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Compare vibrational frequencies in CCCBDB for Cl3PO (Phosphoryl chloride)

B97D3/3-21G

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 A1 1133 1113   -209 A1   1322  
2 A1 336 330   -151 A1   481  
3 A1 179 176   -90 A1   266  
4 E 421 414   -176 E   590  
5 E 241 236   -97 E   333  
6 E 129 127   -60 E   187  
The calculated vibrational frequencies were scaled by 0.983

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.