Table 4. DFT-Predicted Relative Energies of Selected C₆₀(R_F)₄ Isomers (R_F = CF₃, C₂F₅, and i-C₃F₇).

IUPAC locants and addition-pattern prefixes	CF3	C2F5	i-C3F7	exp. obsd examples (see Table 1)
1,7,11,24; Cs-p3	0.0	0.0	31.2	60-4-3-CF3
1,6,11,18; C1-pmp	8.1	12.8	71.0	60-4-1-CF3
1,7,16,36; C1-p,p	10.1	8.5	1.5	60-4-2-CF3, 60-40-2-i-C3F7
1,7,28,31; C2-p,p	11.2	7.3	0.0	60-4-4-i-C3F7