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

Compare vibrational frequencies in CCCBDB for Zn(CH3)2 (dimethyl zinc)

mPW1PW91/6-31G(2df,p)

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1' 2911 11 A1' 2900  
2 A1' 1182 25 A1' 1157  
3 A1' 526 23 A1' 503  
4 A1" 30   A1"   torsion
5 A2" 2909 -6 A2" 2915  
6 A2" 1181 -2 A2" 1183  
7 A2" 603 -10 A2" 613  
8 E' 2989 23 E' 2966  
9 E' 1392 88 E' 1304  
10 E' 688 -16 E' 704  
11 E' 100 -34 E' 134  
12 E" 2989 146 E" 2843  
13 E" 1386 -48 E" 1434  
14 E" 587 -33 E" 620  
The calculated vibrational frequencies were scaled by 0.9547

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.