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The DC9 subset - Results for B3LYP

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), root mean square (RMSD),
maximum (max) and minimum (min) deviations are shown.
The results were published in: Goerigk, L.; Grimme, S. J. Chem. Theory Comput. 2010, 6, 107-126.

B3LYP B3LYP-D
# Result Res. - Ref. Result Res. - Ref.
1 0.55 1.5540 1.04 2.0370
2 -42.78 -29.4834 -31.11 -17.8134
3 -6.16 8.1416 -6.28 8.0196
4 7.35 26.5457 -15.82 3.3827
5 1.49 20.9855 -2.21 17.2925
6 -22.13 4.7742 -22.57 4.3262
7 -27.57 10.5338 -30.37 7.7258
8 -95.60 -7.2004 -95.75 -7.3464
9 -73.94 27.0611 -79.54 21.4631
MD 6.99 4.34
MAD 15.14 9.93
RMSD 18.26 11.97
max 27.06 21.46
min -29.48 -17.81