Diamond-like carbon (DLC) coated surface has a super-low friction feature under the specific conditions. Fontaine et al. reported that the super-low friction coefficient is achieved at the interface between a DLC coated surface and the iron surface in high-vacuum environment [This Solid Films, 482, 99, 2005]. They reported that carbon-transfer film on the iron surface is observed when this interface shows the super-low friction. However, the mechanism of the super-low friction is not clear. This study investigates the mechanism by tight-binding quantum chemical molecular dynamics method. We present significant influences of hydrogen molecule to the super-low friction.