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Compare vibrational frequencies in CCCBDB for HSO3 (Hydroxysulfonyl radical)

PBEPBE/6-31G(2df,p)

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 3643 3606   66 A   3540 Ar matrix
2 A 1267 1254   -55 A   1309  
3 A 1076 1064   -232 A   1296  
4 A 1050 1039   -58 A   1097  
5 A 702 695   -64 A   759  
6 A 494 489   -49 A   538  
7 A 394 390           
8 A 393 389           
9 A 259 256           
The calculated vibrational frequencies were scaled by 0.9897

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.