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MCONF results

Density functional: PKZB

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 -1.23 0.92
2 1 3 -1 1 1.74 -0.69 0.14
3 1 4 -1 1 1.16 -1.89 0.65
4 1 5 -1 1 2.20 -0.42 -0.77
5 1 6 -1 1 2.20 -0.41 -0.13
6 1 7 -1 1 2.68 0.36 -0.22
7 1 8 -1 1 2.92 -0.56 -0.78
8 1 9 -1 1 2.23 -2.04 0.57
9 1 10 -1 1 2.84 -0.86 -0.76
10 1 11 -1 1 4.24 -0.13 0.53
11 1 12 -1 1 4.45 -0.24 0.26
12 1 13 -1 1 3.60 -1.52 1.94
13 1 14 -1 1 2.25 -2.53 1.16
14 1 15 -1 1 3.74 -1.56 1.92
15 1 16 -1 1 5.00 -0.14 1.10
16 1 17 -1 1 5.11 0.94 1.22
17 1 18 -1 1 3.18 -2.34 0.79
18 1 19 -1 1 3.83 -1.17 -0.96
19 1 20 -1 1 3.80 -2.35 -0.18
20 1 21 -1 1 3.11 -2.69 1.08
21 1 22 -1 1 5.27 -0.59 0.47
22 1 23 -1 1 5.31 -0.57 0.45
23 1 24 -1 1 4.50 -2.28 2.34
24 1 25 -1 1 3.85 -2.49 0.36
25 1 26 -1 1 4.55 -2.20 2.39
26 1 27 -1 1 4.76 -2.53 -0.25
27 1 28 -1 1 4.37 -2.29 -0.01
28 1 29 -1 1 5.27 -1.96 1.75
29 1 30 -1 1 5.67 -0.86 -0.70
30 1 31 -1 1 4.86 -2.75 0.34
31 1 32 -1 1 6.24 -2.03 1.08
32 1 33 -1 1 6.26 -2.04 1.06
33 1 34 -1 1 5.85 -1.98 -0.45
34 1 35 -1 1 5.37 -2.65 -0.37
35 1 36 -1 1 5.53 -2.71 -0.02
36 1 37 -1 1 7.53 -0.46 0.76
37 1 38 -1 1 5.88 -2.96 0.24
38 1 39 -1 1 5.58 -2.81 0.06
39 1 40 -1 1 6.98 -2.17 1.35
40 1 41 -1 1 7.07 -2.19 1.31
41 1 42 -1 1 6.39 -2.81 -0.47
42 1 43 -1 1 7.32 -2.48 1.55
43 1 44 -1 1 7.39 -2.43 1.59
44 1 45 -1 1 6.18 -3.09 0.02
45 1 46 -1 1 7.82 -2.26 0.94
46 1 47 -1 1 7.89 -2.28 0.90
47 1 48 -1 1 6.74 -3.02 -0.08
48 1 49 -1 1 8.19 -2.47 1.32
49 1 50 -1 1 8.20 -2.46 1.34
50 1 51 -1 1 7.28 -3.27 -0.10
51 1 52 -1 1 8.75 -2.75 1.27
MD -1.79 0.57
MAD 1.84 0.81
RMSD 2.06 1.01