The catalytic cycle and energy profile diagram for the formation of ammonia by employing 6 CN carbene as a catalyst, is depicted in Figure and Figure respectively. 6B CN is converted to 6 CN and two molecules of ammonia through a series of successive reductions to complete the catalytic circle. In this study, H (as hydrogen atom) is added in each step. It is observed that all H addition are barrier-less processes and exergonic.