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Compare vibrational frequencies in CCCBDB for ONNO (NO dimer)

mPW1PW91/6-311G**

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 413 395   -1473 A1   1868  
2 A1 322 308   69 A1   239  
3 A2 249 239   104 A1   135  
4 B2 1829 1750   1633 A2   117  
5 B2 750 717   -1072 B2   1789  
6 A1 2010 1923   1493 B2   429  
The calculated vibrational frequencies were scaled by 0.9567

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.