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HEAVY28 results

Density functional: M11L

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 bih3_2 i bih3 -1 2 1.16 -0.52 0.60
2 bih3_h2o bih3 h2o -1 1 1 2.49 0.03 0.71
3 bih3_h2s bih3 h2s -1 1 1 1.36 -0.51 0.43
4 bih3_hcl bih3 hcl -1 1 1 0.77 -0.48 0.26
5 bih3_hbr bih3 hbr -1 1 1 0.98 -0.45 0.46
6 bih3_hi bih3 hi -1 1 1 1.30 -0.57 0.31
7 bih3_nh3 bih3 nh3 -1 1 1 0.60 -0.67 -0.32
8 pbh4_2 pbh4 -1 2 1.25 0.19 1.33
9 pbh4_bih3 pbh4 bih3 -1 1 1 0.55 -0.81 -0.09
10 pbh4_h2o pbh4 h2o -1 1 1 0.36 -0.89 -0.67
11 pbh4_hcl pbh4 hcl -1 1 1 0.75 -0.69 0.19
12 pbh4_hbr pbh4 hbr -1 1 1 0.93 -0.64 0.53
13 pbh4_hi pbh4 hi -1 1 1 1.18 -0.59 0.88
14 pbh4_teh2 pbh4 teh2 -1 1 1 0.65 -0.82 -0.00
15 sbh3_2 sbh3 -1 2 1.28 -0.09 0.85
16 sbh3_h2o sbh3 h2o -1 1 1 1.57 -0.53 -0.19
17 sbh3_h2s sbh3 h2s -1 1 1 1.06 -0.60 -0.07
18 sbh3_hcl sbh3 hcl -1 1 1 2.02 -0.68 -0.08
19 sbh3_hbr sbh3 hbr -1 1 1 1.89 -0.66 0.08
20 sbh3_hi sbh3 hi -1 1 1 1.49 -0.69 0.17
21 sbh3_nh3 sbh3 nh3 -1 1 1 2.84 0.20 0.85
22 teh2_2 teh2 -1 2 0.52 -0.85 -0.06
23 teh2_h2o teh2 h2o -1 1 1 0.68 -0.84 -0.49
24 teh2_h2s teh2 h2s -1 1 1 0.48 -0.55 -0.02
25 teh2_hcl teh2 hcl -1 1 1 1.23 -0.17 0.58
26 teh2_hbr teh2 hbr -1 1 1 1.22 -0.37 0.46
27 teh2_hi teh2 hi -1 1 1 0.80 -0.69 0.15
28 teh2_nh3 teh2 nh3 -1 1 1 3.35 -0.06 0.66
MD -0.50 0.27
MAD 0.53 0.41
RMSD 0.59 0.52