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SCONF 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 C1 C2 -1 1 0.86 0.04 -0.07 -0.05
2 C1 C3 -1 1 2.28 -0.16 0.34 0.34
3 C1 C4 -1 1 3.08 -0.12 0.26 0.27
4 C1 C5 -1 1 4.60 -0.50 0.05 -0.07
5 C1 C6 -1 1 4.87 -0.55 0.07 -0.02
6 C1 C7 -1 1 4.16 -0.11 0.15 0.07
7 C1 C8 -1 1 4.38 -0.16 0.15 0.03
8 C1 C9 -1 1 6.19 -0.81 -0.01 -0.07
9 C1 C10 -1 1 6.18 -0.57 0.31 0.12
10 C1 C11 -1 1 5.65 -0.30 0.30 0.11
11 C1 C12 -1 1 5.59 -0.24 0.34 0.17
12 C1 C13 -1 1 5.93 0.14 0.36 0.39
13 C1 C14 -1 1 6.31 -0.52 0.28 0.01
14 C1 C15 -1 1 6.22 -0.50 0.09 -0.12
15 G1 G2 -1 1 0.20 0.10 -0.03 -0.01
16 G1 G3 -1 1 6.16 1.13 -0.78 -0.52
17 G1 G4 -1 1 5.54 0.92 -0.74 -0.77
MD -0.13 0.06 -0.01
MAD 0.40 0.25 0.18
RMSD 0.51 0.34 0.28