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Compare vibrational frequencies in CCCBDB for HClO4 (perchloric acid)

B3LYP/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' 3688 3578   21 A'   3557  
2 A' 1225 1189   -118 A'   1307  
3 A' 1095 1063   -117 A'   1180  
4 A' 916 889   -149 A'   1038  
5 A' 638 619   -92 A'   711  
6 A' 485 470   -99 A'   569  
7 A' 466 452   -96 A'   548  
8 A' 340 330   -75 A'   405  
9 A" 1096 1063   -179 A"   1242  
10 A" 489 474   -102 A"   576  
11 A" 346 336   -72 A"   408  
12 A" 133 129   -62 A"   191  
The calculated vibrational frequencies were scaled by 0.9704

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.