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Compare vibrational frequencies in CCCBDB for HNO3 (Nitric acid)

LSDA/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' 3560 3188   -362 A'   3550  
2 A' 1752 1568   -140 A'   1708  
3 A' 1321 1183   -148 A'   1331  
4 A' 1253 1122   -203 A'   1325  
5 A' 911 816   -63 A'   879  
6 A' 525 470   -177 A'   647  
7 A' 385 344   -235 A'   579  
8 A" 585 524   -238 A"   762  
9 A" 542 485   29 A"   456  
The calculated vibrational frequencies were scaled by 0.8955

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.