The molecular structure of methyl(difluoro)silyl chloride as determined by broadband microwave spectroscopy

The ab initio structure was calculated using the MP2/aug-cc-pVTZ level of theory and a potential energy surface was calculated for the methyl rotor using the MP2/6-311++g(d,p) level of theory. These calculations predict a torsional barrier of 435.835 cm−1, in agreement with the experimental barrier height of 468(3) cm−1.