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SCONF results

Density functional: B1LYP

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 0.06 -0.08 -0.06
2 C1 C3 -1 1 2.28 -0.65 0.03 0.12
3 C1 C4 -1 1 3.08 -0.58 -0.07 0.05
4 C1 C5 -1 1 4.60 -1.08 -0.32 -0.33
5 C1 C6 -1 1 4.87 -1.18 -0.35 -0.33
6 C1 C7 -1 1 4.16 -0.31 0.07 0.06
7 C1 C8 -1 1 4.38 -0.45 -0.01 -0.07
8 C1 C9 -1 1 6.19 -1.62 -0.54 -0.38
9 C1 C10 -1 1 6.18 -1.44 -0.26 -0.32
10 C1 C11 -1 1 5.65 -0.87 -0.00 -0.13
11 C1 C12 -1 1 5.59 -0.73 0.10 -0.01
12 C1 C13 -1 1 5.93 -0.84 -0.59 -0.41
13 C1 C14 -1 1 6.31 -1.14 -0.05 -0.27
14 C1 C15 -1 1 6.22 -0.98 -0.18 -0.29
15 G1 G2 -1 1 0.20 0.11 -0.08 -0.09
16 G1 G3 -1 1 6.16 2.21 -0.48 -0.44
17 G1 G4 -1 1 5.54 1.21 -1.18 -1.47
MD -0.49 -0.24 -0.26
MAD 0.91 0.26 0.28
RMSD 1.06 0.39 0.43