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IL16 results

Density functional: revPBE

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 6.08 0.73 0.86
2 144 144A 144B 1 -1 -1 -120.80 5.45 0.32 0.63
3 147 147A 147B 1 -1 -1 -116.91 5.01 -0.15 0.20
4 148 148A 148B 1 -1 -1 -105.01 3.67 1.69 1.04
5 150 150A 150B 1 -1 -1 -104.44 5.52 1.64 1.92
6 152 152A 152B 1 -1 -1 -87.42 6.13 0.67 1.15
7 187 187A 187B 1 -1 -1 -114.00 5.32 1.39 0.95
8 202 202A 202B 1 -1 -1 -113.51 4.60 1.36 0.74
9 212 212A 212B 1 -1 -1 -114.91 3.88 1.14 0.54
10 213 213A 213B 1 -1 -1 -112.75 5.58 0.66 1.23
11 214 214A 214B 1 -1 -1 -104.47 7.70 -0.36 0.55
12 227 227A 227B 1 -1 -1 -118.19 3.60 0.71 0.27
13 228 228A 228B 1 -1 -1 -112.02 4.14 0.16 0.82
14 229 229A 229B 1 -1 -1 -106.53 5.74 -0.50 0.23
15 230 230A 230B 1 -1 -1 -110.98 5.19 0.75 0.69
16 231 231A 231B 1 -1 -1 -102.37 5.06 -0.61 -0.56
MD 5.17 0.60 0.70
MAD 5.17 0.80 0.77
RMSD 5.27 0.94 0.88