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Compare vibrational frequencies in CCCBDB for CH2OH (Hydroxymethyl radical)

B3LYP/cc-pVDZ

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 3787 3674   24 A   3650  
2 A 3250 3152           
3 A 3102 3009           
4 A 1464 1420   -39 A   1459  
5 A 1363 1322   -12 A   1334  
6 A 1219 1182   6 A   1176  
7 A 1049 1018   -30 A   1048  
8 A 611 593   111 A   482  
9 A 447 434   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.