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

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

CISD/3-21G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1' 2899 -1 A1' 2900  
2 A1' 1300 143 A1' 1157  
3 A1' 502 -1 A1' 503  
4 A1" 25   A1"   torsion
5 A2" 2896 -19 A2" 2915  
6 A2" 1290 107 A2" 1183  
7 A2" 551 -62 A2" 613  
8 E' 2952 -14 E' 2966  
9 E' 1457 153 E' 1304  
10 E' 728 24 E' 704  
11 E' 83i -217 E' 134  
12 E" 2952 109 E" 2843  
13 E" 1456 22 E" 1434  
14 E" 620 0 E" 620  
The calculated vibrational frequencies were scaled by 0.939

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.