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TAUT15 results

Density functional: B3LYP

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 1a 1b -1 1 4.30 2.16 0.78 1.69
2 2a 2b -1 1 6.56 2.40 2.01 2.71
3 3a 3b -1 1 -5.44 -1.72 -1.92 -1.60
4 3a 3c -1 1 5.25 2.30 1.00 1.79
5 3a 3d -1 1 13.03 -0.14 -0.36 -0.08
6 4a 4b -1 1 0.93 -1.47 -1.81 -1.59
7 5a 5b -1 1 0.74 -1.64 -2.01 -1.82
8 5a 5c -1 1 1.45 -0.67 -1.37 -1.02
9 6a 6b -1 1 -0.17 -0.78 -1.26 -1.00
10 6a 6c -1 1 -0.87 -0.81 -1.35 -1.12
11 6a 6d -1 1 2.85 -0.10 -0.15 -0.19
i12 7a 7b -1 1 2.15 0.20 0.16 0.11
13 8a 8b -1 1 0.55 -0.01 -0.10 -0.07
14 9a 9b -1 1 0.95 1.16 1.28 1.24
15 10a 10b -1 1 -0.45 -1.37 -1.59 -1.42
MD -0.03 -0.44 -0.16
MAD 1.13 1.14 1.16
RMSD 1.38 1.32 1.38