Tricyclo[2.2.0.01,3]hexane: a new hypothetical molecule which should have only one inverted carbon atom

HF and MP2 calculations with the 6-31G** and 6-311G** basis sets and those at MP2/cc-pVTZ level were carried out for the hypothetical tricyclo[2.2.0.01,3]hexane. The results indicate that the molecule under study should have one carbon atom with highly unusual inverted configuration. The analysis of the vibrational frequencies of this molecule as well as the analysis of its plausible decomposition routes performed at the DFT level indicate that this unique molecule could be a plausible synthetic target.