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Compare vibrational frequencies in CCCBDB for CH2OH (Hydroxymethyl radical)

BLYP/6-31+G**

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 3683 3663   13 A   3650  
2 A 3207 3190           
3 A 3059 3043           
4 A 1443 1436   -23 A   1459  
5 A 1311 1305   -29 A   1334  
6 A 1143 1137   -39 A   1176  
7 A 1020 1015   -33 A   1048  
8 A 566 563   81 A   482  
9 A 428 425   191 A   234  
The calculated vibrational frequencies were scaled by 0.9947

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.