back to GMTKN55 main page   back to GMTKN55 database sorted by functionals
back to G2RC main page   back to DSD-PBEP86 main page

G2RC results

Density functional: DSD-PBEP86

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(BJ)
1 118 117 13 -1 1 1 -2.23 -0.26 0.63
2 40 1 104 -1 -1 1 -2.26 0.92 0.66
3 113 30 8 -1 1 1 -2.18 1.49 2.07
4 52 1 18 -1 -1 2 -4.10 -1.04 -0.02
5 30 13 40 1 -1 -1 1 1 -7.10 -3.16 -3.28
6 128 13 126 22 -1 -1 1 1 -10.70 -0.26 0.06
7 100 13 106 -1 -1 1 -19.47 -1.21 -1.86
8 25 14 121 -1 -1 1 -26.97 -1.10 -1.45
9 39 45 51 -1 -1 2 -27.30 -0.81 -0.47
10 58 59 57 60 -1 -1 1 1 -27.15 -0.03 -0.47
11 67 61 66 62 -1 -1 1 1 -24.89 2.18 2.94
12 32 1 33 -1 -1 1 -29.46 -0.40 -0.60
13 25 26 88 -1 -1 1 -32.71 -1.53 -2.55
14 47 1 18 13 -1 -3 1 1 -36.32 -2.42 -2.84
15 34 1 11 -1 -3 2 -39.43 -1.66 -1.88
16 8 45 97 22 -1 -2 1 2 -48.52 -0.65 -0.78
17 25 1 26 -1 -1 1 -49.20 -0.73 -1.03
18 56 1 21 13 -1 -3 1 2 -61.67 0.15 0.35
19 30 1 13 8 -1 -3 1 1 -65.15 -1.82 -2.06
20 73 1 39 13 -1 -1 1 1 -68.90 0.40 0.45
21 68 1 34 13 -1 -1 1 1 -81.21 4.98 5.12
22 26 6 82 -1 -1 1 -109.11 -3.98 -4.60
23 1 39 14 -1 -1 2 -135.40 -0.52 -0.51
24 25 94 -3 1 -154.04 -3.69 -6.31
25 23 39 24 -1 -1 2 -216.11 2.42 2.70
MD -0.51 -0.63
MAD 1.51 1.83
RMSD 1.98 2.45