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ISOL24 results

Density functional: B97-2

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 -1.53 -1.03 5.86
2 i2e i2p -1 1 38.50 -14.87 -5.05 -0.10
3 i3e i3p -1 1 10.69 -1.50 -1.86 -1.06
4 i4e i4p -1 1 69.03 -40.59 -12.64 -1.43
5 i5e i5p -1 1 33.08 -4.12 -2.12 2.81
6 i6e i6p -1 1 24.41 2.83 3.70 3.18
7 i7e i7p -1 1 17.88 -8.34 -3.12 -0.71
8 i8e i8p -1 1 22.04 18.12 8.39 7.28
9 i9e i9p -1 1 21.09 -3.80 -0.83 0.55
10 i10e i10p -1 1 6.49 -1.83 -0.95 1.51
11 i11e i11p -1 1 36.90 -0.97 0.42 -0.37
12 i12e i12p -1 1 0.42 -0.30 -0.20 -0.47
13 i13e i13p -1 1 33.02 -1.82 -1.00 0.73
14 i14e i14p -1 1 5.32 -0.89 -0.12 1.84
15 i15e i15p -1 1 4.14 -8.26 -6.54 -3.91
16 i16e i16p -1 1 23.00 0.87 0.18 1.59
17 i17e i17p -1 1 9.83 -3.76 -2.50 -1.51
18 i18e i18p -1 1 24.14 -11.37 -8.08 -7.30
19 i19e i19p -1 1 18.04 -1.58 -2.76 -0.02
20 i20e i20p -1 1 4.97 0.53 -0.47 0.07
21 i21e i21p -1 1 11.90 -9.12 -6.32 -1.97
22 i22e i22p 1 -1 0.14 14.12 8.11 6.38
23 i23e i23p -1 1 24.61 -8.41 -6.55 -4.86
24 i24e i24p -1 1 15.40 -2.41 -0.48 -0.09
MD -3.71 -1.74 0.33
MAD 6.75 3.48 2.32
RMSD 10.98 4.84 3.28