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The G21IP subset - Results for MPWB1K

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.

MPWB1K MPWB1K-D3
# Result Res. - Ref. Result Res. - Ref.
1 312.54 -2.3585 312.54 -2.3585
2 126.53 3.2277 126.53 3.2277
3 205.77 -9.1309 205.77 -9.1309
4 194.57 4.1683 194.57 4.1683
5 261.64 2.0422 261.64 2.0422
6 336.43 1.1267 336.43 1.1267
7 313.91 0.1105 313.91 0.1105
8 399.66 -2.0419 399.66 -2.0419
9 119.17 0.6713 119.17 0.6713
10 172.02 -4.2804 172.02 -4.2804
11 136.01 -1.9874 136.01 -1.9874
12 185.91 -2.0900 185.91 -2.0900
13 240.22 -1.6795 240.22 -1.6795
14 237.94 -1.0622 237.94 -1.0622
15 298.22 -0.8837 298.22 -0.8837
16 292.84 -3.4963 292.81 -3.5318
17 232.01 -3.6783 232.00 -3.6923
18 298.27 -2.6445 298.27 -2.6445
19 287.44 -5.2124 287.43 -5.2148
20 366.27 -5.0435 366.27 -5.0437
21 252.35 -3.0388 252.42 -2.9660
22 234.10 -0.0065 234.10 -0.0065
23 227.22 0.8543 227.22 0.8533
24 224.81 -3.0156 224.72 -3.0986
25 238.14 -1.1636 238.14 -1.1637
26 292.76 -1.6975 292.76 -1.6978
27 258.21 -6.3726 258.19 -6.3919
28 237.28 -6.4340 237.26 -6.4509
29 325.32 2.3363 325.32 2.3364
30 367.91 8.5440 367.91 8.5440
31 285.45 7.7238 285.45 7.7240
32 247.79 4.9360 247.79 4.9360
33 219.48 3.7436 219.48 3.7448
34 262.47 -2.6126 262.47 -2.6091
35 289.52 -2.1776 289.52 -2.1763
36 260.90 -0.2537 260.90 -0.2534
MD -0.91 -0.92
MAD 3.11 3.11
RMSD 3.86 3.87