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Compare vibrational frequencies in CCCBDB for HSO3F (Fluorosulfonic acid)

PBEPBE/6-31G

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 3396 3350   -252 A   3602  
2 A 1139 1123   -363 A   1486  
3 A 1002 988   -255 A   1243  
4 A 894 881   -269 A   1150  
5 A 655 646   -250 A   896  
6 A 595 586   -237 A   823  
7 A 338 333   -229 A   562  
8 A 317 312   -239 A   551  
9 A 313 309   -209 A   518  
10 A 264 260   -149 A   409  
11 A 203 200   -190 A   390  
12 A 147 145   -121 A   266  
The calculated vibrational frequencies were scaled by 0.9862

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.