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Compare vibrational frequencies in CCCBDB for HClO4 (perchloric acid)

LSDA/cc-pVTZ

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' 3617 3577   20 A'   3557  
2 A' 1310 1296   -11 A'   1307  
3 A' 1153 1141   -39 A'   1180  
4 A' 1028 1017   -21 A'   1038  
5 A' 705 697   -14 A'   711  
6 A' 537 531   -38 A'   569  
7 A' 523 518   -30 A'   548  
8 A' 385 381   -24 A'   405  
9 A" 1252 1238   -4 A"   1242  
10 A" 543 537   -39 A"   576  
11 A" 396 392   -16 A"   408  
12 A" 154 152   -39 A"   191  
The calculated vibrational frequencies were scaled by 0.9891

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.