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ISOL24 results

Density functional: DSD-BLYP

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 3.50 3.55 4.96
2 i2e i2p -1 1 38.50 -6.92 -3.86 -2.83
3 i3e i3p -1 1 10.69 -1.56 -1.67 -1.52
4 i4e i4p -1 1 69.03 -17.33 -8.55 -6.33
5 i5e i5p -1 1 33.08 -3.00 -2.46 -1.39
6 i6e i6p -1 1 24.41 0.52 0.71 0.45
7 i7e i7p -1 1 17.88 -3.85 -2.24 -1.75
8 i8e i8p -1 1 22.04 13.02 10.04 9.33
9 i9e i9p -1 1 21.09 -0.48 0.41 0.69
10 i10e i10p -1 1 6.49 -0.98 -0.74 -0.22
11 i11e i11p -1 1 36.90 -1.48 -1.08 -1.35
12 i12e i12p -1 1 0.42 0.21 0.26 0.17
13 i13e i13p -1 1 33.02 0.12 0.35 0.71
14 i14e i14p -1 1 5.32 -0.69 -0.44 -0.02
15 i15e i15p -1 1 4.14 -4.49 -4.00 -3.52
16 i16e i16p -1 1 23.00 1.27 1.04 1.17
17 i17e i17p -1 1 9.83 -4.12 -3.73 -3.57
18 i18e i18p -1 1 24.14 -3.25 -2.29 -2.04
19 i19e i19p -1 1 18.04 0.88 0.56 1.11
20 i20e i20p -1 1 4.97 0.03 -0.28 -0.21
21 i21e i21p -1 1 11.90 -6.66 -5.87 -4.98
22 i22e i22p 1 -1 0.14 7.76 5.81 5.45
23 i23e i23p -1 1 24.61 -4.16 -3.63 -3.25
24 i24e i24p -1 1 15.40 -0.77 -0.16 -0.06
MD -1.35 -0.76 -0.37
MAD 3.63 2.66 2.38
RMSD 5.53 3.74 3.34