Aromatic and heteroaromatic amines (ArNH2) can lead to mutations in DNA and subsequently result in a variety of toxic effects including cancer. ArNH2 can be metabolically activated and able to change the genetic code in DNA [1].Furthermore, in recent years, DNA has received considerable attention because its application in biotechnology, microelectronic devices, DNA-based computation, medicine and the pharmaceutical industry[2]. Therefore, it would be of interest to analyze the stability and quantum chemical aspects of complexes of aniline, C6H5NH2, with DNA base pairs. The Guanine Cytosine (GC) base pair is one of the substantial elements of DNA that its malfunction can lead to dangerous diseases in organic systems .In this work we report some important properties of 1:1 complexes of C6H5NH2-GC system.
