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Compare vibrational frequencies in CCCBDB for NF3 (Nitrogen trifluoride)

CID/6-31G*

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 707 653   -379 A1   1032  
2 A1 1158 1069   422 A1   647  
3 E 534 494   -413 E   907  
4 E 1105 1021   529 E   492  
The calculated vibrational frequencies were scaled by 0.9237

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.