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Compare vibrational frequencies in CCCBDB for CH2OH (Hydroxymethyl radical)

CCSD(T)/cc-pVQZ

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 3868 3750   100 A   3650  
2 A 3289 3190           
3 A 3147 3052           
4 A 1494 1449   -10 A   1459  
5 A 1378 1336   2 A   1334  
6 A 1210 1173   -3 A   1176  
7 A 1063 1031   -17 A   1048  
8 A 598 580   98 A   482  
9 A 426 413   179 A   234  
The calculated vibrational frequencies were scaled by 0.9697

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.