Binary package “psi4-data” in ubuntu xenial

Quantum Chemical Program Suite (data files)

 PSI4 is an ab-initio quantum chemistry program. It is especially designed to
 accurately compute properties of small to medium molecules using highly
 correlated techniques. PSI4 is the parallelized successor of PSI3 and includes
 many state-of-the-art theoretical methods.
 .
 This package contains data files and the HTML documentation.