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HEAVY28 results

Density functional: MN12L

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 -0.46 1.52
2 bih3_h2o bih3 h2o -1 1 1 2.49 -0.11 0.25
3 bih3_h2s bih3 h2s -1 1 1 1.36 -0.48 0.46
4 bih3_hcl bih3 hcl -1 1 1 0.77 -0.85 -0.19
5 bih3_hbr bih3 hbr -1 1 1 0.98 -0.79 0.22
6 bih3_hi bih3 hi -1 1 1 1.30 -0.72 0.97
7 bih3_nh3 bih3 nh3 -1 1 1 0.60 -0.44 -0.07
8 pbh4_2 pbh4 -1 2 1.25 -0.03 2.07
9 pbh4_bih3 pbh4 bih3 -1 1 1 0.55 -0.69 0.50
10 pbh4_h2o pbh4 h2o -1 1 1 0.36 -0.67 -0.46
11 pbh4_hcl pbh4 hcl -1 1 1 0.75 -0.85 -0.21
12 pbh4_hbr pbh4 hbr -1 1 1 0.93 -0.80 0.17
13 pbh4_hi pbh4 hi -1 1 1 1.18 -0.54 1.07
14 pbh4_teh2 pbh4 teh2 -1 1 1 0.65 -0.76 0.33
15 sbh3_2 sbh3 -1 2 1.28 -0.11 1.46
16 sbh3_h2o sbh3 h2o -1 1 1 1.57 -1.14 -0.86
17 sbh3_h2s sbh3 h2s -1 1 1 1.06 -0.87 -0.25
18 sbh3_hcl sbh3 hcl -1 1 1 2.02 -1.31 -0.74
19 sbh3_hbr sbh3 hbr -1 1 1 1.89 -1.27 -0.48
20 sbh3_hi sbh3 hi -1 1 1 1.49 -1.32 -0.19
21 sbh3_nh3 sbh3 nh3 -1 1 1 2.84 0.04 0.47
22 teh2_2 teh2 -1 2 0.52 -0.87 0.16
23 teh2_h2o teh2 h2o -1 1 1 0.68 -0.50 -0.25
24 teh2_h2s teh2 h2s -1 1 1 0.48 -0.70 -0.06
25 teh2_hcl teh2 hcl -1 1 1 1.23 -0.47 0.12
26 teh2_hbr teh2 hbr -1 1 1 1.22 -0.47 0.39
27 teh2_hi teh2 hi -1 1 1 0.80 -0.87 0.06
28 teh2_nh3 teh2 nh3 -1 1 1 3.35 0.13 0.53
MD -0.64 0.25
MAD 0.65 0.52
RMSD 0.74 0.71