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Compare vibrational frequencies in CCCBDB for HSO3 (Hydroxysulfonyl radical)

ROHF/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 4021 3461   -79 A   3540 Ar matrix
2 A 1294 1113   -196 A   1309  
3 A 1203 1035   -261 A   1296  
4 A 900 775   -322 A   1097  
5 A 746 642   -117 A   759  
6 A 490 422   -117 A   538  
7 A 474 408           
8 A 361 311           
9 A 293 252           
The calculated vibrational frequencies were scaled by 0.8607

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.