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The G21IP subset - Results for LC-ωPBE

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.

LC-ωPBE LC-ωPBE-D3
# Result Res. - Ref. Result Res. - Ref.
1 317.68 2.7767 317.68 2.7767
2 128.65 5.3462 128.65 5.3462
3 208.10 -6.8037 208.10 -6.8037
4 202.13 11.7348 202.13 11.7348
5 269.22 9.6154 269.22 9.6154
6 342.97 7.6663 342.97 7.6663
7 325.51 11.7064 325.51 11.7064
8 409.27 7.5720 409.27 7.5720
9 120.10 1.6006 120.10 1.6006
10 172.22 -4.0751 172.22 -4.0751
11 142.86 4.8602 142.86 4.8602
12 191.50 3.5039 191.50 3.5039
13 244.51 2.6107 244.51 2.6107
14 242.44 3.4355 242.44 3.4355
15 301.03 1.9311 301.03 1.9311
16 292.85 -3.4885 292.81 -3.5321
17 234.57 -1.1240 234.55 -1.1411
18 306.57 5.6560 306.57 5.6559
19 292.08 -0.5637 292.08 -0.5667
20 372.65 1.3346 372.65 1.3343
21 254.63 -0.7553 254.72 -0.6694
22 239.12 5.0105 239.12 5.0105
23 232.92 6.5555 232.92 6.5543
24 224.26 -3.5670 224.15 -3.6700
25 240.72 1.4225 240.72 1.4224
26 293.93 -0.5256 293.93 -0.5260
27 259.73 -4.8555 259.71 -4.8792
28 238.55 -5.1628 238.52 -5.1857
29 325.42 2.4382 325.42 2.4382
30 369.69 10.3209 369.69 10.3209
31 285.40 7.6680 285.40 7.6683
32 238.79 -4.0647 238.79 -4.0647
33 223.91 8.1750 223.91 8.1764
34 265.60 0.5187 265.61 0.5230
35 290.04 -1.6627 290.04 -1.6611
36 261.61 0.4553 261.61 0.4557
MD 2.42 2.42
MAD 4.46 4.46
RMSD 5.48 5.49