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Compare vibrational frequencies in CCCBDB for SiHF3 (trifluorosilane)

CISD/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 2528 2362   46 A1   2316  
2 A1 942 880   22 A1   858  
3 A1 446 416   -9 A1   425  
4 E 1142 1067   69 E   998  
5 E 934 873   29 E   844  
6 E 328 306   -538 E   844  
5 E 934 873   567 E   306  
6 E 328 306   0 E   306  
The calculated vibrational frequencies were scaled by 0.9344

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.