In pyramidal ammonia, the hydrogen symmetry orbitals span of the C3v molecular point group. Nitrogen and both have symmetry and span . In the planar D3h molecular point group, these become , and , respectively, while the hydrogen combinations span . Thus the planar out-of-plane lone pair is a symmetry-isolated nonbonding orbital; pyramidalization permits mixing with the other functions.[ref]
Chloroform has the C3v molecular point group. Its three identical atoms are interchanged by three proper rotations, so . The three mirror operations do not increase the rotational symmetry number to six. Isotopic identity matters for this count.
Using the supplied wavenumber form of ,
All are far below , justifying the high-temperature nonlinear rigid rotor expression. Then
and
The calculation treats the molecule as rigid and separates electronic, vibrational and nuclear-spin contributions from the requested rotational term.