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MCONF results

Density functional: DSD-PBEB95

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 -0.36 0.57
2 1 3 -1 1 1.74 -0.19 0.13
3 1 4 -1 1 1.16 -0.32 0.55
4 1 5 -1 1 2.20 -0.03 -0.24
5 1 6 -1 1 2.20 -0.12 0.23
6 1 7 -1 1 2.68 0.03 -0.14
7 1 8 -1 1 2.92 -0.20 -0.33
8 1 9 -1 1 2.23 -0.27 0.63
9 1 10 -1 1 2.84 -0.29 -0.19
10 1 11 -1 1 4.24 0.15 0.03
11 1 12 -1 1 4.45 0.14 -0.06
12 1 13 -1 1 3.60 0.05 0.94
13 1 14 -1 1 2.25 -0.52 0.78
14 1 15 -1 1 3.74 0.14 1.03
15 1 16 -1 1 5.00 0.31 0.69
16 1 17 -1 1 5.11 0.37 0.16
17 1 18 -1 1 3.18 -0.46 0.71
18 1 19 -1 1 3.83 -0.38 -0.23
19 1 20 -1 1 3.80 -0.35 0.48
20 1 21 -1 1 3.11 -0.58 0.76
21 1 22 -1 1 5.27 0.04 0.18
22 1 23 -1 1 5.31 0.11 0.23
23 1 24 -1 1 4.50 -0.14 1.19
24 1 25 -1 1 3.85 -0.66 0.58
25 1 26 -1 1 4.55 -0.17 1.16
26 1 27 -1 1 4.76 -0.37 0.51
27 1 28 -1 1 4.37 -0.48 0.38
28 1 29 -1 1 5.27 -0.29 0.94
29 1 30 -1 1 5.67 -0.26 -0.26
30 1 31 -1 1 4.86 -0.60 0.54
31 1 32 -1 1 6.24 -0.02 0.85
32 1 33 -1 1 6.26 0.06 0.91
33 1 34 -1 1 5.85 -0.34 0.27
34 1 35 -1 1 5.37 -0.78 0.34
35 1 36 -1 1 5.53 -0.61 0.41
36 1 37 -1 1 7.53 0.14 0.19
37 1 38 -1 1 5.88 -0.66 0.52
38 1 39 -1 1 5.58 -0.76 0.47
39 1 40 -1 1 6.98 -0.18 0.82
40 1 41 -1 1 7.07 -0.16 0.83
41 1 42 -1 1 6.39 -0.77 0.37
42 1 43 -1 1 7.32 -0.24 0.93
43 1 44 -1 1 7.39 -0.24 0.93
44 1 45 -1 1 6.18 -0.78 0.60
45 1 46 -1 1 7.82 -0.25 0.88
46 1 47 -1 1 7.89 -0.34 0.79
47 1 48 -1 1 6.74 -0.77 0.50
48 1 49 -1 1 8.19 -0.40 0.85
49 1 50 -1 1 8.20 -0.28 0.98
50 1 51 -1 1 7.28 -0.77 0.64
51 1 52 -1 1 8.75 -0.40 1.00
MD -0.28 0.51
MAD 0.34 0.57
RMSD 0.41 0.65