用ＩＮＤＯ系列方法对Ｃ_（６０）自由基负离子进行了几何构型优化，得到Ｄ_（２ｈ）对称性的构型，表明Ｃ_（６０）~－确实发生了Ｊａｈｎ－Ｔｅｌｌｅｒ畸变，导致单键变短，双键变长，形成１５种键，９种不等同碳原子，其额外负电荷主要分布在赤道附近。以此构型为基础，计算了Ｃ_（６０）~－的电子光谱，与实验值吻合，在对光谱进行理论指认的同时讨论了光谱红移的原因。 The geometrical configurations of the C 60 free radical anions were optimized by INDO series method and the D 2h symmetry was obtained, which indicated that the Jahn-Teller distortion happened to C 60 ~ , Double bonds become longer, forming 15 kinds of bonds, 9 kinds are not equal to carbon atoms, the extra negative charges are mainly distributed in the vicinity of the equator. Based on this configuration, the electronic spectra of C_ (60) ~ - were calculated, and the experimental results were in good agreement with each other. The reason of spectral red shift was discussed while the spectrum was theoretically assigned.