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The PA subset - Results for OPBE

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.

OPBE OPBE-D3
# Result Res. - Ref. Result Res. - Ref.
1 174.69 6.8933 175.63 7.8262
2 201.95 8.5540 203.05 9.6450
3 219.83 10.1299 220.98 11.2785
4 231.33 11.6334 232.52 12.8207
5 216.49 4.5887 216.85 4.9517
6 176.23 4.6346 176.45 4.8457
7 165.78 8.3828 166.40 8.9989
8 161.66 4.8638 162.33 5.5280
9 195.15 2.4484 196.22 3.5198
10 179.63 5.4276 180.26 6.0601
11 144.12 6.3249 144.40 6.6037
12 111.00 4.7045 111.01 4.7063
MD 6.55 7.23
MAD 6.55 7.23
RMSD 7.03 7.75