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

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

MP2/3-21G*

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 2978 78 A1' 2900  
2 A1 2917 1760 A1' 1157  
3 A1 1469 966 A1' 503  
4 A1 1300   A1"   torsion
5 A1 742 -2173 A2" 2915  
6 A1 526 -657 A2" 1183  
7 A1 123 -490 A2" 613  
8 A2 2996 30 E' 2966  
9 A2 1459 -1507 E' 2966  
10 A2 597 -707 E' 1304  
11 A2 35 -1269 E' 1304  
12 B1 2995 2291 E' 704  
13 B1 1461 757 E' 704  
14 B1 717 583 E' 134  
15 B1 49 -85 E' 134  
16 B2 2978 135 E" 2843  
17 B2 2916 73 E" 2843  
18 B2 1463 29 E" 1434  
19 B2 1286 -148 E" 1434  
20 B2 631 11 E" 620  
21 B2 569 -51 E" 620  
The calculated vibrational frequencies were scaled by 0.9513

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.