back to GMTKN55 main page   back to GMTKN55 database sorted by functionals
back to S66 main page   back to SOGGA11X main page

S66 results

Density functional: SOGGA11X

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.

/table>
# Systems Stoichiometry Ref. without D3(BJ)
1 01A 01B 01 1 1 -1 4.92 -0.12 0.29
2 02A 02B 02 1 1 -1 5.59 -0.64 0.09
3 03A 03B 03 1 1 -1 6.91 -0.36 0.41
4 04A 04B 04 1 1 -1 8.10 -0.85 0.27
5 05A 05B 05 1 1 -1 5.76 -0.96 0.02
6 06A 06B 06 1 1 -1 7.55 -1.23 0.16
7 07A 07B 07 1 1 -1 8.23 -1.19 0.39
8 08A 08B 08 1 1 -1 5.01 -0.37 0.19
9 09A 09B 09 1 1 -1 3.06 -1.52 -0.34
10 10A 10B 10 1 1 -1 4.16 -1.57 -0.07
11 11A 11B 11 1 1 -1 5.42 -2.05 0.20
12 12A 12B 12 1 1 -1 7.27 -0.77 0.15
13 13A 13B 13 1 1 -1 6.19 -1.78 -0.11
14 14A 14B 14 1 1 -1 7.45 -1.89 0.14
15 15A 15B 15 1 1 -1 8.63 -2.24 0.32
16 16A 16B 16 1 1 -1 5.12 -0.85 -0.03
17 17A 17B 17 1 1 -1 17.18 -1.30 1.18
18 18A 18B 18 1 1 -1 6.86 -0.66 0.32
19 19A 19B 19 1 1 -1 7.41 -1.25 0.22
20 20A 20B 20 1 1 -1 19.09 -0.15 1.73
21 21A 21B 21 1 1 -1 16.26 -0.78 1.19
22 22A 22B 22 1 1 -1 19.49 -0.62 1.53
23 23A 23B 23 1 1 -1 19.19 -0.95 1.31
24 24A 24B 24 1 1 -1 2.82 -3.90 0.78
25 25A 25B 25 1 1 -1 3.90 -4.12 0.87
26 26A 26B 26 1 1 -1 9.83 -6.05 1.30
27 27A 27B 27 1 1 -1 3.44 -4.06 0.81
28 28A 28B 28 1 1 -1 5.71 -5.33 0.96
29 29A 29B 29 1 1 -1 6.82 -5.22 0.97
30 30A 30B 30 1 1 -1 1.43 -2.34 0.37
31 31A 31B 31 1 1 -1 3.38 -2.88 0.41
32 32A 32B 32 1 1 -1 3.74 -2.50 0.46
33 33A 33B 33 1 1 -1 1.87 -2.43 0.38
34 34A 34B 34 1 1 -1 3.78 -4.54 0.14
35 35A 35B 35 1 1 -1 2.61 -3.37 -0.15
36 36A 36B 36 1 1 -1 1.78 -2.72 -0.38
37 37A 37B 37 1 1 -1 2.40 -3.12 -0.04
38 38A 38B 38 1 1 -1 3.00 -3.63 -0.03
39 39A 39B 39 1 1 -1 3.58 -3.83 0.47
40 40A 40B 40 1 1 -1 2.90 -3.16 0.24
41 41A 41B 41 1 1 -1 4.85 -5.09 0.41
42 42A 42B 42 1 1 -1 4.14 -4.59 0.25
43 43A 43B 43 1 1 -1 3.71 -3.87 0.09
44 44A 44B 44 1 1 -1 2.01 -2.59 -0.15
45 45A 45B 45 1 1 -1 1.75 -2.29 -0.16
46 46A 46B 46 1 1 -1 4.26 -4.29 0.22
47 47A 47B 47 1 1 -1 2.88 -2.85 0.14
48 48A 48B 48 1 1 -1 3.54 -2.72 0.29
49 49A 49B 49 1 1 -1 3.33 -2.81 0.23
50 50A 50B 50 1 1 -1 2.87 -1.79 0.16
51 51A 51B 51 1 1 -1 1.52 -0.72 0.00
52 52A 52B 52 1 1 -1 4.71 -2.58 0.02
53 53A 53B 53 1 1 -1 4.36 -2.17 0.14
54 54A 54B 54 1 1 -1 3.28 -1.40 0.25
55 55A 55B 55 1 1 -1 4.19 -2.54 0.18
56 56A 56B 56 1 1 -1 3.23 -2.64 0.17
57 57A 57B 57 1 1 -1 5.28 -3.60 0.38
58 58A 58B 58 1 1 -1 4.15 -1.72 -0.03
59 59A 59B 59 1 1 -1 2.85 -0.32 0.09
60 60A 60B 60 1 1 -1 4.87 -0.82 0.57
61 61A 61B 61 1 1 -1 2.91 -3.47 -0.19
62 62A 62B 62 1 1 -1 3.53 -3.48 0.11
63 63A 63B 63 1 1 -1 3.80 -3.18 0.37
64 64A 64B 64 1 1 -1 3.00 -2.32 0.01
65 65A 65B 65 1 1 -1 3.99 -0.65 0.34
66 66A 66B 66 1 1 -1 3.97 -2.49 0.07
MD -2.34 0.32
MAD 2.34 0.37
RMSD 2.74 0.54