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C60ISO results

Density functional: SCAN

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 1 2 -1 1 37.40 0.28 0.35 0.39
2 1 3 -1 1 56.87 -0.89 -0.79 -0.73
3 1 4 -1 1 56.89 -0.62 -0.50 -0.44
4 1 5 -1 1 69.89 -1.59 -1.51 -1.45
5 1 6 -1 1 100.48 -11.55 -11.46 -11.41
6 1 7 -1 1 111.72 -7.22 -7.16 -7.12
7 1 8 -1 1 142.18 -15.53 -15.45 -15.43
8 1 9 -1 1 143.96 -10.24 -10.15 -10.08
9 1 10 -1 1 164.88 -7.12 -7.06 -7.06
MD -6.05 -5.97 -5.93
MAD 6.12 6.05 6.01
RMSD 8.07 8.01 7.98