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Compare vibrational frequencies in CCCBDB for ClONO2 (Chlorine nitrate)

MP2/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' 2120 1849   112 A'   1737  
2 A' 1244 1084   -208 A'   1293  
3 A' 889 775   -35 A'   809  
4 A' 763 665   -115 A'   780  
5 A' 550 480   -83 A'   563  
6 A' 387 338   -96 A'   434  
7 A' 243 212   -62 A'   273  
8 A" 529 461   -250 A"   711  
9 A" 84 73   -51 A"   124  
The calculated vibrational frequencies were scaled by 0.8719

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.