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G2RC results

Density functional: LC-ωhPBE

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 -0.01 1.43 1.65
2 40 1 104 -1 -1 1 -2.26 -2.24 -2.66 -2.68
3 113 30 8 -1 1 1 -2.18 4.84 5.67 5.84
4 52 1 18 -1 -1 2 -4.10 -0.79 -0.28 0.80
5 30 13 40 1 -1 -1 1 1 -7.10 -4.22 -4.31 -4.40
6 128 13 126 22 -1 -1 1 1 -10.70 -3.14 -3.07 -2.58
7 100 13 106 -1 -1 1 -19.47 -7.55 -8.75 -8.73
8 25 14 121 -1 -1 1 -26.97 -6.74 -7.25 -7.35
9 39 45 51 -1 -1 2 -27.30 -3.25 -3.24 -2.83
10 58 59 57 60 -1 -1 1 1 -27.15 -0.58 -0.99 -0.83
11 67 61 66 62 -1 -1 1 1 -24.89 11.51 12.38 12.36
12 32 1 33 -1 -1 1 -29.46 -3.77 -4.13 -4.15
13 25 26 88 -1 -1 1 -32.71 -10.26 -11.55 -12.06
14 47 1 18 13 -1 -3 1 1 -36.32 -11.94 -12.44 -12.65
15 34 1 11 -1 -3 2 -39.43 -9.78 -9.82 -10.17
16 8 45 97 22 -1 -2 1 2 -48.52 -1.44 -2.29 -2.02
17 25 1 26 -1 -1 1 -49.20 -5.15 -5.40 -5.67
18 56 1 21 13 -1 -3 1 2 -61.67 -6.82 -6.71 -6.59
19 30 1 13 8 -1 -3 1 1 -65.15 -9.10 -9.19 -9.52
20 73 1 39 13 -1 -1 1 1 -68.90 2.06 2.17 2.13
21 68 1 34 13 -1 -1 1 1 -81.21 3.76 3.87 3.98
22 26 6 82 -1 -1 1 -109.11 -13.88 -14.72 -14.97
23 1 39 14 -1 -1 2 -135.40 0.31 0.31 0.33
24 25 94 -3 1 -154.04 -13.11 -15.03 -17.80
25 23 39 24 -1 -1 2 -216.11 0.06 0.08 0.47
MD -3.65 -3.84 -3.90
MAD 5.45 5.91 6.10
RMSD 6.93 7.46 7.80