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Compare vibrational frequencies in CCCBDB for HSO3 (Hydroxysulfonyl radical)

BLYP/6-31+G**

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 3584 3565   25 A   3540 Ar matrix
2 A 1150 1144   -165 A   1309  
3 A 1034 1028   -268 A   1296  
4 A 967 962   -136 A   1097  
5 A 603 600   -160 A   759  
6 A 454 452   -87 A   538  
7 A 361 359           
8 A 356 354           
9 A 258 257           
The calculated vibrational frequencies were scaled by 0.9947

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.