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YBDE18 results

Density functional: M11L

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)
1 f2s-cbh22 f2s cbh22 -1 1 1 57.17 -2.55 -1.07
2 f2s-ch2 f2s ch2 -1 1 1 91.14 3.44 3.95
3 h2s-cbh22 h2s cbh22 -1 1 1 20.96 -5.05 -3.70
4 h2s-ch2 h2s ch2 -1 1 1 36.40 5.55 5.93
5 me2s-cbh22 me2s cbh22 -1 1 1 38.99 -6.44 -4.04
6 me2s-ch2 me2s ch2 -1 1 1 51.74 4.08 5.02
7 nf3-cbh22 nf3 cbh22 -1 1 1 12.31 -10.91 -9.21
8 nf3-ch2 nf3 ch2 -1 1 1 53.73 -7.00 -6.17
9 nh3-cbh22 nh3 cbh22 -1 1 1 32.58 -7.86 -6.60
10 nh3-ch2 nh3 ch2 -1 1 1 28.87 3.13 3.58
11 nme3-cbh22 nme3 cbh22 -1 1 1 42.11 -14.44 -11.22
12 nme3-ch2 nme3 ch2 -1 1 1 42.81 -1.62 0.08
13 pf3-cbh22 pf3 cbh22 -1 1 1 52.28 0.11 1.80
14 pf3-ch2 pf3 ch2 -1 1 1 76.37 6.98 7.66
15 ph3-cbh22 ph3 cbh22 -1 1 1 44.80 -6.23 -4.85
16 ph3-ch2 ph3 ch2 -1 1 1 60.11 3.27 3.75
17 pme3-cbh22 pme3 cbh22 -1 1 1 66.59 -6.59 -4.07
18 pme3-ch2 pme3 ch2 -1 1 1 78.00 2.83 3.68
MD -2.18 -0.86
MAD 5.45 4.80
RMSD 6.38 5.49