Formation of a symmetric, aligned model is performed at , or equivalently by the yield_model subroutine in notebook interface, and is stored in scsd_models_user.py. This is the first step in generating a dataset; where axes are interchangeable, models are aligned such that variance var(x) > var(y) > var(z) for D2h, so that near-planar molecules will generally lie in the x-y plane, and var(x) > var(y) for C2v (x-z plane); in this way, interconvertible mode descriptors are generally consistent between measurements. Symmetric models for the compounds in Table have been pre-computed and can be used with the web interface to accelerate computation, and new models can be uploaded and used for individual structure comparison.