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Compare vibrational frequencies in CCCBDB for FNO3 (Fluorine nitrate)

BLYP/6-31G

17 05 22 16 49
Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 1594 -165 A' 1759  
2 A' 1182 -119 A' 1301  
3 A' 882 -46 A' 928  
4 A' 714 -90 A' 804  
5 A' 527 -106 A' 633  
6 A' 363 -92 A' 455  
7 A' 211 -92 A' 303  
8 A" 573 -136 A" 709  
9 A" 138 -14 A" 152  
The calculated vibrational frequencies were scaled by 0.9924

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.