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IL16 results

Density functional: MN15L

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)
1 008 008A 008B 1 -1 -1 -100.41 1.06 1.06
2 144 144A 144B 1 -1 -1 -120.80 1.25 1.25
3 147 147A 147B 1 -1 -1 -116.91 0.89 0.89
4 148 148A 148B 1 -1 -1 -105.01 4.17 4.17
5 150 150A 150B 1 -1 -1 -104.44 3.10 3.10
6 152 152A 152B 1 -1 -1 -87.42 2.41 2.41
7 187 187A 187B 1 -1 -1 -114.00 3.08 3.08
8 202 202A 202B 1 -1 -1 -113.51 3.43 3.43
9 212 212A 212B 1 -1 -1 -114.91 3.67 3.67
10 213 213A 213B 1 -1 -1 -112.75 2.29 2.29
11 214 214A 214B 1 -1 -1 -104.47 0.86 0.86
12 227 227A 227B 1 -1 -1 -118.19 3.70 3.70
13 228 228A 228B 1 -1 -1 -112.02 2.14 2.14
14 229 229A 229B 1 -1 -1 -106.53 1.43 1.43
15 230 230A 230B 1 -1 -1 -110.98 3.13 3.13
16 231 231A 231B 1 -1 -1 -102.37 1.76 1.75
MD 2.40 2.40
MAD 2.40 2.40
RMSD 2.62 2.62