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PCONF21 results

Density functional: N12SX

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 -3.34 -0.89
2 99 357 -1 1 1.01 -2.29 -1.26
3 99 366 -1 1 0.70 -3.37 0.96
4 99 215 -1 1 0.85 -2.70 -0.77
5 99 300 -1 1 0.78 -3.06 0.78
6 99 114 -1 1 1.92 -2.09 -1.21
7 99 412 -1 1 2.18 -0.67 -0.07
8 99 691 -1 1 1.61 -3.05 0.73
9 99 470 -1 1 1.89 -2.56 -0.16
10 99 224 -1 1 2.07 -2.62 -1.00
11 GLY_ab GLY_aR -1 1 1.07 5.04 1.04
12 GLY_ab GLY_pII -1 1 1.23 2.52 1.62
13 GLY_ab GLY_aL -1 1 2.44 5.29 1.22
14 GLY_ab GLY_b -1 1 2.14 0.01 -0.18
15 SER_ab SER_aR -1 1 1.47 4.92 1.07
16 SER_ab SER_pII -1 1 2.80 2.64 1.53
17 SER_ab SER_aL -1 1 2.27 5.27 1.29
18 SER_ab SER_b -1 1 2.74 0.15 0.04
MD 0.01 0.26
MAD 2.86 0.88
RMSD 3.25 1.00