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Compare vibrational frequencies in CCCBDB for HN3+ (Hydrazoic acid cation)

MP2=FULL/aug-cc-pVDZ

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' 3462 3355           
2 A' 3326 3223   1373 A'   1850  
3 A' 1348 1306           
4 A' 735 712   -138 A'   850  
5 A' 495 480           
6 A" 438 425           
The calculated vibrational frequencies were scaled by 0.9692

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.