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Compare vibrational frequencies in CCCBDB for OPCl (Phosphorus oxychloride)

B3LYP/aug-cc-pVQZ

18 11 26 13 55
Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency Scaled
Frequency
Harm.
diff
Fund.
diff
Symmetry Harmonic
Frequency
Fundamental
Frequency
Comment
1 A' 1284 1244   -19 A'   1263  
2 A' 481 466   158 A'   308  
3 A' 300 290   -202 A'   492  
The calculated vibrational frequencies were scaled by 0.9689

See section Calculated; Vibrations; Scale Factors; Set scaling factors to change the scale factors used here.
See section Calculated; Vibrations; Scale Factors; Calculate a scale factor to determine the least squares best scaling factor.
See section Calculated; Vibrations; Scale Factors; Scale factor uncertainty for information on where the above scaling factor is from.