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The ISO34 subset - Results for XYG3

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. J. Chem. Theory Comput. 2011, 7, 291-309.

XYG3
# Result Res. - Ref.
1 3.04 1.4236
2 25.34 3.4629
3 7.44 0.2356
4 1.13 0.1391
5 1.07 0.1432
6 2.61 -0.0076
7 12.25 1.0969
8 22.28 -0.6221
9 6.99 0.0543
10 3.38 -0.1961
11 0.02 -1.8945
12 50.27 3.3182
13 39.27 3.2307
14 25.48 1.2754
15 8.07 0.8149
16 10.85 0.0387
17 28.53 1.5484
18 12.12 0.9612
19 4.64 0.0432
20 18.61 -1.6169
21 1.21 0.2659
22 3.44 0.2110
23 5.42 0.1646
24 11.92 -0.6008
25 27.71 1.2198
26 16.74 -1.4155
27 66.59 2.4209
28 33.10 1.8838
29 12.33 0.4270
30 9.74 0.2449
31 14.99 0.9436
32 6.17 -0.9337
33 8.69 3.0651
34 6.83 -0.4338
MD 0.62
MAD 1.07
RMSD 1.48