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Compare vibrational frequencies in CCCBDB for ONONO (Nitrosyl nitrite)

CID/3-21G*

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 A1 1575 1466   -274 A1   1740  
2 A1 1024 952   -21 A1   974  
3 A1 472 439   44 A1   395  
4 A1 242 225           
5 A2 190 176   -34 A2   210  
6 B1 120 112   -28 B1   140  
7 B2 1507 1402   -295 B2   1697  
8 B2 729 678   -26 B2   705  
9 B2 666 620   240 B2   380  
The calculated vibrational frequencies were scaled by 0.9305

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.