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Compare vibrational frequencies in CCCBDB for BrONO2 (Bromine nitrate)

MP2/aug-cc-pVDZ

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' 1920 1841   127 A'   1714  
2 A' 1296 1243   -45 A'   1288  
3 A' 759 728   -78 A'   806  
4 A' 736 706   -44 A'   750  
5 A' 459 440   -124 A'   564  
6 A' 350 336           
7 A' 209 200           
8 A" 701 672   -56 A"   728  
9 A" 114 109           
The calculated vibrational frequencies were scaled by 0.959

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.