Vibrational frequencies and structural determination of methylthiogermane

The vibrational frequencies and the corresponding normal mode assignments of methylthiogermane (CH3SGeH3) are examined theoretically using the gaussian98 set of quantum chemistry codes. All normal modes were successfully assigned to one of the 11 types of motion predicted by a group theoretical analysis (C-H stretch, Ge-H stretch, C-S stretch, Ge-S stretch, H-C-H bend, H-Ge-H bend, Ge-S-C bend, CH3 rock, CH3 twist, GeH3 rock, and GeH3 twist). Theoretical infrared and Raman intensities are reported.