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Compare vibrational frequencies in CCCBDB for HSO3F (Fluorosulfonic acid)

MP2/SDD

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 3538 3415   -187 A   3602  
2 A 1219 1177   -309 A   1486  
3 A 1148 1108   -135 A   1243  
4 A 1032 996   -154 A   1150  
5 A 612 591   -305 A   896  
6 A 517 499   -324 A   823  
7 A 395 381   -181 A   562  
8 A 365 352   -199 A   551  
9 A 332 320   -198 A   518  
10 A 261 252   -157 A   409  
11 A 240 231   -159 A   390  
12 A 48 46   -220 A   266  
The calculated vibrational frequencies were scaled by 0.9653

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.