In this study, we performed a comprehensive quantum chemical study of the complexation between cyclocarbons and C60 fullerenes. The cyclo[n]carbons with an even number of carbons from n = 18 to 36 (Cn, n = 18, 20, 22, 24, 26, 28, 30, 32, 34, and 36) are considered. We not only examine dimers formed between cyclocarbons and C60 fullerene (C60@Cn), but also consider trimers composed of them in 1:2 and 2:1 manners (C60@2Cn and 2C60@Cn, respectively). The geometric structure, binding strength, and interaction nature of the complexes are explored in detail.