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Compare vibrational frequencies in CCCBDB for CH2OH (Hydroxymethyl radical)

B1B95/3-21G

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 3556 3402   -248 A   3650  
2 A 3298 3156           
3 A 3140 3004           
4 A 1515 1450   -9 A   1459  
5 A 1371 1312   -22 A   1334  
6 A 1166 1115   -61 A   1176  
7 A 1050 1005   -43 A   1048  
8 A 597 571   89 A   482  
9 A 444 425   191 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.