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Compare vibrational frequencies in CCCBDB for BrONO (Bromine nitrite)

MP2/CEP-121G

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' 1475 1439   -284 A'   1723  
2 A' 666 650   -186 A'   836  
3 A' 521 509   -78 A'   587  
4 A' 275 269   -123 A'   391  
5 A' 168 164           
6 A" 139 136   -14 A"   150  
The calculated vibrational frequencies were scaled by 0.976

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.