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TAUT15 results

Density functional: mPWPW91

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 3.43 2.04 3.00
2 2a 2b -1 1 6.56 4.72 4.38 5.05
3 3a 3b -1 1 -5.44 -0.73 -0.97 -0.61
4 3a 3c -1 1 5.25 4.09 2.82 3.63
5 3a 3d -1 1 13.03 1.37 1.11 1.43
6 4a 4b -1 1 0.93 -2.43 -2.78 -2.52
7 5a 5b -1 1 0.74 -2.32 -2.71 -2.48
8 5a 5c -1 1 1.45 -1.20 -1.92 -1.51
9 6a 6b -1 1 -0.17 -1.21 -1.70 -1.40
10 6a 6c -1 1 -0.87 -1.34 -1.90 -1.61
11 6a 6d -1 1 2.85 -0.26 -0.31 -0.35
i12 7a 7b -1 1 2.15 0.40 0.37 0.31
13 8a 8b -1 1 0.55 -0.04 -0.13 -0.10
14 9a 9b -1 1 0.95 1.34 1.46 1.43
15 10a 10b -1 1 -0.45 -2.27 -2.50 -2.29
MD 0.24 -0.18 0.13
MAD 1.81 1.81 1.85
RMSD 2.26 2.12 2.26