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PA26 results

Density functional: MN15L

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)
1 p2 p2p 1 -1 167.2 2.79 2.79
2 p4 p4p 1 -1 192.9 4.70 4.70
3 p6 p6p 1 -1 209.2 6.06 6.06
4 p8 p8p 1 -1 219.2 7.37 7.37
5 nh3 nh3p 1 -1 211.9 -1.62 -1.62
6 h2o h2op 1 -1 171.4 0.91 0.91
7 c2h2 c2h2p 1 -1 157.4 4.06 4.06
8 sih4 sih4p 1 -1 156.9 -4.92 -4.92
9 ph3 ph3p 1 -1 192.8 -1.55 -1.55
10 h2s h2sp 1 -1 174.3 -1.26 -1.26
11 hcl hclp 1 -1 137.8 -0.55 -0.55
12 h2 h2p 1 -1 106.2 2.22 2.22
13 c2f6 c2f6p 1 -1 120.8 4.49 4.49
14 ethanol ethanolp 1 -1 191.9 -1.32 -1.32
15 ch3cooh ch3coohp 1 -1 190.9 2.18 2.18
16 gly glyp 1 -1 218.2 -1.81 -1.81
17 phenol phenolp 1 -1 200.4 2.13 2.13
18 ass assp 1 -1 210.2 1.03 1.04
19 ch2s ch2sp 1 -1 188.3 0.57 0.57
20 si2h6 si2h6p 1 -1 181.9 -1.94 -1.94
21 cys cysp 1 -1 221.3 -0.78 -0.78
22 phosphapyrrol phosphapyrrolp 1 -1 219.6 -0.04 -0.04
23 A Ap 1 -1 192.9 1.51 1.51
24 T Tp 1 -1 210.7 1.21 1.21
25 G Gp 1 -1 236.0 -0.80 -0.80
26 C Cp 1 -1 235.1 -0.76 -0.76
MD 0.92 0.92
MAD 2.25 2.25
RMSD 2.91 2.91