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Compare vibrational frequencies in CCCBDB for CH2OH (Hydroxymethyl radical)

CCD/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 3897 3728   78 A   3650  
2 A 3294 3151           
3 A 3151 3015           
4 A 1509 1444   -15 A   1459  
5 A 1402 1341   7 A   1334  
6 A 1239 1185   9 A   1176  
7 A 1077 1030   -18 A   1048  
8 A 708 677   195 A   482  
9 A 446 427   193 A   234  
The calculated vibrational frequencies were scaled by 0.9567

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.