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DIPCS10 results

Density functional: PBE0

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 -7.33 -7.32 -7.29
2 c2h6 c2h6_2+ -1 1 667.1 -4.83 -4.79 -4.81
3 c2h4 c2h4_2+ -1 1 655.8 -6.36 -6.37 -6.35
4 n2h2 n2h2_2+ -1 1 626.9 2.28 2.24 2.30
5 nh3 nh3_2+ -1 1 776.5 0.25 0.21 0.25
6 ch2o ch2o_2+ -1 1 747.6 0.95 0.81 0.94
7 h2s h2s_2+ -1 1 733.0 0.88 0.86 0.88
8 ph3 ph3_2+ -1 1 649.6 -1.69 -1.78 -1.68
9 mg mg_2+ -1 1 522.1 3.06 3.06 3.06
10 be be_2+ -1 1 634.8 -2.31 -2.31 -2.31
MD -1.51 -1.54 -1.50
MAD 2.99 2.98 2.99
RMSD 3.77 3.76 3.76