We are developing a model for a molecular dynamics simulation and need the
curvilinear internal coordinate force constants for C2F6 and ethanol. We
prefer the force constants which fit the experimental vibrational
frequencies, but accurate ab initio force constants would also suffice.
Your help would be greatly appreciated.
Daniel Danailov and Bill Hase
Dr. Daniel M. Danailov
Texas Tech University
Department of Chemistry and Biochemistry
Lubbock, TX 79409-1061, U.S.A.
E-mail: [log in to unmask]