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The CYCONF subset - Results for MPW1B95

All results were obtained with the def2-QZVP basis set.
For each data point of the subset, the actual result in Eh and the
deviation from the reference value (Res. - Ref.; in kcal/mol) are given.
At the end of the table, mean (MD), mean absolute (MAD) and root mean square (RMSD) deviations are shown.
The results were published in: Goerigk, L.; Grimme, S. Phys. Chem. Chem. Phys. 2011, DOI: 10.1039/C0CP02984J.

MPW1B95 MPW1B95-D3
# Result Res. - Ref. Result Res. - Ref.
1 1.53 0.0075 1.91 0.3848
2 2.45 0.8428 2.36 0.7478
3 2.52 0.5740 2.69 0.7375
4 2.36 0.5621 2.60 0.8088
5 2.14 0.0458 2.31 0.2167
6 2.55 0.6157 2.43 0.4937
7 2.13 -0.0519 2.38 0.1992
8 2.27 -0.0851 2.46 0.1016
9 3.48 0.9143 3.52 0.9599
10 3.44 0.7636 3.38 0.7056
MD 0.42 0.54
MAD 0.45 0.54
RMSD 0.56 0.61