 -0.20
36 1 37 -1 1 7.53 0.25 0.43 0.24
37 1 38 -1 1 5.88 -2.27 -0.25 -0.15
38 1 39 -1 1 5.58 -2.38 -0.27 -0.12
39 1 40 -1 1 6.98 -1.43 0.18 0.33
40 1 41 -1 1 7.07 -1.41 0.17 0.32
41 1 42 -1 1 6.39 -2.38 -0.39 -0.24
42 1 43 -1 1 7.32 -1.72 0.23 0.35
43 1 44 -1 1 7.39 -1.68 0.25 0.37
44 1 45 -1 1 6.18 -2.66 -0.31 -0.15
45 1 46 -1 1 7.82 -1.77 0.13 0.31
46 1 47 -1 1 7.89 -1.78 0.12 0.30
47 1 48 -1 1 6.74 -2.55 -0.37 -0.23
48 1 49 -1 1 8.19 -1.96 0.15 0.31
49 1 50 -1 1 8.20 -1.96 0.15 0.31
50 1 51 -1 1 7.28 -2.80 -0.38 -0.23
51 1 52 -1 1 8.75 -2.22 0.12 0.30
MD -1.30 0.06 0.10
MAD 1.41 0.23 0.24
RMSD 1.61 0.28 0.27