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Compare vibrational frequencies in CCCBDB for C2H3 (vinyl)

G3

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' 3430 3430   289 A'   3141  
2 A' 3373 3373   420 A'   2953  
3 A' 3278 3278   367 A'   2912  
4 A' 1634 1634           
5 A' 1406 1406   46 A'   1360  
6 A' 1196 1196           
7 A' 829 829   155 A'   674  
8 A" 958 958   63 A"   895  
9 A" 885 885   28 A"   857  
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.