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IL16 results

Density functional: DSD-BLYP

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) D3(BJ)
1 008 008A 008B 1 -1 -1 -100.41 2.51 1.05 0.99
2 144 144A 144B 1 -1 -1 -120.80 1.52 0.19 0.35
3 147 147A 147B 1 -1 -1 -116.91 1.55 0.21 0.38
4 148 148A 148B 1 -1 -1 -105.01 1.41 0.88 0.67
5 150 150A 150B 1 -1 -1 -104.44 1.61 0.63 0.75
6 152 152A 152B 1 -1 -1 -87.42 1.94 0.45 0.64
7 187 187A 187B 1 -1 -1 -114.00 1.79 0.71 0.58
8 202 202A 202B 1 -1 -1 -113.51 1.85 0.98 0.78
9 212 212A 212B 1 -1 -1 -114.91 1.41 0.68 0.49
10 213 213A 213B 1 -1 -1 -112.75 1.80 0.56 0.78
11 214 214A 214B 1 -1 -1 -104.47 2.43 0.30 0.65
12 227 227A 227B 1 -1 -1 -118.19 1.28 0.51 0.38
13 228 228A 228B 1 -1 -1 -112.02 1.50 0.51 0.75
14 229 229A 229B 1 -1 -1 -106.53 1.61 -0.04 0.25
15 230 230A 230B 1 -1 -1 -110.98 1.26 0.08 0.11
16 231 231A 231B 1 -1 -1 -102.37 1.88 0.40 0.44
MD 1.71 0.51 0.56
MAD 1.71 0.51 0.56
RMSD 1.74 0.59 0.61