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Compare vibrational frequencies in CCCBDB for HOCO (Hydrocarboxyl radical)

CID/Def2TZVPP

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' 3863 3863   547 A'   3316  
2 A' 1993 1993   196 A'   1797  
3 A' 1365 1365   104 A'   1261  
4 A' 1161 1161   73 A'   1088  
5 A' 639 639   19 A'   620  
6 A" 600 600           
The calculated vibrational frequencies were scaled by 1

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.