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Compare vibrational frequencies in CCCBDB for HClO4 (perchloric acid)

MP2/CEP-121G

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' 3441 3359   -198 A'   3557  
2 A' 987 963   -344 A'   1307  
3 A' 740 722   -458 A'   1180  
4 A' 683 666   -372 A'   1038  
5 A' 438 428   -283 A'   711  
6 A' 337 329   -240 A'   569  
7 A' 289 282   -266 A'   548  
8 A' 219 213   -192 A'   405  
9 A" 718 701   -541 A"   1242  
10 A" 343 335   -241 A"   576  
11 A" 234 228   -180 A"   408  
12 A" 125 122   -69 A"   191  
The calculated vibrational frequencies were scaled by 0.976

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.