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Compare vibrational frequencies in CCCBDB for SiH3Br (bromosilane)

MP4=FULL/3-21G

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 A1 2185 2139   -61 A1   2200  
2 A1 930 910   -20 A1   930  
3 A1 356 348   -82 A1   430  
4 E 2204 2157   -39 E   2196  
5 E 917 898   -52 E   950  
6 E 613 600   -33 E   633  
The calculated vibrational frequencies were scaled by 0.9788

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.