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IL16 results

Density functional: MN12L

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)
1 008 008A 008B 1 -1 -1 -100.41 0.61 -0.13
2 144 144A 144B 1 -1 -1 -120.80 1.17 0.51
3 147 147A 147B 1 -1 -1 -116.91 1.02 0.37
4 148 148A 148B 1 -1 -1 -105.01 2.73 2.31
5 150 150A 150B 1 -1 -1 -104.44 1.74 1.25
6 152 152A 152B 1 -1 -1 -87.42 1.93 1.02
7 187 187A 187B 1 -1 -1 -114.00 2.33 1.65
8 202 202A 202B 1 -1 -1 -113.51 2.94 2.36
9 212 212A 212B 1 -1 -1 -114.91 2.85 2.38
10 213 213A 213B 1 -1 -1 -112.75 1.44 0.93
11 214 214A 214B 1 -1 -1 -104.47 1.30 0.30
12 227 227A 227B 1 -1 -1 -118.19 2.35 1.93
13 228 228A 228B 1 -1 -1 -112.02 1.33 0.95
14 229 229A 229B 1 -1 -1 -106.53 1.75 0.97
15 230 230A 230B 1 -1 -1 -110.98 2.59 1.79
16 231 231A 231B 1 -1 -1 -102.37 1.89 1.08
MD 1.87 1.23
MAD 1.87 1.25
RMSD 1.99 1.44