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The G21IP subset - Results for HF

All results were obtained with the def2-TZVPP and def2-QZVP basis sets and extrapolated to the CBS limit.
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.

HF HF-D3 HF-D3(BJ)
# Result Res. - Ref. Result Res. - Ref. Result Res. - Ref.
1 313.77 -1.1292 313.77 -1.1292 313.77 -1.1292
2 123.21 -0.0937 123.21 -0.0937 123.21 -0.0937
3 185.48 -29.4192 185.48 -29.4192 185.48 -29.4192
4 185.48 -4.9225 185.48 -4.9225 185.48 -4.9225
5 249.06 -10.5370 249.06 -10.5370 249.06 -10.5370
6 320.40 -14.9041 320.40 -14.9041 320.40 -14.9041
7 277.26 -36.5402 277.26 -36.5402 277.26 -36.5402
8 360.90 -40.8017 360.90 -40.8017 360.90 -40.8017
9 114.26 -4.2407 114.26 -4.2407 114.26 -4.2407
10 152.30 -24.0031 152.30 -24.0031 152.30 -24.0031
11 129.42 -8.5826 129.42 -8.5826 129.42 -8.5826
12 176.10 -11.9019 176.10 -11.9019 176.10 -11.9019
13 228.44 -13.4565 228.44 -13.4565 228.44 -13.4565
14 212.99 -26.0060 212.99 -26.0060 212.99 -26.0060
15 271.23 -27.8718 271.23 -27.8718 271.23 -27.8718
16 275.75 -20.5921 275.68 -20.6574 275.93 -20.4079
17 198.78 -36.9069 198.76 -36.9324 198.96 -36.7303
18 261.78 -39.1332 261.78 -39.1332 261.78 -39.1331
19 252.31 -40.3411 252.30 -40.3456 252.34 -40.3055
20 328.39 -42.9202 328.39 -42.9206 328.39 -42.9188
21 234.06 -21.3306 234.17 -21.2183 232.45 -22.9334
22 222.68 -11.4263 222.68 -11.4264 222.68 -11.4241
23 215.14 -11.2239 215.14 -11.2257 215.15 -11.2151
24 197.00 -30.8210 196.84 -30.9837 197.44 -30.3800
25 211.63 -27.6688 211.63 -27.6690 211.64 -27.6627
26 265.44 -29.0192 265.44 -29.0197 265.45 -29.0103
27 225.96 -38.6245 225.93 -38.6562 226.14 -38.4480
28 204.86 -38.8471 204.82 -38.8875 205.24 -38.4711
29 299.59 -23.3980 299.59 -23.3979 299.59 -23.3998
30 361.50 2.1348 361.50 2.1348 361.50 2.1364
31 279.98 2.2511 279.98 2.2514 279.97 2.2400
32 231.94 -10.9186 231.94 -10.9185 231.93 -10.9256
33 213.37 -2.3697 213.37 -2.3676 213.19 -2.5476
34 250.35 -14.7298 250.36 -14.7235 250.07 -15.0175
35 269.69 -22.0071 269.69 -22.0048 269.63 -22.0724
36 226.82 -34.3306 226.82 -34.3300 226.79 -34.3633
MD -20.74 -20.75 -20.76
MAD 20.98 20.99 21.00
RMSD 24.88 24.89 24.88