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IV.C.1. (XIII.D.1.)

Compare vibrational frequencies in CCCBDB for AsF5 (Arsenic pentafluoride)

MP2=FULL/6-31G(2df,p)

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1' 757 23 A1' 734  
2 A1' 677 33 A1' 644  
3 A2" 830 43 A2" 787  
4 A2" 403 3 A2" 400  
5 E' 841 30 E' 811  
6 E' 369 -3 E' 372  
7 E' 101 -22 E' 123  
8 E" 391 5 E" 386  
The calculated vibrational frequencies were scaled by 0.9423

See section XIII.C.3 List or set vibrational scaling factors to change the scale factors used here.
See section III.B.3.c Calculate a vibrational scaling factor for a set of molecules to determine the least squares best scaling factor.
See section III.B.3.b List of vibrational scaling factors and their uncertainties for information on where the above scaling factor is from.