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Compare vibrational frequencies in CCCBDB for HSO3 (Hydroxysulfonyl radical)

LSDA/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 3597 3557   17 A   3540 Ar matrix
2 A 1226 1213   -96 A   1309  
3 A 1039 1027   -269 A   1296  
4 A 1026 1015   -83 A   1097  
5 A 726 718   -41 A   759  
6 A 474 469   -70 A   538  
7 A 378 374           
8 A 373 368           
9 A 233 231           
The calculated vibrational frequencies were scaled by 0.989

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.