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SCONF results

Density functional: MPW1B95

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 C1 C2 -1 1 0.86 0.18 0.10 0.11
2 C1 C3 -1 1 2.28 0.04 0.39 0.31
3 C1 C4 -1 1 3.08 0.10 0.36 0.30
4 C1 C5 -1 1 4.60 -0.15 0.27 0.04
5 C1 C6 -1 1 4.87 -0.11 0.35 0.16
6 C1 C7 -1 1 4.16 -0.04 0.18 -0.01
7 C1 C8 -1 1 4.38 -0.10 0.16 -0.07
8 C1 C9 -1 1 6.19 -0.24 0.33 0.14
9 C1 C10 -1 1 6.18 -0.17 0.46 0.18
10 C1 C11 -1 1 5.65 -0.08 0.38 0.08
11 C1 C12 -1 1 5.59 -0.07 0.38 0.09
12 C1 C13 -1 1 5.93 0.54 0.65 0.66
13 C1 C14 -1 1 6.31 -0.20 0.40 0.06
14 C1 C15 -1 1 6.22 -0.38 0.02 -0.22
15 G1 G2 -1 1 0.20 -0.03 -0.14 -0.07
16 G1 G3 -1 1 6.16 -0.38 -1.83 -1.25
17 G1 G4 -1 1 5.54 0.27 -0.99 -0.66
MD -0.05 0.09 -0.01
MAD 0.18 0.43 0.26
RMSD 0.23 0.60 0.41