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IL16 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)
1 008 008A 008B 1 -1 -1 -100.41 2.30 0.01
2 144 144A 144B 1 -1 -1 -120.80 1.46 -0.59
3 147 147A 147B 1 -1 -1 -116.91 1.64 -0.40
4 148 148A 148B 1 -1 -1 -105.01 0.89 -0.26
5 150 150A 150B 1 -1 -1 -104.44 1.79 0.33
6 152 152A 152B 1 -1 -1 -87.42 2.58 0.19
7 187 187A 187B 1 -1 -1 -114.00 1.79 -0.22
8 202 202A 202B 1 -1 -1 -113.51 1.31 -0.44
9 212 212A 212B 1 -1 -1 -114.91 0.80 -0.64
10 213 213A 213B 1 -1 -1 -112.75 2.03 0.33
11 214 214A 214B 1 -1 -1 -104.47 3.47 0.39
12 227 227A 227B 1 -1 -1 -118.19 0.40 -0.96
13 228 228A 228B 1 -1 -1 -112.02 1.61 0.38
14 229 229A 229B 1 -1 -1 -106.53 2.31 -0.11
15 230 230A 230B 1 -1 -1 -110.98 1.21 -0.90
16 231 231A 231B 1 -1 -1 -102.37 2.18 -0.14
MD 1.74 -0.19
MAD 1.74 0.39
RMSD 1.88 0.47