Zero-field-splitting in the lowest triplet state of C-60

Zero-held-splitting parameters D and E for the fullerene C-60 in its Jahn-Teller distorted triplet state were calculated and compared to recent experimental results. The E value vanishes due to symmetry, while we obtained a non-zero D value of D = 0.009 cm(-1) in the D-5d distorted lowest tripler state. The absolute value of D is in good agreement with experimental data, which suggests that the sign of D is negative.