Knowledge Bank

A classic example of the Renner-Teller effect is the $NH2$ molecule. As the doubly degenerate $\mathrm{<mrow\; data-mjx-texclass="ORD">2</mrow>}\Pi$ state is bent, two states, $\mathrm{<mrow\; data-mjx-texclass="ORD">2</mrow>}B1$ and $\mathrm{<mrow\; data-mjx-texclass="ORD">2</mrow>}A1$ appear. Unlike many molecules, both states have minimums in the bent geometry. The geometries of these states have been determined by ab initio methods which far exceed the accuracy attained by traditional Roothaan Self Consistent Field (SCF) calculations. Potential surfaces as well as many one-electron molecular properties will be presented.