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

PBEPBEultrafine/6-31G(2df,p)

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' 3372 3337   167 A'   3170 in crystal
2 A' 2314 2290   -28 A'   2318  
3 A' 1546 1530   -17 A'   1547  
4 A' 1176 1164   35 A'   1129  
5 A' 520 514   -16 A'   530  
6 A' 317 314   -175 A'   489  
7 A" 3503 3467   187 A"   3280  
8 A" 1221 1209   -50 A"   1259  
9 A" 397 393   -25 A"   418  
The calculated vibrational frequencies were scaled by 0.9897

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.