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Compare vibrational frequencies in CCCBDB for HSO3F (Fluorosulfonic 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 3434 3278   -324 A   3602  
2 A 1325 1265   -221 A   1486  
3 A 1146 1094   -149 A   1243  
4 A 1110 1060   -90 A   1150  
5 A 810 773   -123 A   896  
6 A 731 698   -125 A   823  
7 A 441 421   -141 A   562  
8 A 409 391   -160 A   551  
9 A 393 375   -143 A   518  
10 A 316 302   -107 A   409  
11 A 283 270   -120 A   390  
12 A 195 186   -80 A   266  
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.