back to GMTKN55 main page   back to GMTKN55 database sorted by functionals
back to RSE43 main page   back to B97-2 main page

RSE43 results

Density functional: B97-2

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) D3(BJ)
1 E2 P1 E1 P2 -1 -1 1 1 -15.3 -2.71 -2.35 -2.65
2 E3 P1 E1 P3 -1 -1 1 1 2.0 -5.83 -5.20 -5.07
3 E4 P1 E1 P4 -1 -1 1 1 6.9 -2.32 -1.86 -2.00
4 E5 P1 E1 P5 -1 -1 1 1 -0.7 -3.01 -1.71 -2.57
5 E6 P1 E1 P6 -1 -1 1 1 0.1 -1.85 -1.11 -1.65
6 E7 P1 E1 P7 -1 -1 1 1 1.4 -1.73 -1.06 -1.54
7 E8 P1 E1 P8 -1 -1 1 1 -3.0 -2.46 -1.79 -2.24
8 E9 P1 E1 P9 -1 -1 1 1 -1.5 -1.47 -0.95 -1.32
9 E10 P1 E1 P10 -1 -1 1 1 -2.0 -1.68 -1.20 -1.53
10 E11 P1 E1 P11 -1 -1 1 1 -17.7 -2.91 -2.60 -2.86
11 E12 P1 E1 P12 -1 -1 1 1 -10.1 -2.54 -2.20 -2.45
12 E13 P1 E1 P13 -1 -1 1 1 -8.4 -3.27 -3.07 -3.20
13 E15 P1 E1 P15 -1 -1 1 1 -6.4 -2.07 -1.71 -1.95
14 E16 P1 E1 P16 -1 -1 1 1 -6.5 -2.14 -1.78 -2.03
15 E17 P1 E1 P17 -1 -1 1 1 -6.6 -2.23 -1.80 -2.12
16 E18 P1 E1 P18 -1 -1 1 1 -6.5 -2.16 -1.75 -2.04
17 E19 P1 E1 P19 -1 -1 1 1 -3.1 -1.67 -1.05 -1.47
18 E20 P1 E1 P20 -1 -1 1 1 -3.8 -1.65 -1.45 -1.62
19 E21 P1 E1 P21 -1 -1 1 1 -12.5 -2.33 -1.98 -2.23
20 E22 P1 E1 P22 -1 -1 1 1 4.7 -1.28 -0.85 -1.16
21 E23 P1 E1 P23 -1 -1 1 1 -13.1 -2.56 -2.05 -2.37
22 E24 P1 E1 P24 -1 -1 1 1 -11.2 -2.75 -2.48 -2.68
23 E25 P1 E1 P25 -1 -1 1 1 -8.9 -3.22 -2.76 -3.07
24 E26 P1 E1 P26 -1 -1 1 1 -13.3 -2.70 -1.93 -2.35
25 E27 P1 E1 P27 -1 -1 1 1 -3.5 -2.39 -1.88 -2.29
26 E28 P1 E1 P28 -1 -1 1 1 -3.8 -2.09 -1.59 -1.97
27 E29 P1 E1 P29 -1 -1 1 1 -2.9 -2.11 -1.68 -1.89
28 E30 P1 E1 P30 -1 -1 1 1 -6.0 -2.17 -1.64 -2.08
29 E31 P1 E1 P31 -1 -1 1 1 -6.4 -2.48 -1.82 -2.32
30 E32 P1 E1 P32 -1 -1 1 1 -4.3 -1.88 -1.63 -1.80
31 E33 P1 E1 P33 -1 -1 1 1 0.6 -1.26 -1.16 -1.05
32 E34 P1 E1 P34 -1 -1 1 1 -11.5 -2.37 -2.10 -2.30
33 E35 P1 E1 P35 -1 -1 1 1 -9.1 -2.39 -2.11 -2.26
34 E36 P1 E1 P36 -1 -1 1 1 2.4 -1.60 -1.30 -1.45
35 E37 P1 E1 P37 -1 -1 1 1 -10.1 -2.18 -1.95 -2.09
36 E38 P1 E1 P38 -1 -1 1 1 -0.4 -1.89 -1.34 -1.68
37 E39 P1 E1 P39 -1 -1 1 1 -3.5 -2.53 -1.96 -2.24
38 E40 P1 E1 P40 -1 -1 1 1 -23.1 -5.70 -5.14 -5.54
39 E41 P1 E1 P41 -1 -1 1 1 -25.1 -4.86 -4.16 -4.64
40 E42 P1 E1 P42 -1 -1 1 1 -26.4 -5.32 -4.56 -5.11
41 E43 P1 E1 P43 -1 -1 1 1 -13.1 -3.79 -3.58 -3.76
42 E44 P1 E1 P44 -1 -1 1 1 -6.7 -4.83 -3.15 -4.09
43 E45 P1 E1 P45 -1 -1 1 1 -2.3 -1.75 -0.91 -1.46
MD -2.61 -2.10 -2.42
MAD 2.61 2.10 2.42
RMSD 2.84 2.35 2.64