While the SOF4 molecular structure with oxygen in the equato

While the SOF4 molecular structure with oxygen in the equatorial position is more energetically stable than the structure with oxygen in the axial position--and thus is the geometry that is actually observed for the compound--Spartan was still able to run calculations and report bond distances, angles, dipole moments, and energy values on the higher energy axial oxygen structure. Why was Spartan able to run these calculations to find properties of a non-existent structure rather than changing the molecule to adopt the correct structure with the axial oxygen? What does this imply in terms of the starting structure you build for Spartan to run calculations on? *Note: Spartan is software that creates molecule visualizations

Solution

this is non existing molecule. if you are giving some input then software will provide the output corresponding to your input. it is up to you that the molecule you designed is either existin or non existing. softwares made on density functional theory based. if software is getting all the parameter the it will calculate your problem whetther it is existing or non existing.