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IL16 results

Density functional: revTPSS0

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 2.79 0.29 0.06
2 144 144A 144B 1 -1 -1 -120.80 2.38 -0.31 0.12
3 147 147A 147B 1 -1 -1 -116.91 2.37 -0.32 0.12
4 148 148A 148B 1 -1 -1 -105.01 2.08 1.09 0.75
5 150 150A 150B 1 -1 -1 -104.44 2.48 0.60 0.86
6 152 152A 152B 1 -1 -1 -87.42 3.12 0.15 0.54
7 187 187A 187B 1 -1 -1 -114.00 3.43 1.42 1.13
8 202 202A 202B 1 -1 -1 -113.51 3.20 1.50 1.17
9 212 212A 212B 1 -1 -1 -114.91 2.62 1.22 0.93
10 213 213A 213B 1 -1 -1 -112.75 2.77 0.35 0.87
11 214 214A 214B 1 -1 -1 -104.47 4.07 -0.06 0.64
12 227 227A 227B 1 -1 -1 -118.19 2.29 0.89 0.67
13 228 228A 228B 1 -1 -1 -112.02 1.89 0.04 0.53
14 229 229A 229B 1 -1 -1 -106.53 3.08 -0.22 0.41
15 230 230A 230B 1 -1 -1 -110.98 2.43 -0.04 0.15
16 231 231A 231B 1 -1 -1 -102.37 2.37 -0.48 -0.24
MD 2.71 0.38 0.54
MAD 2.71 0.56 0.57
RMSD 2.76 0.74 0.67