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PCONF21 results

Density functional: MN12SX

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(BJ)
1 99 444 -1 1 0.02 2.59 3.47
2 99 357 -1 1 1.01 1.09 1.47
3 99 366 -1 1 0.70 0.89 2.67
4 99 215 -1 1 0.85 2.04 2.69
5 99 300 -1 1 0.78 0.75 2.29
6 99 114 -1 1 1.92 0.49 0.82
7 99 412 -1 1 2.18 0.51 0.71
8 99 691 -1 1 1.61 1.24 2.73
9 99 470 -1 1 1.89 0.75 1.57
10 99 224 -1 1 2.07 1.93 2.45
11 GLY_ab GLY_aR -1 1 1.07 0.49 -1.19
12 GLY_ab GLY_pII -1 1 1.23 0.46 0.13
13 GLY_ab GLY_aL -1 1 2.44 0.06 -1.61
14 GLY_ab GLY_b -1 1 2.14 0.72 0.60
15 SER_ab SER_aR -1 1 1.47 0.10 -1.53
16 SER_ab SER_pII -1 1 2.80 0.23 -0.19
17 SER_ab SER_aL -1 1 2.27 -0.41 -2.03
18 SER_ab SER_b -1 1 2.74 0.62 0.51
MD 0.81 0.87
MAD 0.85 1.59
RMSD 1.09 1.86