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The ISOL22 subset - Results for B97

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.

B97 B97-D3
# Result Res. - Ref. Result Res. - Ref.
1 8.14 -32.4525 21.52 -19.0703
2 3.86 -7.8235 3.03 -8.6509
3 16.06 -18.8812 19.74 -15.1960
4 19.43 -6.4586 19.80 -6.0936
5 1.67 -17.1218 8.76 -10.0304
6 60.09 41.7869 49.21 30.9067
7 16.19 -6.1220 19.86 -2.4512
8 2.85 -5.0636 4.47 -3.4420
9 32.16 -5.9669 33.62 -4.5131
10 0.53 -0.4311 0.66 -0.2998
11 30.14 -4.9403 31.02 -4.0633
12 3.78 -1.4187 5.43 0.2327
13 -8.51 -12.3755 -6.14 -10.0094
14 21.89 -0.6974 21.52 -1.0747
15 -5.44 -16.5092 -3.66 -14.7330
16 8.80 -17.2819 13.34 -12.7383
17 20.52 3.4996 20.19 3.1738
18 5.07 0.5489 4.07 -0.4538
19 -9.41 -22.7901 -5.63 -19.0056
20 -22.95 -23.4298 -15.54 -16.0226
21 8.01 -19.5963 10.49 -17.1165
22 11.92 -4.1308 14.35 -1.6985
MD -8.08 -6.02
MAD 12.24 9.14
RMSD 16.35 12.10