Vibrational frequencies and structural determinations of tetraisocyanatogermane

The normal mode frequencies and corresponding vibrational assignments of Ge(NCO)₄ are examined theoretically using the 98 set of quantum chemistry codes. Each of the vibrational modes was assigned to one of six types of motion predicted by a group theoretical analysis (Ge–N stretch, N–C–O symmetric stretch, N–C–O asymmetric stretch, N–C–O bend, Ge–N–C bend, and N–Ge–N bend) utilizing the T_d symmetry of the molecule. Uniform scaling factors were derived for each type of motion. Predicted infrared and Raman intensities are reported.