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Compare vibrational frequencies in CCCBDB for SiHF3 (trifluorosilane)

B3LYP/CEP-31G

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 2274 2203   -113 A1   2316  
2 A1 718 696   -162 A1   858  
3 A1 341 331   -94 A1   425  
4 E 873 845   -153 E   998  
5 E 748 725   -119 E   844  
6 E 241 234   -72 E   306  
The calculated vibrational frequencies were scaled by 0.9684

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.