Ab initio UHF calculations. Part 2.—The NH2 radical

Calculations, for NH2 using a minimal basis set of SCF atomic orbital, expressed as a linear combination of gaussian orbitals, are optimized by determining the theoretical bond angle (105°) and hydrogen atom orbitals exponent (1.35). After this partial optimization the calculated hyperfine coupling constants are : aH=–22.33; aN= 8.46 G, in excellent agreement with experiment.