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Compare vibrational frequencies in CCCBDB for HClO4 (perchloric acid)

PBEPBE/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' 3550 3530   -27 A'   3557  
2 A' 1195 1188   -119 A'   1307  
3 A' 1081 1075   -105 A'   1180  
4 A' 920 914   -124 A'   1038  
5 A' 629 625   -86 A'   711  
6 A' 474 471   -98 A'   569  
7 A' 452 450   -98 A'   548  
8 A' 331 329   -76 A'   405  
9 A" 1124 1118   -124 A"   1242  
10 A" 476 474   -102 A"   576  
11 A" 337 335   -73 A"   408  
12 A" 133 132   -59 A"   191  
The calculated vibrational frequencies were scaled by 0.9942

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.