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UPU23 results

Density functional: DSD-PBEP86

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 2p 1a -1 1 4.87 2.03 0.27
2 2p 1b -1 1 2.97 2.40 0.64
3 2p 1c -1 1 8.90 1.66 0.42
4 2p 1g -1 1 2.22 0.93 0.17
5 2p 1p -1 1 2.02 1.64 0.43
6 2p 2a -1 1 3.14 -0.25 -0.25
7 2p 5z -1 1 0.57 2.16 -0.61
8 2p 6p -1 1 3.32 -0.17 -0.02
9 2p 7a -1 1 7.26 1.53 1.05
10 2p aa -1 1 3.96 1.14 0.22
11 2p 1e -1 1 11.13 0.75 0.60
12 2p 0a -1 1 4.82 1.06 1.03
13 2p 1f -1 1 14.41 -0.40 -0.38
14 2p 9a -1 1 5.15 0.72 0.23
15 2p 4b -1 1 5.48 0.24 0.15
16 2p 3a -1 1 6.84 -0.02 0.30
17 2p 7p -1 1 3.90 -0.28 -0.08
18 2p 8d -1 1 6.43 -0.17 0.01
19 2p 3d -1 1 5.42 -0.31 0.09
20 2p 0b -1 1 6.70 0.24 -0.22
21 2p 1m -1 1 5.60 0.80 0.92
22 2p 2h -1 1 10.42 -0.31 0.31
23 2p 3b -1 1 6.09 0.32 0.45
MD 0.68 0.25
MAD 0.85 0.38
RMSD 1.11 0.48