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

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

HF/3-21G*

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 2902 2 A1' 2900  
2 A1 2856 1699 A1' 1157  
3 A1 1465 962 A1' 503  
4 A1 1276   A1"   torsion
5 A1 709 -2206 A2" 2915  
6 A1 485 -698 A2" 1183  
7 A1 72 -541 A2" 613  
8 A2 2910 -56 E' 2966  
9 A2 1461 -1505 E' 2966  
10 A2 598 -706 E' 1304  
11 A2 24 -1280 E' 1304  
12 B1 2910 2206 E' 704  
13 B1 1462 758 E' 704  
14 B1 694 560 E' 134  
15 B1 28 -106 E' 134  
16 B2 2902 59 E" 2843  
17 B2 2854 11 E" 2843  
18 B2 1462 28 E" 1434  
19 B2 1267 -167 E" 1434  
20 B2 616 -4 E" 620  
21 B2 540 -80 E" 620  
The calculated vibrational frequencies were scaled by 0.9026

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.