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HEAVY28 results

Density functional: VV10

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. VV10
1 bih3_2 i bih3 -1 2 1.16 0.26
2 bih3_h2o bih3 h2o -1 1 1 2.49 0.80
3 bih3_h2s bih3 h2s -1 1 1 1.36 0.25
4 bih3_hcl bih3 hcl -1 1 1 0.77 0.23
5 bih3_hbr bih3 hbr -1 1 1 0.98 0.32
6 bih3_hi bih3 hi -1 1 1 1.30 0.57
7 bih3_nh3 bih3 nh3 -1 1 1 0.60 0.58
8 pbh4_2 pbh4 -1 2 1.25 0.03
9 pbh4_bih3 pbh4 bih3 -1 1 1 0.55 0.22
10 pbh4_h2o pbh4 h2o -1 1 1 0.36 0.13
11 pbh4_hcl pbh4 hcl -1 1 1 0.75 0.03
12 pbh4_hbr pbh4 hbr -1 1 1 0.93 0.05
13 pbh4_hi pbh4 hi -1 1 1 1.18 0.17
14 pbh4_teh2 pbh4 teh2 -1 1 1 0.65 0.22
15 sbh3_2 sbh3 -1 2 1.28 0.24
16 sbh3_h2o sbh3 h2o -1 1 1 1.57 0.57
17 sbh3_h2s sbh3 h2s -1 1 1 1.06 0.32
18 sbh3_hcl sbh3 hcl -1 1 1 2.02 0.75
19 sbh3_hbr sbh3 hbr -1 1 1 1.89 0.78
20 sbh3_hi sbh3 hi -1 1 1 1.49 0.76
21 sbh3_nh3 sbh3 nh3 -1 1 1 2.84 0.94
22 teh2_2 teh2 -1 2 0.52 0.16
23 teh2_h2o teh2 h2o -1 1 1 0.68 0.41
24 teh2_h2s teh2 h2s -1 1 1 0.48 0.10
25 teh2_hcl teh2 hcl -1 1 1 1.23 0.28
26 teh2_hbr teh2 hbr -1 1 1 1.22 0.33
27 teh2_hi teh2 hi -1 1 1 0.80 0.31
28 teh2_nh3 teh2 nh3 -1 1 1 3.35 1.24
MD 0.39
MAD 0.39
RMSD 0.50