back to GMTKN55 main page   back to GMTKN55 database sorted by functionals
back to G2RC main page   back to MPW1KCIS main page

G2RC results

Density functional: MPW1KCIS

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 -1.36 0.78 2.01
2 40 1 104 -1 -1 1 -2.26 -0.02 -0.68 -0.87
3 113 30 8 -1 1 1 -2.18 5.27 6.56 7.38
4 52 1 18 -1 -1 2 -4.10 1.79 2.50 7.75
5 30 13 40 1 -1 -1 1 1 -7.10 -6.07 -6.21 -6.54
6 128 13 126 22 -1 -1 1 1 -10.70 1.03 1.18 2.70
7 100 13 106 -1 -1 1 -19.47 -3.78 -5.58 -6.08
8 25 14 121 -1 -1 1 -26.97 -3.26 -4.04 -4.47
9 39 45 51 -1 -1 2 -27.30 -0.14 -0.13 1.59
10 58 59 57 60 -1 -1 1 1 -27.15 1.52 0.76 -2.00
11 67 61 66 62 -1 -1 1 1 -24.89 7.76 9.19 12.55
12 32 1 33 -1 -1 1 -29.46 -1.32 -1.88 -2.00
13 25 26 88 -1 -1 1 -32.71 -2.96 -4.98 -6.74
14 47 1 18 13 -1 -3 1 1 -36.32 -3.46 -4.26 -4.85
15 34 1 11 -1 -3 2 -39.43 -11.39 -11.45 -12.06
16 8 45 97 22 -1 -2 1 2 -48.52 3.33 2.02 3.08
17 25 1 26 -1 -1 1 -49.20 -3.32 -3.72 -4.32
18 56 1 21 13 -1 -3 1 2 -61.67 -5.70 -5.52 -4.73
19 30 1 13 8 -1 -3 1 1 -65.15 -9.59 -9.72 -10.32
20 73 1 39 13 -1 -1 1 1 -68.90 2.87 3.03 3.03
21 68 1 34 13 -1 -1 1 1 -81.21 10.61 10.79 11.14
22 26 6 82 -1 -1 1 -109.11 -6.79 -8.08 -9.05
23 1 39 14 -1 -1 2 -135.40 1.33 1.34 1.38
24 25 94 -3 1 -154.04 -7.66 -10.43 -17.71
25 23 39 24 -1 -1 2 -216.11 6.59 6.63 8.79
MD -0.99 -1.28 -1.21
MAD 4.36 4.86 6.12
RMSD 5.40 5.96 7.41