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

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

CCD/3-21G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 2990 90 A1' 2900  
2 A1 2932 1775 A1' 1157  
3 A1 1486 983 A1' 503  
4 A1 1319   A1"   torsion
5 A1 748 -2167 A2" 2915  
6 A1 525 -658 A2" 1183  
7 A1 115 -498 A2" 613  
8 A2 3007 41 E' 2966  
9 A2 1478 -1488 E' 2966  
10 A2 607 -697 E' 1304  
11 A2 33 -1271 E' 1304  
12 B1 3006 2302 E' 704  
13 B1 1480 776 E' 704  
14 B1 726 592 E' 134  
15 B1 46 -88 E' 134  
16 B2 2990 147 E" 2843  
17 B2 2930 87 E" 2843  
18 B2 1481 47 E" 1434  
19 B2 1306 -128 E" 1434  
20 B2 638 18 E" 620  
21 B2 570 -50 E" 620  
The calculated vibrational frequencies were scaled by 0.9723

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.