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MCONF results

Density functional: PW1PW

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 -1.57 0.02
2 1 3 -1 1 1.74 -0.67 -0.13
3 1 4 -1 1 1.16 -1.59 0.04
4 1 5 -1 1 2.20 0.24 0.10
5 1 6 -1 1 2.20 -0.80 -0.42
6 1 7 -1 1 2.68 0.04 -0.28
7 1 8 -1 1 2.92 -0.03 -0.01
8 1 9 -1 1 2.23 -1.76 -0.04
9 1 10 -1 1 2.84 -0.56 -0.26
10 1 11 -1 1 4.24 0.59 0.59
11 1 12 -1 1 4.45 0.58 0.46
12 1 13 -1 1 3.60 -1.13 0.53
13 1 14 -1 1 2.25 -2.38 -0.03
14 1 15 -1 1 3.74 -1.15 0.53
15 1 16 -1 1 5.00 -0.42 0.03
16 1 17 -1 1 5.11 0.64 0.23
17 1 18 -1 1 3.18 -2.20 -0.09
18 1 19 -1 1 3.83 -0.86 -0.44
19 1 20 -1 1 3.80 -1.74 -0.21
20 1 21 -1 1 3.11 -2.60 -0.14
21 1 22 -1 1 5.27 -0.19 0.17
22 1 23 -1 1 5.31 -0.14 0.19
23 1 24 -1 1 4.50 -1.95 0.45
24 1 25 -1 1 3.85 -2.61 -0.35
25 1 26 -1 1 4.55 -1.96 0.43
26 1 27 -1 1 4.76 -1.95 -0.32
27 1 28 -1 1 4.37 -1.94 -0.43
28 1 29 -1 1 5.27 -1.96 0.25
29 1 30 -1 1 5.67 -0.48 -0.36
30 1 31 -1 1 4.86 -2.37 -0.34
31 1 32 -1 1 6.24 -1.32 0.26
32 1 33 -1 1 6.26 -1.30 0.27
33 1 34 -1 1 5.85 -1.52 -0.43
34 1 35 -1 1 5.37 -2.42 -0.50
35 1 36 -1 1 5.53 -2.29 -0.46
36 1 37 -1 1 7.53 0.06 0.25
37 1 38 -1 1 5.88 -2.62 -0.47
38 1 39 -1 1 5.58 -2.59 -0.42
39 1 40 -1 1 6.98 -1.66 0.10
40 1 41 -1 1 7.07 -1.65 0.09
41 1 42 -1 1 6.39 -2.60 -0.61
42 1 43 -1 1 7.32 -1.96 0.13
43 1 44 -1 1 7.39 -1.99 0.09
44 1 45 -1 1 6.18 -2.86 -0.44
45 1 46 -1 1 7.82 -1.91 0.04
46 1 47 -1 1 7.89 -1.93 0.01
47 1 48 -1 1 6.74 -2.79 -0.53
48 1 49 -1 1 8.19 -2.15 0.06
49 1 50 -1 1 8.20 -2.13 0.08
50 1 51 -1 1 7.28 -3.05 -0.55
51 1 52 -1 1 8.75 -2.41 0.04
MD -1.49 -0.06
MAD 1.57 0.27
RMSD 1.79 0.33