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Compare vibrational frequencies in CCCBDB for HSO3 (Hydroxysulfonyl radical)

G3

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 3989 3989   450 A   3540 Ar matrix
2 A 1340 1340   31 A   1309  
3 A 1243 1243   -53 A   1296  
4 A 915 915   -182 A   1097  
5 A 756 756   -3 A   759  
6 A 498 498   -41 A   538  
7 A 484 484           
8 A 363 363           
9 A 302 302           
The calculated vibrational frequencies were scaled by 1

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.