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Compare vibrational frequencies in CCCBDB for ClONO2 (Chlorine nitrate)

MP2/CEP-121G

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' 1898 1853   116 A'   1737  
2 A' 1161 1133   -160 A'   1293  
3 A' 676 659   -150 A'   809  
4 A' 672 656   -124 A'   780  
5 A' 420 410   -153 A'   563  
6 A' 283 276   -158 A'   434  
7 A' 196 191   -82 A'   273  
8 A" 588 574   -137 A"   711  
9 A" 99 96   -27 A"   124  
The calculated vibrational frequencies were scaled by 0.976

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.