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ISOL24 results

Density functional: mPW1LYP

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 5.51 6.01
2 i2e i2p -1 1 38.50 -20.01 -12.48
3 i3e i3p -1 1 10.69 -2.71 -3.00
4 i4e i4p -1 1 69.03 -47.06 -25.64
5 i5e i5p -1 1 33.08 -11.22 -9.63
6 i6e i6p -1 1 24.41 -1.46 -0.72
7 i7e i7p -1 1 17.88 -10.90 -6.90
8 i8e i8p -1 1 22.04 27.72 20.23
9 i9e i9p -1 1 21.09 -2.56 -0.24
10 i10e i10p -1 1 6.49 -4.01 -3.31
11 i11e i11p -1 1 36.90 0.59 1.69
12 i12e i12p -1 1 0.42 0.16 0.22
13 i13e i13p -1 1 33.02 -2.87 -2.21
14 i14e i14p -1 1 5.32 -1.65 -1.08
15 i15e i15p -1 1 4.14 -6.21 -4.86
16 i16e i16p -1 1 23.00 1.44 0.93
17 i17e i17p -1 1 9.83 -11.50 -10.54
18 i18e i18p -1 1 24.14 -10.79 -8.19
19 i19e i19p -1 1 18.04 3.15 2.20
20 i20e i20p -1 1 4.97 -0.51 -1.27
21 i21e i21p -1 1 11.90 -15.46 -13.23
22 i22e i22p 1 -1 0.14 15.33 10.80
23 i23e i23p -1 1 24.61 -11.30 -9.84
24 i24e i24p -1 1 15.40 -1.56 -0.07
MD -4.49 -2.96
MAD 8.99 6.47
RMSD 13.85 9.19