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Compare vibrational frequencies in CCCBDB for HSO3F (Fluorosulfonic acid)

BLYP/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 3530 3502   -100 A   3602  
2 A 1370 1359   -127 A   1486  
3 A 1146 1137   -106 A   1243  
4 A 1128 1119   -31 A   1150  
5 A 785 779   -117 A   896  
6 A 722 716   -107 A   823  
7 A 473 469   -93 A   562  
8 A 456 453   -98 A   551  
9 A 447 443   -75 A   518  
10 A 362 359   -50 A   409  
11 A 312 309   -81 A   390  
12 A 241 239   -27 A   266  
The calculated vibrational frequencies were scaled by 0.9919

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.