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Compare vibrational frequencies in CCCBDB for HNO3 (Nitric acid)

G3

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' 4025 4025   475 A'   3550  
2 A' 1979 1979   271 A'   1708  
3 A' 1608 1608   277 A'   1331  
4 A' 1505 1505   180 A'   1325  
5 A' 1138 1138   259 A'   879  
6 A' 783 783   136 A'   647  
7 A' 685 685   106 A'   579  
8 A" 909 909   147 A"   762  
9 A" 550 550   94 A"   456  
The calculated vibrational frequencies were scaled by 1

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.