Vibrational frequency scaling factors
Calculated vibrational frequencies ("theory" in table) are calculated at HF_cp_opt/aug-cc-pVTZ
|Scale factor||How many||Source|
|0.910 ± 0.024||311||3537||from HF unc.|
How do we calculate the scaling factor?
Histogram of vibrational frequency ratios
Ratios greater than 1.35 are in the 1.35 bin. Ratios less than 0.7 are in the 0.7 bin.
|Ratio of experimental frequency to calculated frequency|