Both STO-3G ab initio and s-p separation-type-modified INDO serniempirical methods were applied to molecular-orbital calculation of the N zo molecule. From these two methods, the optimized bond distances between the nearest N atoms (d on ) and the most calculated thermodynamic data are close to each other. The positive values of AH. o and AG. o for the atomization reaction in this work prove that N z (} is stable. In contrast to conventional INDO and MINDO/3, but similar to former AMI and MNDO calculations, both AHt and AGt are positive in the formation reaction, which indicates that N zo belongs to the category of high-energy molecules.

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