Knowledge Bank

The force fields and structures of cis and trans $HNO2$ have been calculated with a (7,3) basis of Gaussian lobe functions using the force method of $Pulay.1$ The relative energies and force constants of the stable conformers are compared with experimental values. The fully optimized structures have been calculated for several values of the torsional angle around the N-O bond in order to investigate the changes in the geometrical parameters at intermediate positions during the internal rotation.