back to GMTKN55 main page   back to GMTKN55 database sorted by functionals
back to IL16 main page   back to BMK main page

IL16 results

Density functional: BMK

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 4.42 0.10 1.22
2 144 144A 144B 1 -1 -1 -120.80 2.75 -0.92 0.23
3 147 147A 147B 1 -1 -1 -116.91 2.96 -0.75 0.45
4 148 148A 148B 1 -1 -1 -105.01 3.62 2.09 2.07
5 150 150A 150B 1 -1 -1 -104.44 3.60 0.89 1.79
6 152 152A 152B 1 -1 -1 -87.42 3.66 -0.35 0.75
7 187 187A 187B 1 -1 -1 -114.00 3.90 0.76 1.22
8 202 202A 202B 1 -1 -1 -113.51 3.72 1.18 1.38
9 212 212A 212B 1 -1 -1 -114.91 3.38 1.25 1.43
10 213 213A 213B 1 -1 -1 -112.75 3.70 0.24 1.59
11 214 214A 214B 1 -1 -1 -104.47 4.36 -1.60 0.47
12 227 227A 227B 1 -1 -1 -118.19 3.41 1.14 1.53
13 228 228A 228B 1 -1 -1 -112.02 2.92 0.14 1.41
14 229 229A 229B 1 -1 -1 -106.53 3.76 -0.85 0.75
15 230 230A 230B 1 -1 -1 -110.98 2.81 -0.36 0.24
16 231 231A 231B 1 -1 -1 -102.37 3.44 -0.69 0.49
MD 3.53 0.14 1.06
MAD 3.53 0.83 1.06
RMSD 3.56 0.98 1.20