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MCONF results

Density functional: r2SCAN-3c

Reference values and deviations (result - reference) of the respective functional in kcal/mol.

0.12 6.39 1 42 0.95 7.32 1 43 0.94 7.39 1 44 0.72 6.18 1 45 0.75 7.82 1 46 0.74 7.89 1 47 0.49 6.74 1 48 1.10 8.19 1 49 1.10 8.20 1 50 0.52 7.28 1 51 1.13 8.75 1 52 0.49 ~
# Systems Stoichiometry Ref. r2SCAN-3c
1 1 2 -1 1 0.39 0.46
2 1 3 -1 1 1.74 0.03
3 1 4 -1 1 1.16 0.26
4 1 5 -1 1 2.20 -0.06
5 1 6 -1 1 2.20 0.16
6 1 7 -1 1 2.68 0.20
7 1 8 -1 1 2.92 -0.21
8 1 9 -1 1 2.23 0.11
9 1 10 -1 1 2.84 0.03
10 1 11 -1 1 4.24 0.36
11 1 12 -1 1 4.45 0.26
12 1 13 -1 1 3.60 0.71
13 1 14 -1 1 2.25 0.54
14 1 15 -1 1 3.74 0.70
15 1 16 -1 1 5.00 0.60
16 1 17 -1 1 5.11 0.71
17 1 18 -1 1 3.18 0.34
18 1 19 -1 1 3.83 -0.20
19 1 20 -1 1 3.80 0.25
20 1 21 -1 1 3.11 0.35
21 1 22 -1 1 5.27 0.41
22 1 23 -1 1 5.31 0.43
23 1 24 -1 1 4.50 0.92
24 1 25 -1 1 3.85 0.10
25 1 26 -1 1 4.55 0.94
26 1 27 -1 1 4.76 0.07
27 1 28 -1 1 4.37 0.42
28 1 29 -1 1 5.27 0.71
29 1 30 -1 1 5.67 0.01
30 1 31 -1 1 4.86 0.53
31 1 32 -1 1 6.24 0.65
32 1 33 -1 1 6.26 0.66
33 1 34 -1 1 5.85 0.03
34 1 35 -1 1 5.37 0.30
35 1 36 -1 1 5.53 0.33
36 1 37 -1 1 7.53 0.62
37 1 38 -1 1 5.88 0.34
38 1 39 -1 1 5.58 0.69
39 1 40 -1 1 6.98 0.94
40 1 41 -1 1 7.07 0.92
41 1 42 -1 1 6.39 0.12
42 1 43 -1 1 7.32 0.95
43 1 44 -1 1 7.39 0.94
44 1 45 -1 1 6.18 0.72
45 1 46 -1 1 7.82 0.75
46 1 47 -1 1 7.89 0.74
47 1 48 -1 1 6.74 0.49
48 1 49 -1 1 8.19 1.10
49 1 50 -1 1 8.20 1.10
50 1 51 -1 1 7.28 0.52
51 1 52 -1 1 8.75 1.13
MD 0.47
MAD 0.49
RMSD 0.59