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

MP3=FULL/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' 3540 3540   370 A'   3170 in crystal
2 A' 2421 2421   103 A'   2318  
3 A' 1696 1696   149 A'   1547  
4 A' 1169 1169   40 A'   1129  
5 A' 536 536   6 A'   530  
6 A' 363 363   -126 A'   489  
7 A" 3692 3692   412 A"   3280  
8 A" 1343 1343   84 A"   1259  
9 A" 395 395   -23 A"   418  
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.