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Compare vibrational frequencies in CCCBDB for CH2OH (Hydroxymethyl radical)

MP2=FULL/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 3557 3396   -254 A   3650  
2 A 3320 3170           
3 A 3164 3021           
4 A 1566 1495   36 A   1459  
5 A 1403 1339   5 A   1334  
6 A 1142 1090   -86 A   1176  
7 A 1074 1026   -22 A   1048  
8 A 742 709   227 A   482  
9 A 452 432   198 A   234  
The calculated vibrational frequencies were scaled by 0.9548

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.