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Compare vibrational frequencies in CCCBDB for NO2 (Nitrogen dioxide)

CCSD(T)/cc-pVTZ

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 2694 2626 1336 1308 A1 1358 1318  
2 A1 2459 2397 1702 1647 A1 757 750  
3 B2 2932 2859 1267 1241 B2 1666 1618  
The calculated vibrational frequencies were scaled by 0.9748

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.