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TAUT15 results

Density functional: B3PW91

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 2.99 1.32 2.44
2 2a 2b -1 1 6.56 3.24 2.72 3.53
3 3a 3b -1 1 -5.44 -1.14 -1.33 -1.02
4 3a 3c -1 1 5.25 3.36 1.78 2.75
5 3a 3d -1 1 13.03 0.64 0.42 0.69
6 4a 4b -1 1 0.93 -1.33 -1.71 -1.45
7 5a 5b -1 1 0.74 -1.37 -1.79 -1.57
8 5a 5c -1 1 1.45 -0.22 -1.02 -0.59
9 6a 6b -1 1 -0.17 -0.57 -1.12 -0.80
10 6a 6c -1 1 -0.87 -0.60 -1.24 -0.92
11 6a 6d -1 1 2.85 0.02 -0.06 -0.08
i12 7a 7b -1 1 2.15 0.48 0.43 0.40
13 8a 8b -1 1 0.55 -0.10 -0.22 -0.17
14 9a 9b -1 1 0.95 0.78 0.92 0.86
15 10a 10b -1 1 -0.45 -1.65 -1.92 -1.72
MD 0.30 -0.19 0.16
MAD 1.23 1.20 1.27
RMSD 1.64 1.39 1.59