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Compare vibrational frequencies in CCCBDB for PF5 (Phosphorus pentafluoride)

PM3

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' 752 733   -83 A1'   816  
2 A1' 562 547   -101 A1'   648  
3 A2" 860 837   -110 A2"   947  
4 A2" 409 399   -176 A2"   575  
5 E' 867 844   -180 E'   1024  
6 E' 397 387   -146 E'   533  
7 E' 170 166   -8 E'   174  
8 E" 374 364   -156 E"   520  
The calculated vibrational frequencies were scaled by 0.974

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.