Extending the computational modelling of these flexible stannane compounds to the calculation of solution-state properties presents three major challenges. First, due to the propyl linkages and hypercoordinate interactions, each of these compounds has several dozen stable conformations. Determining the 119 Sn NMR chemical shift for a compound requires calculating the chemical shift for each geometrically optimized conformer, multiplying this by the conformer's Boltzmann-weighted fractional contribution at the measurement temperature and then summing these. A second challenge is due to the solution state model. Implementation of a polarizable continuum model (PCM) for the solvent with quasi-ideal-gas statistical mechanics calculations of thermodynamic properties causes significant overestimation of translational and rotational entropies and thus systematic errors in Gibbs energy estimates. Finally, it is not known which DFT functionals most accurately predict energies for these conformers in a PCM calculation.