The uploaded file contains the raw electronic structure calculation input data as well as the dataset used for the training, validation and testing steps of the data mining approach for determination of Hindered Internal Rotation parameters in the paper entitiled "Identification of hindered internal rotational mode for complex chemical species: A data mining approach with multivariate logistic regression model", published in Chemometrics and Intelligent Laboratory Systems.
The details of the subfolders and files are given in the Readme.txt file located in the outermost folder.