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YBDE18 results

Density functional: MN12L

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(BJ)
1 f2s-cbh22 f2s cbh22 -1 1 1 57.17 -7.72 -7.02
2 f2s-ch2 f2s ch2 -1 1 1 91.14 5.07 5.32
3 h2s-cbh22 h2s cbh22 -1 1 1 20.96 -8.45 -7.81
4 h2s-ch2 h2s ch2 -1 1 1 36.40 6.85 7.08
5 me2s-cbh22 me2s cbh22 -1 1 1 38.99 -9.10 -7.97
6 me2s-ch2 me2s ch2 -1 1 1 51.74 4.79 5.23
7 nf3-cbh22 nf3 cbh22 -1 1 1 12.31 -9.02 -8.62
8 nf3-ch2 nf3 ch2 -1 1 1 53.73 0.77 0.93
9 nh3-cbh22 nh3 cbh22 -1 1 1 32.58 -6.32 -5.99
10 nh3-ch2 nh3 ch2 -1 1 1 28.87 7.73 7.86
11 nme3-cbh22 nme3 cbh22 -1 1 1 42.11 -9.42 -8.30
12 nme3-ch2 nme3 ch2 -1 1 1 42.81 4.48 4.92
13 pf3-cbh22 pf3 cbh22 -1 1 1 52.28 -1.89 -1.05
14 pf3-ch2 pf3 ch2 -1 1 1 76.37 11.71 12.02
15 ph3-cbh22 ph3 cbh22 -1 1 1 44.80 -7.24 -6.48
16 ph3-ch2 ph3 ch2 -1 1 1 60.11 7.89 8.16
17 pme3-cbh22 pme3 cbh22 -1 1 1 66.59 -6.69 -5.24
18 pme3-ch2 pme3 ch2 -1 1 1 78.00 6.95 7.52
MD -0.53 0.03
MAD 6.78 6.53
RMSD 7.26 7.01