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HEAVYSB11 results

Density functional: X3LYP

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 geh3 ge2h6 2 -1 73.82 -5.82 -4.78 -1.99
2 snme3 sn2me6 2 -1 61.74 -8.39 -5.66 -1.02
3 pbme3 pb2me6 2 -1 52.92 -11.48 -8.64 -2.45
4 sh h2s2 2 -1 67.85 -5.85 -5.49 -3.23
5 seh h2se2 2 -1 58.37 -4.79 -4.32 -0.96
6 teme te2me2 2 -1 52.91 -5.95 -4.20 1.99
7 pme2 p2me4 2 -1 61.85 -12.01 -7.97 -4.07
8 asme2 as2me4 2 -1 52.18 -9.66 -5.53 -0.54
9 sbme2 sb2me4 2 -1 43.79 -7.37 -3.81 3.26
10 cl cl2 2 -1 59.65 -4.23 -4.23 -2.76
11 br br2 2 -1 53.17 -3.94 -3.92 -1.36
MD -7.23 -5.32 -1.19
MAD 7.23 5.32 2.15
RMSD 7.71 5.54 2.40