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Compare vibrational frequencies in CCCBDB for ClONO2 (Chlorine nitrate)

mPW1PW91/6-31G

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' 1710 1619   -118 A'   1737  
2 A' 1279 1211   -82 A'   1293  
3 A' 785 743   -66 A'   809  
4 A' 773 731   -49 A'   780  
5 A' 564 534   -29 A'   563  
6 A' 425 403   -31 A'   434  
7 A' 225 213   -61 A'   273  
8 A" 685 649   -62 A"   711  
9 A" 119 112   -12 A"   124  
The calculated vibrational frequencies were scaled by 0.9466

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.