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The ACONF subset - Results for oTPSS

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.

oTPSS oTPSS-D
# Result Res. - Ref. Result Res. - Ref.
1 0.95 0.3482 0.48 -0.1158
2 0.99 0.3766 0.48 -0.1344
3 2.01 1.0440 0.70 -0.2640
4 3.71 0.8941 2.52 -0.2959
5 0.98 0.3883 0.45 -0.1487
6 1.02 0.4155 0.46 -0.1475
7 2.07 1.1330 0.63 -0.3080
8 2.02 0.8453 0.93 -0.2487
9 1.97 0.6661 0.94 -0.3619
10 3.05 1.7979 0.76 -0.4941
11 3.63 0.9998 2.30 -0.3352
12 3.70 0.9644 2.40 -0.3406
13 4.53 1.2443 2.76 -0.5187
14 4.80 1.7148 2.45 -0.6282
15 6.65 1.7233 4.20 -0.7267
MD 0.97 -0.34
MAD 0.97 0.34
RMSD 1.08 0.38
max 1.80 -0.12
min 0.35 -0.73