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The CYCONF subset - Results for B1B95

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.

B1B95 B1B95-D3
# Result Res. - Ref. Result Res. - Ref.
1 1.40 -0.1262 2.03 0.5099
2 2.46 0.8509 2.31 0.7006
3 2.57 0.6254 2.86 0.9116
4 2.25 0.4558 2.68 0.8801
5 2.08 -0.0163 2.37 0.2730
6 2.58 0.6469 2.39 0.4592
7 1.98 -0.1932 2.42 0.2381
8 2.15 -0.2073 2.47 0.1103
9 3.39 0.8256 3.48 0.9221
10 3.42 0.7476 3.34 0.6676
MD 0.36 0.57
MAD 0.47 0.57
RMSD 0.55 0.63