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The DC9 subset - Results for BOP

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.

BOP BOP-D3
# Result Res. - Ref. Result Res. - Ref.
1 1.96 2.9643 2.72 3.7199
2 -53.30 -39.9982 -42.77 -29.4691
3 -1.81 12.4916 -1.88 12.4187
4 21.71 40.9097 -5.28 13.9234
5 14.63 34.1317 12.99 32.4920
6 -24.92 1.9824 -26.77 0.1329
7 -17.26 20.8408 -21.68 16.4236
8 -96.55 -8.1548 -96.73 -8.3301
9 -65.78 35.2236 -78.54 22.4648
MD 11.15 7.09
MAD 21.86 15.49
RMSD 26.56 18.65