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DIPCS10 results

Density functional: PBE1KCIS

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 -7.70 -7.68 -7.64
2 c2h6 c2h6_2+ -1 1 667.1 -9.76 -9.61 -9.74
3 c2h4 c2h4_2+ -1 1 655.8 -7.88 -7.88 -7.87
4 n2h2 n2h2_2+ -1 1 626.9 -0.39 -0.45 -0.38
5 nh3 nh3_2+ -1 1 776.5 0.28 0.21 0.28
6 ch2o ch2o_2+ -1 1 747.6 -3.39 -3.64 -3.41
7 h2s h2s_2+ -1 1 733.0 -1.80 -1.83 -1.80
8 ph3 ph3_2+ -1 1 649.6 -3.68 -3.83 -3.67
9 mg mg_2+ -1 1 522.1 4.77 4.77 4.77
10 be be_2+ -1 1 634.8 -3.63 -3.63 -3.63
MD -3.32 -3.36 -3.31
MAD 4.33 4.35 4.32
RMSD 5.30 5.30 5.29