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Compare vibrational frequencies in CCCBDB for ClONO (chlorine nitrite)

PBE1PBE/STO-3G

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' 1718 1516   -199 A'   1715  
2 A' 888 783   -75 A'   858  
3 A' 854 754   110 A'   644  
4 A' 697 615   209 A'   406  
5 A' 242 213   -57 A'   270  
6 A" 367 324           
The calculated vibrational frequencies were scaled by 0.8821

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.