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C60ISO results

Density functional: B97-D3

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. D3(0) D3(BJ)
1 1 2 -1 1 37.40 -1.53 -0.67
2 1 3 -1 1 56.87 -3.57 -2.24
3 1 4 -1 1 56.89 -3.22 -1.85
4 1 5 -1 1 69.89 -4.96 -3.60
5 1 6 -1 1 100.48 -15.81 -14.05
6 1 7 -1 1 111.72 -12.18 -10.41
7 1 8 -1 1 142.18 -21.15 -19.27
8 1 9 -1 1 143.96 -16.16 -13.72
9 1 10 -1 1 164.88 -14.27 -11.84
MD -10.32 -8.63
MAD 10.32 8.63
RMSD 12.30 10.68