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Compare vibrational frequencies in CCCBDB for NH2NN+ (hydrazoic acid, protonated)

B1B95/6-31G**

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' 3487 3329   159 A'   3170 in crystal
2 A' 2466 2355   37 A'   2318  
3 A' 1619 1546   -1 A'   1547  
4 A' 1227 1171   42 A'   1129  
5 A' 541 517   -13 A'   530  
6 A' 302 288   -201 A'   489  
7 A" 3621 3457   177 A"   3280  
8 A" 1279 1221   -38 A"   1259  
9 A" 415 396   -22 A"   418  
The calculated vibrational frequencies were scaled by 0.9548

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.