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DIPCS10 results

Density functional: XLYP

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 c4h4 c4h4_2+ -1 1 529.2 -10.20 -10.18 -10.05
2 c2h6 c2h6_2+ -1 1 667.1 -11.03 -10.82 -10.97
3 c2h4 c2h4_2+ -1 1 655.8 -11.54 -11.56 -11.48
4 n2h2 n2h2_2+ -1 1 626.9 0.66 0.53 0.72
5 nh3 nh3_2+ -1 1 776.5 -1.86 -2.01 -1.86
6 ch2o ch2o_2+ -1 1 747.6 -7.28 -7.59 -7.31
7 h2s h2s_2+ -1 1 733.0 -6.71 -6.76 -6.70
8 ph3 ph3_2+ -1 1 649.6 -5.77 -5.95 -5.72
9 mg mg_2+ -1 1 522.1 13.24 13.24 13.24
10 be be_2+ -1 1 634.8 3.18 3.18 3.18
MD -3.73 -3.79 -3.70
MAD 7.15 7.18 7.12
RMSD 8.24 8.26 8.21