Nitrogen is an important impurity in Czochralski grown silicon (Cz–Si) as it enhances oxygen precipitation through the formation of vacancy–nitrogen–oxygen clusters and in particular the V[Formula: see text]N2O[Formula: see text] complexes. Here, we employ density functional theory (DFT) to predict the structure of V[Formula: see text]N2O[Formula: see text] ([Formula: see text], 2). We report that the lowest energy V[Formula: see text]N2O[Formula: see text] ([Formula: see text], 2) defects are very strongly bound. These results are consistent, and support the previously reported theoretical and experimental conclusions that V[Formula: see text]N2O[Formula: see text] structures could form.