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ISOL24 results

Density functional: APFD

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. APFD
1 i1e i1p -1 1 71.01 -2.46
2 i2e i2p -1 1 38.50 1.41
3 i3e i3p -1 1 10.69 -1.30
4 i4e i4p -1 1 69.03 0.12
5 i5e i5p -1 1 33.08 3.45
6 i6e i6p -1 1 24.41 5.80
7 i7e i7p -1 1 17.88 -0.00
8 i8e i8p -1 1 22.04 1.57
9 i9e i9p -1 1 21.09 -0.95
10 i10e i10p -1 1 6.49 -0.23
11 i11e i11p -1 1 36.90 -1.81
12 i12e i12p -1 1 0.42 -0.32
13 i13e i13p -1 1 33.02 -1.25
14 i14e i14p -1 1 5.32 0.70
15 i15e i15p -1 1 4.14 -2.63
16 i16e i16p -1 1 23.00 0.82
17 i17e i17p -1 1 9.83 1.16
18 i18e i18p -1 1 24.14 -7.57
19 i19e i19p -1 1 18.04 -3.58
20 i20e i20p -1 1 4.97 -0.45
21 i21e i21p -1 1 11.90 -3.29
22 i22e i22p 1 -1 0.14 1.97
23 i23e i23p -1 1 24.61 -4.15
24 i24e i24p -1 1 15.40 -0.40
MD -0.56
MAD 1.97
RMSD 2.70