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Compare vibrational frequencies in CCCBDB for HSO3 (Hydroxysulfonyl radical)

HF/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 4048 3686   147 A   3540 Ar matrix
2 A 1290 1174   -135 A   1309  
3 A 1191 1084   -212 A   1296  
4 A 898 818   -280 A   1097  
5 A 746 680   -80 A   759  
6 A 483 440   -99 A   538  
7 A 455 414           
8 A 351 319           
9 A 251 229           
The calculated vibrational frequencies were scaled by 0.9106

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.