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The ISOL22 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 3.50 -37.0904 19.63 -20.9638
2 2.08 -9.6021 1.24 -10.4416
3 12.76 -22.1751 16.51 -18.4280
4 16.72 -9.1654 17.67 -8.2181
5 -0.76 -19.5451 7.91 -10.8842
6 65.02 46.7151 50.08 31.7845
7 15.11 -7.1986 19.80 -2.5118
8 2.03 -5.8781 3.77 -4.1417
9 33.34 -4.7872 35.38 -2.7473
10 0.69 -0.2747 0.79 -0.1678
11 29.66 -5.4233 30.84 -4.2381
12 3.28 -1.9216 4.85 -0.3533
13 -2.60 -6.4689 0.29 -3.5832
14 20.52 -2.0689 19.64 -2.9539
15 -8.84 -19.9142 -6.76 -17.8284
16 9.07 -17.0067 14.59 -11.4899
17 22.13 5.1149 20.95 3.9294
18 4.64 0.1178 3.15 -1.3731
19 -11.65 -25.0338 -7.11 -20.4902
20 -25.54 -26.0221 -16.11 -16.5865
21 6.30 -21.3119 9.40 -18.2080
22 11.16 -4.8890 14.22 -1.8320
MD -8.81 -6.44
MAD 13.53 9.69
RMSD 18.20 12.88