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Compare vibrational frequencies in CCCBDB for H2COO (Dioxymethyl radical)

MP3=FULL/6-31G

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' 3295 3295           
2 A' 3158 3158           
3 A' 1653 1653   218 A'   1435  
4 A' 1495 1495   209 A'   1286  
5 A' 1268 1268   27 A'   1241  
6 A' 593 593   -315 A'   908  
7 A' 438 438           
8 A" 1111 1111   263 A"   848  
9 A" 643 643           
The calculated vibrational frequencies were scaled by 1

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.