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G2RC results

Density functional: PW91

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 3.85 4.79
2 40 1 104 -1 -1 1 -2.26 0.20 -0.07
3 113 30 8 -1 1 1 -2.18 7.93 8.49
4 52 1 18 -1 -1 2 -4.10 1.38 1.91
5 30 13 40 1 -1 -1 1 1 -7.10 -10.68 -10.76
6 128 13 126 22 -1 -1 1 1 -10.70 1.74 1.89
7 100 13 106 -1 -1 1 -19.47 -7.03 -7.75
8 25 14 121 -1 -1 1 -26.97 -6.72 -7.08
9 39 45 51 -1 -1 2 -27.30 0.37 0.47
10 58 59 57 60 -1 -1 1 1 -27.15 1.99 1.99
11 67 61 66 62 -1 -1 1 1 -24.89 7.22 7.39
12 32 1 33 -1 -1 1 -29.46 -0.14 -0.39
13 25 26 88 -1 -1 1 -32.71 -4.49 -5.49
14 47 1 18 13 -1 -3 1 1 -36.32 -1.08 -1.49
15 34 1 11 -1 -3 2 -39.43 -7.99 -8.27
16 8 45 97 22 -1 -2 1 2 -48.52 6.55 6.21
17 25 1 26 -1 -1 1 -49.20 -3.15 -3.48
18 56 1 21 13 -1 -3 1 2 -61.67 6.27 6.28
19 30 1 13 8 -1 -3 1 1 -65.15 -6.51 -6.80
20 73 1 39 13 -1 -1 1 1 -68.90 10.22 10.25
21 68 1 34 13 -1 -1 1 1 -81.21 18.74 18.84
22 26 6 82 -1 -1 1 -109.11 -8.24 -8.87
23 1 39 14 -1 -1 2 -135.40 8.95 8.96
24 25 94 -3 1 -154.04 -11.31 -13.80
25 23 39 24 -1 -1 2 -216.11 10.81 10.88
MD 0.75 0.56
MAD 6.14 6.50
RMSD 7.52 7.88