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ISOL24 results

Density functional: PW1PW

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 0.72 0.72
2 i2e i2p -1 1 38.50 -5.79 -0.32
3 i3e i3p -1 1 10.69 0.74 0.54
4 i4e i4p -1 1 69.03 -19.77 -4.02
5 i5e i5p -1 1 33.08 2.19 3.08
6 i6e i6p -1 1 24.41 6.42 6.64
7 i7e i7p -1 1 17.88 -3.68 -0.82
8 i8e i8p -1 1 22.04 11.61 6.30
9 i9e i9p -1 1 21.09 -2.17 -0.58
10 i10e i10p -1 1 6.49 -0.76 -0.35
11 i11e i11p -1 1 36.90 -1.38 -0.74
12 i12e i12p -1 1 0.42 -0.36 -0.25
13 i13e i13p -1 1 33.02 -1.67 -1.29
14 i14e i14p -1 1 5.32 0.37 0.84
15 i15e i15p -1 1 4.14 -3.36 -2.53
16 i16e i16p -1 1 23.00 2.86 2.45
17 i17e i17p -1 1 9.83 -0.29 0.40
18 i18e i18p -1 1 24.14 -10.28 -8.63
19 i19e i19p -1 1 18.04 -1.68 -2.19
20 i20e i20p -1 1 4.97 0.41 -0.17
21 i21e i21p -1 1 11.90 -4.31 -2.97
22 i22e i22p 1 -1 0.14 8.56 5.02
23 i23e i23p -1 1 24.61 -4.97 -4.05
24 i24e i24p -1 1 15.40 -1.39 -0.29
MD -1.16 -0.13
MAD 3.99 2.30
RMSD 6.04 3.27