Orientation of the , , and principal inertial axes of (in black); the two fluorine atoms lie above and below the plane. The , , and principal axes (in red) of the nitrogen hyperfine coupling tensor are also depicted; the axis is parallel with the axis.
Equilibrium geometry of as obtained at the level by different basis sets.
Harmonic and anharmonic vibrational frequencies of at various levels of theory. Comparison to experiment.
Isotropic hyperfine coupling constants (Gauss) of . Comparison between calculated and experimental values.
Anisotropic hyperfine coupling constants (Gauss) in the principal system of axesa of as obtained at the level by different basis sets.
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