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Compare vibrational frequencies in CCCBDB for CH2OH (Hydroxymethyl radical)

B3LYP/cc-pVDZ

17 05 22 16 49
Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3674 24 A 3650  
2 A 3152        
3 A 3009        
4 A 1420 -39 A 1459  
5 A 1322 -12 A 1334  
6 A 1182 6 A 1176  
7 A 1018 -30 A 1048  
8 A 593 111 A 482  
9 A 434 200 A 234  
The calculated vibrational frequencies were scaled by 0.97

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.