Compare vibrational frequencies in CCCBDB for Cl3- (trichloride anion)
B3PW91/6-31G(2df,p)Frequency in cm-1
|2||Σu||267||-60||Σu||327||mode was 3 in reference|
See section III.B.3.c Calculate a vibrational scaling factor for a set of molecules to determine the least squares best scaling factor.
See section III.B.3.b List of vibrational scaling factors and their uncertainties for information on where the above scaling factor is from.