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Compare vibrational frequencies in CCCBDB for HSO3 (Hydroxysulfonyl radical)

BLYP/6-311G*

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 3556 3547   8 A   3540 Ar matrix
2 A 1161 1158   -151 A   1309  
3 A 1057 1054   -242 A   1296  
4 A 970 968   -130 A   1097  
5 A 597 596   -163 A   759  
6 A 462 461   -78 A   538  
7 A 367 366           
8 A 358 357           
9 A 249 248           
The calculated vibrational frequencies were scaled by 0.9975

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.