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Compare vibrational frequencies in CCCBDB for FNO3 (Fluorine nitrate)

PBEPBE/STO-3G

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 A' 1685 1539   -220 A'   1759  
2 A' 1301 1188   -113 A'   1301  
3 A' 1253 1145   217 A'   928  
4 A' 767 701   -103 A'   804  
5 A' 568 519   -114 A'   633  
6 A' 390 356   -99 A'   455  
7 A' 206 188   -115 A'   303  
8 A" 472 431   -278 A"   709  
9 A" 155 142   -10 A"   152  
The calculated vibrational frequencies were scaled by 0.9136

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.