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Compare vibrational frequencies in CCCBDB for HSO3F (Fluorosulfonic acid)

PBEPBE/aug-cc-pVDZ

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 3614 3592   -10 A   3602  
2 A 1338 1330   -156 A   1486  
3 A 1125 1118   -125 A   1243  
4 A 1105 1098   -52 A   1150  
5 A 764 760   -136 A   896  
6 A 700 696   -127 A   823  
7 A 460 457   -105 A   562  
8 A 447 444   -107 A   551  
9 A 428 425   -93 A   518  
10 A 360 357   -52 A   409  
11 A 304 302   -88 A   390  
12 A 248 246   -20 A   266  
The calculated vibrational frequencies were scaled by 0.9939

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.