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ISOL24 results

Density functional: SCAN

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) D3(BJ)
1 i1e i1p -1 1 71.01 1.96 1.59 2.15
2 i2e i2p -1 1 38.50 -3.45 -1.51 -1.11
3 i3e i3p -1 1 10.69 0.29 0.18 0.25
4 i4e i4p -1 1 69.03 -11.14 -5.78 -4.45
5 i5e i5p -1 1 33.08 0.84 0.83 1.30
6 i6e i6p -1 1 24.41 3.64 3.11 3.37
7 i7e i7p -1 1 17.88 -2.34 -1.48 -1.16
8 i8e i8p -1 1 22.04 16.90 14.98 14.62
9 i9e i9p -1 1 21.09 0.21 0.58 0.72
10 i10e i10p -1 1 6.49 -2.12 -2.12 -1.88
11 i11e i11p -1 1 36.90 -4.72 -4.81 -4.69
12 i12e i12p -1 1 0.42 -0.48 -0.40 -0.43
13 i13e i13p -1 1 33.02 -0.54 -0.60 -0.39
14 i14e i14p -1 1 5.32 0.52 0.77 0.82
15 i15e i15p -1 1 4.14 -3.54 -3.41 -3.21
16 i16e i16p -1 1 23.00 2.81 2.57 2.55
17 i17e i17p -1 1 9.83 -3.31 -3.12 -3.00
18 i18e i18p -1 1 24.14 -10.22 -9.88 -9.64
19 i19e i19p -1 1 18.04 0.91 1.04 1.00
20 i20e i20p -1 1 4.97 -0.98 -1.29 -1.23
21 i21e i21p -1 1 11.90 -5.42 -5.31 -4.94
22 i22e i22p 1 -1 0.14 8.07 6.49 6.55
23 i23e i23p -1 1 24.61 -7.89 -7.65 -7.49
24 i24e i24p -1 1 15.40 -1.12 -0.73 -0.63
MD -0.88 -0.66 -0.46
MAD 3.89 3.34 3.23
RMSD 5.66 4.84 4.68