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SCONF results

Density functional: ωB97X-D3

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. D3(0)
1 C1 C2 -1 1 0.86 -0.07
2 C1 C3 -1 1 2.28 0.23
3 C1 C4 -1 1 3.08 0.09
4 C1 C5 -1 1 4.60 -0.39
5 C1 C6 -1 1 4.87 -0.35
6 C1 C7 -1 1 4.16 -0.09
7 C1 C8 -1 1 4.38 -0.24
8 C1 C9 -1 1 6.19 -0.43
9 C1 C10 -1 1 6.18 -0.25
10 C1 C11 -1 1 5.65 -0.21
11 C1 C12 -1 1 5.59 -0.05
12 C1 C13 -1 1 5.93 -0.19
13 C1 C14 -1 1 6.31 -0.30
14 C1 C15 -1 1 6.22 -0.37
15 G1 G2 -1 1 0.20 -0.01
16 G1 G3 -1 1 6.16 -0.31
17 G1 G4 -1 1 5.54 -1.03
MD -0.23
MAD 0.27
RMSD 0.35