back to GMTKN55 main page   back to GMTKN55 database sorted by functionals
back to S66 main page   back to N12SX main page

S66 results

Density functional: N12SX

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 0.58 0.87
2 02A 02B 02 1 1 -1 5.59 0.14 0.68
3 03A 03B 03 1 1 -1 6.91 0.46 1.06
4 04A 04B 04 1 1 -1 8.10 0.02 0.86
5 05A 05B 05 1 1 -1 5.76 -0.16 0.64
6 06A 06B 06 1 1 -1 7.55 -0.28 0.85
7 07A 07B 07 1 1 -1 8.23 -0.39 0.91
8 08A 08B 08 1 1 -1 5.01 0.35 0.80
9 09A 09B 09 1 1 -1 3.06 -0.80 0.20
10 10A 10B 10 1 1 -1 4.16 -1.03 0.19
11 11A 11B 11 1 1 -1 5.42 -1.64 0.24
12 12A 12B 12 1 1 -1 7.27 0.14 0.81
13 13A 13B 13 1 1 -1 6.19 -1.08 0.38
14 14A 14B 14 1 1 -1 7.45 -1.24 0.53
15 15A 15B 15 1 1 -1 8.63 -1.69 0.58
16 16A 16B 16 1 1 -1 5.12 -0.15 0.57
17 17A 17B 17 1 1 -1 17.18 -0.25 1.88
18 18A 18B 18 1 1 -1 6.86 0.18 0.97
19 19A 19B 19 1 1 -1 7.41 -0.41 0.86
20 20A 20B 20 1 1 -1 19.09 1.37 2.82
21 21A 21B 21 1 1 -1 16.26 0.08 1.67
22 22A 22B 22 1 1 -1 19.49 0.61 2.37
23 23A 23B 23 1 1 -1 19.19 0.07 1.94
24 24A 24B 24 1 1 -1 2.82 -4.28 0.20
25 25A 25B 25 1 1 -1 3.90 -4.39 0.23
26 26A 26B 26 1 1 -1 9.83 -6.01 0.37
27 27A 27B 27 1 1 -1 3.44 -4.39 0.17
28 28A 28B 28 1 1 -1 5.71 -5.56 0.05
29 29A 29B 29 1 1 -1 6.82 -5.38 0.09
30 30A 30B 30 1 1 -1 1.43 -2.54 -0.02
31 31A 31B 31 1 1 -1 3.38 -2.88 -0.01
32 32A 32B 32 1 1 -1 3.74 -2.54 -0.01
33 33A 33B 33 1 1 -1 1.87 -2.59 -0.06
34 34A 34B 34 1 1 -1 3.78 -4.10 0.14
35 35A 35B 35 1 1 -1 2.61 -2.91 0.13
36 36A 36B 36 1 1 -1 1.78 -2.17 0.12
37 37A 37B 37 1 1 -1 2.40 -2.70 0.22
38 38A 38B 38 1 1 -1 3.00 -3.16 0.20
39 39A 39B 39 1 1 -1 3.58 -3.87 0.12
40 40A 40B 40 1 1 -1 2.90 -3.08 0.16
41 41A 41B 41 1 1 -1 4.85 -4.85 0.09
42 42A 42B 42 1 1 -1 4.14 -4.36 0.05
43 43A 43B 43 1 1 -1 3.71 -3.57 0.04
44 44A 44B 44 1 1 -1 2.01 -2.17 -0.01
45 45A 45B 45 1 1 -1 1.75 -2.01 -0.08
46 46A 46B 46 1 1 -1 4.26 -3.91 0.07
47 47A 47B 47 1 1 -1 2.88 -2.71 0.05
48 48A 48B 48 1 1 -1 3.54 -2.56 0.14
49 49A 49B 49 1 1 -1 3.33 -2.64 0.15
50 50A 50B 50 1 1 -1 2.87 -1.51 0.18
51 51A 51B 51 1 1 -1 1.52 -0.46 0.16
52 52A 52B 52 1 1 -1 4.71 -2.01 0.22
53 53A 53B 53 1 1 -1 4.36 -1.72 0.29
54 54A 54B 54 1 1 -1 3.28 -0.92 0.42
55 55A 55B 55 1 1 -1 4.19 -2.11 0.20
56 56A 56B 56 1 1 -1 3.23 -2.40 0.07
57 57A 57B 57 1 1 -1 5.28 -3.36 0.22
58 58A 58B 58 1 1 -1 4.15 -1.33 0.17
59 59A 59B 59 1 1 -1 2.85 0.19 0.52
60 60A 60B 60 1 1 -1 4.87 -0.37 0.71
61 61A 61B 61 1 1 -1 2.91 -2.87 0.03
62 62A 62B 62 1 1 -1 3.53 -3.02 0.16
63 63A 63B 63 1 1 -1 3.80 -3.05 0.07
64 64A 64B 64 1 1 -1 3.00 -1.96 0.04
65 65A 65B 65 1 1 -1 3.99 -0.30 0.57
66 66A 66B 66 1 1 -1 3.97 -2.23 -0.03
MD -1.91 0.44
MAD 2.03 0.45
RMSD 2.57 0.73