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Compare vibrational frequencies in CCCBDB for HClO4 (perchloric acid)

MP2/3-21G

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' 3315 3164   -393 A'   3557  
2 A' 1096 1046   -261 A'   1307  
3 A' 952 909   -271 A'   1180  
4 A' 819 782   -256 A'   1038  
5 A' 523 499   -212 A'   711  
6 A' 406 388   -181 A'   569  
7 A' 354 338   -210 A'   548  
8 A' 248 237   -168 A'   405  
9 A" 960 917   -325 A"   1242  
10 A" 413 394   -182 A"   576  
11 A" 273 261   -147 A"   408  
12 A" 215i 205i   -396 A"   191  
The calculated vibrational frequencies were scaled by 0.9545

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.