ELECTRIC-DIPOLE MOMENT DERIVATIVES FOR GERMANE COMPUTED BY DENSITY-FUNCTIONAL METHOD

The first derivatives of the electric dipole moments along the symmetry coordinates have been computed for D3GeH and DGeH3 by means of the deMon density functional program [St-Amant A & Salahub D R, Chem phys Lett, 169 (1990) 387] and transformed into those for GeH4, GeD4, and H2GeD2 using relations between the symmetry coordinates for T-d C-3 nu and C-2 nu molecules. Dipole moment derivatives along the normal coordinates of vibration have been calculated using the force field for GeH4 and compared with the available experimental data.