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HEAVY28 results

Density functional: N12

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 -2.38 0.13
2 bih3_h2o bih3 h2o -1 1 1 2.49 -1.44 0.11
3 bih3_h2s bih3 h2s -1 1 1 1.36 -2.25 -0.13
4 bih3_hcl bih3 hcl -1 1 1 0.77 -1.53 0.12
5 bih3_hbr bih3 hbr -1 1 1 0.98 -1.81 0.21
6 bih3_hi bih3 hi -1 1 1 1.30 -2.13 -0.14
7 bih3_nh3 bih3 nh3 -1 1 1 0.60 -0.86 -0.03
8 pbh4_2 pbh4 -1 2 1.25 -2.96 -0.35
9 pbh4_bih3 pbh4 bih3 -1 1 1 0.55 -1.47 0.19
10 pbh4_h2o pbh4 h2o -1 1 1 0.36 -0.89 -0.28
11 pbh4_hcl pbh4 hcl -1 1 1 0.75 -1.84 0.16
12 pbh4_hbr pbh4 hbr -1 1 1 0.93 -2.14 0.49
13 pbh4_hi pbh4 hi -1 1 1 1.18 -2.67 0.60
14 pbh4_teh2 pbh4 teh2 -1 1 1 0.65 -1.59 0.27
15 sbh3_2 sbh3 -1 2 1.28 -2.72 -0.60
16 sbh3_h2o sbh3 h2o -1 1 1 1.57 -0.83 -0.03
17 sbh3_h2s sbh3 h2s -1 1 1 1.06 -1.31 -0.07
18 sbh3_hcl sbh3 hcl -1 1 1 2.02 -0.95 0.42
19 sbh3_hbr sbh3 hbr -1 1 1 1.89 -1.12 0.54
20 sbh3_hi sbh3 hi -1 1 1 1.49 -1.35 0.58
21 sbh3_nh3 sbh3 nh3 -1 1 1 2.84 -1.69 -0.17
22 teh2_2 teh2 -1 2 0.52 -1.54 0.23
23 teh2_h2o teh2 h2o -1 1 1 0.68 -0.89 -0.07
24 teh2_h2s teh2 h2s -1 1 1 0.48 -1.47 -0.25
25 teh2_hcl teh2 hcl -1 1 1 1.23 -1.86 -0.18
26 teh2_hbr teh2 hbr -1 1 1 1.22 -1.95 -0.07
27 teh2_hi teh2 hi -1 1 1 0.80 -1.51 0.41
28 teh2_nh3 teh2 nh3 -1 1 1 3.35 -1.26 0.38
MD -1.66 0.09
MAD 1.66 0.26
RMSD 1.75 0.31