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PCONF21 results

Density functional: M062X

Reference values and deviations (result - reference) of the respective functional
w/o dispersion correction, D3(0) dispersion correction, and D3(BJ) dispersion correction in kcal/mol.

# Systems Stoichiometry Ref. without D3(0)
1 99 444 -1 1 0.02 1.94 2.04
2 99 357 -1 1 1.01 0.52 0.60
3 99 366 -1 1 0.70 1.41 1.86
4 99 215 -1 1 0.85 1.40 1.44
5 99 300 -1 1 0.78 1.28 1.61
6 99 114 -1 1 1.92 0.21 0.30
7 99 412 -1 1 2.18 0.27 0.26
8 99 691 -1 1 1.61 1.51 1.86
9 99 470 -1 1 1.89 1.14 1.23
10 99 224 -1 1 2.07 1.42 1.45
11 GLY_ab GLY_aR -1 1 1.07 -0.44 -1.02
12 GLY_ab GLY_pII -1 1 1.23 0.29 0.23
13 GLY_ab GLY_aL -1 1 2.44 -0.77 -1.33
14 GLY_ab GLY_b -1 1 2.14 0.70 0.64
15 SER_ab SER_aR -1 1 1.47 -0.74 -1.31
16 SER_ab SER_pII -1 1 2.80 -0.06 -0.14
17 SER_ab SER_aL -1 1 2.27 -1.27 -1.80
18 SER_ab SER_b -1 1 2.74 0.53 0.46
MD 0.52 0.47
MAD 0.88 1.09
RMSD 1.03 1.26