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

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

MP4/3-21G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1' 2918 18 A1' 2900  
2 A1' 1320 163 A1' 1157  
3 A1' 515 12 A1' 503  
4 A1" 28i   A1"   torsion
5 A2" 2917 2 A2" 2915  
6 A2" 1309 126 A2" 1183  
7 A2" 561 -52 A2" 613  
8 E' 2977 11 E' 2966  
9 E' 1469 165 E' 1304  
10 E' 748 44 E' 704  
11 E' 101i -235 E' 134  
12 E" 2977 134 E" 2843  
13 E" 1469 35 E" 1434  
14 E" 631 11 E" 620  
The calculated vibrational frequencies were scaled by 0.9698

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.