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Compare vibrational frequencies in CCCBDB for HSO3F (Fluorosulfonic acid)

LSDA/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 3611 3571   -31 A   3602  
2 A 1418 1403   -83 A   1486  
3 A 1179 1166   -77 A   1243  
4 A 1092 1080   -70 A   1150  
5 A 853 843   -53 A   896  
6 A 781 772   -51 A   823  
7 A 484 479   -83 A   562  
8 A 472 467   -84 A   551  
9 A 450 445   -73 A   518  
10 A 375 371   -38 A   409  
11 A 325 321   -69 A   390  
12 A 248 245   -21 A   266  
The calculated vibrational frequencies were scaled by 0.989

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.