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Compare vibrational frequencies in CCCBDB for ClONO2 (Chlorine nitrate)

B3PW91/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' 1740 1540   -197 A'   1737  
2 A' 1282 1135   -158 A'   1293  
3 A' 888 786   -24 A'   809  
4 A' 838 741   -39 A'   780  
5 A' 554 490   -73 A'   563  
6 A' 394 348   -86 A'   434  
7 A' 215 190   -83 A'   273  
8 A" 531 470   -241 A"   711  
9 A" 102 91   -33 A"   124  
The calculated vibrational frequencies were scaled by 0.885

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.