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G2RC results

Density functional: PW91P86

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)
1 118 117 13 -1 1 1 -2.23 5.21 6.02
2 40 1 104 -1 -1 1 -2.26 -1.31 -1.57
3 113 30 8 -1 1 1 -2.18 8.71 9.20
4 52 1 18 -1 -1 2 -4.10 0.98 1.24
5 30 13 40 1 -1 -1 1 1 -7.10 -10.07 -10.12
6 128 13 126 22 -1 -1 1 1 -10.70 1.47 1.52
7 100 13 106 -1 -1 1 -19.47 -8.34 -9.03
8 25 14 121 -1 -1 1 -26.97 -7.72 -8.02
9 39 45 51 -1 -1 2 -27.30 0.13 0.13
10 58 59 57 60 -1 -1 1 1 -27.15 1.63 1.35
11 67 61 66 62 -1 -1 1 1 -24.89 6.31 6.85
12 32 1 33 -1 -1 1 -29.46 -1.14 -1.35
13 25 26 88 -1 -1 1 -32.71 -4.83 -5.59
14 47 1 18 13 -1 -3 1 1 -36.32 -1.73 -2.04
15 34 1 11 -1 -3 2 -39.43 -9.87 -9.89
16 8 45 97 22 -1 -2 1 2 -48.52 6.25 5.76
17 25 1 26 -1 -1 1 -49.20 -3.77 -3.92
18 56 1 21 13 -1 -3 1 2 -61.67 5.62 5.68
19 30 1 13 8 -1 -3 1 1 -65.15 -7.66 -7.71
20 73 1 39 13 -1 -1 1 1 -68.90 10.69 10.75
21 68 1 34 13 -1 -1 1 1 -81.21 18.37 18.44
22 26 6 82 -1 -1 1 -109.11 -8.12 -8.61
23 1 39 14 -1 -1 2 -135.40 9.14 9.14
24 25 94 -3 1 -154.04 -13.26 -14.31
25 23 39 24 -1 -1 2 -216.11 10.48 10.49
MD 0.29 0.18
MAD 6.51 6.75
RMSD 7.84 8.07