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Compare vibrational frequencies in CCCBDB for Cl3PO (Phosphoryl chloride)

BLYP/6-31G

17 05 22 16 49
Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 1010 -312 A1 1322  
2 A1 336 -145 A1 481  
3 A1 182 -84 A1 266  
4 E 423 -167 E 590  
5 E 229 -104 E 333  
6 E 125 -62 E 187  
The calculated vibrational frequencies were scaled by 0.9924

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.