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HEAVYSB11 results

Density functional: r2SCAN-3c

Reference values and deviations (result - reference) of the respective functional in kcal/mol.

# Systems Stoichiometry Ref. r2SCAN-3c
1 geh3 ge2h6 2 -1 73.82 -4.22
2 snme3 sn2me6 2 -1 61.74 -4.55
3 pbme3 pb2me6 2 -1 52.92 -7.54
4 sh h2s2 2 -1 67.85 6.45
5 seh h2se2 2 -1 58.37 7.06
6 teme te2me2 2 -1 52.91 -2.78
7 pme2 p2me4 2 -1 61.85 -7.06
8 asme2 as2me4 2 -1 52.18 -3.35
9 sbme2 sb2me4 2 -1 43.79 -2.51
10 cl cl2 2 -1 59.65 -5.42
11 br br2 2 -1 53.17 -2.71
MD -2.42
MAD 4.88
RMSD 5.21