Get a ring's characteristic vibrations frequencies, for a set of molecules

Get a ring's characteristic vibrations frequencies, for a set of molecules

Usage

ring.vib.df(input = NA)

Arguments

input

a character of 6 atoms, ordered as follows: para (opposite of primary - doesn't matter, but must be consistent), two ortho atoms to primary and two meta atoms to primary. See full manual for a detailed explanation.

Value

A data frame with stretching frequencies