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The WATER27 subset - Results for oPBE

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), root mean square (RMSD),
maximum (max) and minimum (min) deviations are shown.
The results were published in: Goerigk, L.; Grimme, S. J. Chem. Theory Comput. 2010, 6, 107-126.

oPBE oPBE-D
# Result Res. - Ref. Result Res. - Ref.
1 4.05 -0.9576 4.74 -0.2736
2 12.63 -3.1717 14.99 -0.8147
3 23.50 -3.8973 27.12 -0.2763
4 31.27 -4.6294 35.61 -0.2874
5 36.15 -9.8461 44.34 -1.6581
6 36.68 -9.1156 44.45 -1.3516
7 38.19 -7.1106 44.58 -0.7186
8 38.72 -5.5821 43.71 -0.5871
9 58.88 -13.7195 70.90 -1.6985
10 58.83 -13.7659 70.85 -1.7459
11 167.20 -32.8980 196.20 -3.8980
12 160.68 -51.9237 199.50 -13.1017
13 163.48 -51.5246 200.39 -14.6146
14 167.04 -50.8632 202.84 -15.0632
15 34.82 1.3237 35.63 2.1317
16 56.78 -0.1203 58.66 1.7637
17 74.82 -1.6795 77.65 1.1485
18 109.20 -8.5963 117.71 -0.0863
19 109.30 -5.6024 115.25 0.3486
20 27.32 0.7215 27.76 1.1615
21 47.81 -0.5914 48.99 0.5856
22 65.20 -2.3997 67.59 -0.0137
23 77.65 -7.1533 83.42 -1.3813
24 77.99 -6.8092 84.36 -0.4412
25 89.94 -10.7631 99.35 -1.3451
26 102.99 -12.7079 114.32 -1.3769
27 19.32 -9.1767 21.73 -6.7687
MD -11.95 -2.24
MAD 12.10 2.76
RMSD 19.52 5.10
max 1.32 2.13
min -51.92 -15.06