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

Compare vibrational frequencies in CCCBDB for ZnCH3 (Zinc monomethyl)


Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 2944        
2 A1 1042 -22 A1 1064  
3 A1 460 15 A1 445  
4 E 3061        
5 E 1333        
6 E 589 274 E 315 Tentative
The calculated vibrational frequencies were scaled by 0.9877

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.