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Compare vibrational frequencies in CCCBDB for HClO4 (perchloric acid)

B3PW91/STO-3G

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' 3650 3231   -326 A'   3557  
2 A' 987 873   -434 A'   1307  
3 A' 688 609   -571 A'   1180  
4 A' 610 540   -498 A'   1038  
5 A' 438 388   -323 A'   711  
6 A' 201 178   -391 A'   569  
7 A' 192 170   -378 A'   548  
8 A' 151 134   -271 A'   405  
9 A" 688 609   -633 A"   1242  
10 A" 203 179   -397 A"   576  
11 A" 153 135   -273 A"   408  
12 A" 73i 65i   -256 A"   191  
The calculated vibrational frequencies were scaled by 0.885

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.