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ICONF results

Density functional: DSD-PBEB95

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 N3H5_1 N3H5_2 -1 1 0.90 0.03 0.05
2 N3H5_1 N3H5_3 -1 1 5.29 -0.02 0.02
3 N4H6_1 N4H6_2 -1 1 0.13 0.42 0.44
4 N4H6_1 N4H6_3 -1 1 2.33 0.39 0.43
5 N3P3H12_1 N3P3H12_2 -1 1 12.16 0.04 0.02
6 SI5H12_1 SI5H12_2 -1 1 0.10 -0.22 -0.00
7 SI5H12_1 SI5H12_3 -1 1 1.03 -0.08 -0.14
8 SI5H12_1 SI5H12_4 -1 1 3.51 0.22 0.07
9 SI6H12_1 SI6H12_2 -1 1 1.69 -0.10 -0.33
10 P7H7_1 P7H7_2 -1 1 1.40 0.09 0.06
11 S4O4_1 S4O4_2 -1 1 4.39 -0.05 -0.20
12 S8_1 S8_2 -1 1 9.16 -0.19 -0.88
13 H2S2O7_1 H2S2O7_2 -1 1 0.55 0.00 -0.01
14 H2S2O7_1 H2S2O7_3 -1 1 3.55 -0.33 -0.16
15 H4P2O7_1 H4P2O7_2 -1 1 1.33 0.04 0.01
16 H4P2O7_1 H4P2O7_3 -1 1 3.66 -0.01 0.10
17 H4P2O7_1 H4P2O7_4 -1 1 4.35 -0.13 0.23
MD 0.01 -0.02
MAD 0.14 0.19
RMSD 0.19 0.29