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IL16 results

Density functional: N12

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 3.04 -2.00
2 144 144A 144B 1 -1 -1 -120.80 2.92 -1.75
3 147 147A 147B 1 -1 -1 -116.91 2.89 -1.80
4 148 148A 148B 1 -1 -1 -105.01 0.97 -0.90
5 150 150A 150B 1 -1 -1 -104.44 2.38 -1.01
6 152 152A 152B 1 -1 -1 -87.42 3.62 -1.56
7 187 187A 187B 1 -1 -1 -114.00 2.48 -1.31
8 202 202A 202B 1 -1 -1 -113.51 1.70 -1.40
9 212 212A 212B 1 -1 -1 -114.91 1.04 -1.54
10 213 213A 213B 1 -1 -1 -112.75 2.49 -1.85
11 214 214A 214B 1 -1 -1 -104.47 4.69 -2.74
12 227 227A 227B 1 -1 -1 -118.19 0.40 -2.30
13 228 228A 228B 1 -1 -1 -112.02 1.82 -1.60
14 229 229A 229B 1 -1 -1 -106.53 3.09 -2.75
15 230 230A 230B 1 -1 -1 -110.98 1.95 -2.21
16 231 231A 231B 1 -1 -1 -102.37 2.91 -2.23
MD 2.40 -1.81
MAD 2.40 1.81
RMSD 2.62 1.88