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HEAVY28 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 bih3_2 i bih3 -1 2 1.16 -0.34 0.22
2 bih3_h2o bih3 h2o -1 1 1 2.49 -0.08 0.35
3 bih3_h2s bih3 h2s -1 1 1 1.36 -0.34 0.19
4 bih3_hcl bih3 hcl -1 1 1 0.77 -0.23 0.09
5 bih3_hbr bih3 hbr -1 1 1 0.98 -0.33 0.10
6 bih3_hi bih3 hi -1 1 1 1.30 -0.28 0.36
7 bih3_nh3 bih3 nh3 -1 1 1 0.60 -0.05 0.13
8 pbh4_2 pbh4 -1 2 1.25 -0.44 0.19
9 pbh4_bih3 pbh4 bih3 -1 1 1 0.55 -0.42 -0.14
10 pbh4_h2o pbh4 h2o -1 1 1 0.36 -0.33 -0.22
11 pbh4_hcl pbh4 hcl -1 1 1 0.75 -0.34 -0.00
12 pbh4_hbr pbh4 hbr -1 1 1 0.93 -0.41 0.01
13 pbh4_hi pbh4 hi -1 1 1 1.18 -0.42 0.18
14 pbh4_teh2 pbh4 teh2 -1 1 1 0.65 -0.37 -0.08
15 sbh3_2 sbh3 -1 2 1.28 -0.35 0.31
16 sbh3_h2o sbh3 h2o -1 1 1 1.57 -0.10 0.19
17 sbh3_h2s sbh3 h2s -1 1 1 1.06 -0.24 0.08
18 sbh3_hcl sbh3 hcl -1 1 1 2.02 -0.10 0.31
19 sbh3_hbr sbh3 hbr -1 1 1 1.89 -0.18 0.25
20 sbh3_hi sbh3 hi -1 1 1 1.49 -0.17 0.28
21 sbh3_nh3 sbh3 nh3 -1 1 1 2.84 -0.04 0.48
22 teh2_2 teh2 -1 2 0.52 -0.21 0.14
23 teh2_h2o teh2 h2o -1 1 1 0.68 -0.11 0.08
24 teh2_h2s teh2 h2s -1 1 1 0.48 -0.24 0.04
25 teh2_hcl teh2 hcl -1 1 1 1.23 -0.38 0.05
26 teh2_hbr teh2 hbr -1 1 1 1.22 -0.24 0.21
27 teh2_hi teh2 hi -1 1 1 0.80 -0.26 0.06
28 teh2_nh3 teh2 nh3 -1 1 1 3.35 -0.08 0.42
MD -0.25 0.15
MAD 0.25 0.18
RMSD 0.28 0.22