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Compare vibrational frequencies in CCCBDB for AsF5 (Arsenic pentafluoride)

MP2/CEP-121G

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' 587 573   -161 A1'   734  
2 A1' 581 567   -77 A1'   644  
3 A2" 687 670   -117 A2"   787  
4 A2" 338 330   -70 A2"   400  
5 E' 690 673   -138 E'   811  
6 E' 306 299   -73 E'   372  
7 E' 107 105   -18 E'   123  
8 E" 317 310   -76 E"   386  
The calculated vibrational frequencies were scaled by 0.976

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.