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Compare vibrational frequencies in CCCBDB for BrONO (Bromine nitrite)

QCISD/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' 1375 1322   -402 A'   1723  
2 A' 799 768   -68 A'   836  
3 A' 701 674   87 A'   587  
4 A' 384 369   -22 A'   391  
5 A' 213 205           
6 A" 140 134   -16 A"   150  
The calculated vibrational frequencies were scaled by 0.9611

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.