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Compare vibrational frequencies in CCCBDB for CH2OH (Hydroxymethyl radical)

B3PW91/3-21G

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 3554 3416   -234 A   3650  
2 A 3288 3161           
3 A 3132 3010           
4 A 1512 1453   -6 A   1459  
5 A 1375 1321   -13 A   1334  
6 A 1157 1112   -64 A   1176  
7 A 1049 1009   -39 A   1048  
8 A 579 557   75 A   482  
9 A 424 407   173 A   234  
The calculated vibrational frequencies were scaled by 0.9612

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.