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Compare vibrational frequencies in CCCBDB for TiF4 (Titanium tetrafluoride)

MP4/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 A1 564 546   -166 A1   712  
2 E 171 165   -20 E   185  
3 T2 753 728   -72 T2   800  
4 T2 182 176   -33 T2   209  
The calculated vibrational frequencies were scaled by 0.9669

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.