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ISOL24 results

Density functional: M06

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)
1 i1e i1p -1 1 71.01 -3.34 -3.70
2 i2e i2p -1 1 38.50 -5.14 -3.21
3 i3e i3p -1 1 10.69 -2.45 -2.56
4 i4e i4p -1 1 69.03 -11.15 -5.80
5 i5e i5p -1 1 33.08 -2.23 -2.24
6 i6e i6p -1 1 24.41 2.32 1.79
7 i7e i7p -1 1 17.88 -1.80 -0.94
8 i8e i8p -1 1 22.04 5.45 3.55
9 i9e i9p -1 1 21.09 0.03 0.40
10 i10e i10p -1 1 6.49 -2.47 -2.47
11 i11e i11p -1 1 36.90 -0.61 -0.70
12 i12e i12p -1 1 0.42 -0.82 -0.75
13 i13e i13p -1 1 33.02 -1.99 -2.05
14 i14e i14p -1 1 5.32 -1.75 -1.50
15 i15e i15p -1 1 4.14 -20.86 -20.73
16 i16e i16p -1 1 23.00 0.09 -0.15
17 i17e i17p -1 1 9.83 0.62 0.81
18 i18e i18p -1 1 24.14 -6.50 -6.16
19 i19e i19p -1 1 18.04 -2.28 -2.15
20 i20e i20p -1 1 4.97 -1.07 -1.38
21 i21e i21p -1 1 11.90 -7.71 -7.59
22 i22e i22p 1 -1 0.14 6.90 5.32
23 i23e i23p -1 1 24.61 -8.54 -8.31
24 i24e i24p -1 1 15.40 -0.12 0.27
MD -2.73 -2.51
MAD 4.01 3.52
RMSD 6.09 5.51