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

mPW1PW91/6-311G**

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 3336   166 A'   3170 in crystal
2 A' 2453 2347   29 A'   2318  
3 A' 1604 1534   -13 A'   1547  
4 A' 1226 1173   44 A'   1129  
5 A' 540 517   -13 A'   530  
6 A' 203 194   -295 A'   489  
7 A" 3626 3469   189 A"   3280  
8 A" 1264 1209   -50 A"   1259  
9 A" 420 402   -16 A"   418  
The calculated vibrational frequencies were scaled by 0.9567

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.