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Compare vibrational frequencies in CCCBDB for ONNO (NO dimer)

TPSSh/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 1925 1864   -4 A1   1868  
2 A1 415 402   163 A1   239  
3 A1 300 291   156 A1   135  
4 A2 245 238   121 A2   117  
5 B2 1751 1696   -93 B2   1789  
6 B2 710 688   259 B2   429  
The calculated vibrational frequencies were scaled by 0.9683

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.