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Compare vibrational frequencies in CCCBDB for CH2OH (Hydroxymethyl radical)

HF/6-31G

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 4050 3657   7 A   3650  
2 A 3466 3129           
3 A 3305 2984           
4 A 1608 1452   -7 A   1459  
5 A 1436 1296   -38 A   1334  
6 A 1215 1097   -79 A   1176  
7 A 1124 1015   -33 A   1048  
8 A 701 633   151 A   482  
9 A 381 344   110 A   234  
The calculated vibrational frequencies were scaled by 0.9029

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.