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G2RC results

Density functional: PBE

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)
1 118 117 13 -1 1 1 -2.23 3.05 4.21 4.65
2 40 1 104 -1 -1 1 -2.26 0.73 0.48 0.23
3 113 30 8 -1 1 1 -2.18 7.76 8.37 8.77
4 52 1 18 -1 -1 2 -4.10 1.91 2.25 2.87
5 30 13 40 1 -1 -1 1 1 -7.10 -10.94 -10.99 -11.10
6 128 13 126 22 -1 -1 1 1 -10.70 1.76 1.78 2.10
7 100 13 106 -1 -1 1 -19.47 -6.69 -7.56 -7.94
8 25 14 121 -1 -1 1 -26.97 -6.42 -6.77 -7.08
9 39 45 51 -1 -1 2 -27.30 0.81 0.81 1.06
10 58 59 57 60 -1 -1 1 1 -27.15 2.13 1.87 2.25
11 67 61 66 62 -1 -1 1 1 -24.89 8.61 9.09 8.84
12 32 1 33 -1 -1 1 -29.46 0.21 -0.01 -0.23
13 25 26 88 -1 -1 1 -32.71 -5.08 -6.02 -6.85
14 47 1 18 13 -1 -3 1 1 -36.32 -0.70 -1.01 -1.46
15 34 1 11 -1 -3 2 -39.43 -7.03 -7.05 -7.54
16 8 45 97 22 -1 -2 1 2 -48.52 6.04 5.60 5.43
17 25 1 26 -1 -1 1 -49.20 -2.90 -3.08 -3.49
18 56 1 21 13 -1 -3 1 2 -61.67 6.54 6.61 6.62
19 30 1 13 8 -1 -3 1 1 -65.15 -5.83 -5.88 -6.37
20 73 1 39 13 -1 -1 1 1 -68.90 10.44 10.50 10.50
21 68 1 34 13 -1 -1 1 1 -81.21 19.43 19.50 19.64
22 26 6 82 -1 -1 1 -109.11 -8.80 -9.39 -9.93
23 1 39 14 -1 -1 2 -135.40 9.25 9.25 9.27
24 25 94 -3 1 -154.04 -11.42 -13.02 -15.84
25 23 39 24 -1 -1 2 -216.11 12.69 12.70 12.87
MD 1.02 0.89 0.69
MAD 6.29 6.55 6.92
RMSD 7.75 8.02 8.39