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

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

QCISD/3-21G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 2964 64 A1' 2900  
2 A1 2908 1751 A1' 1157  
3 A1 1478 975 A1' 503  
4 A1 1310   A1"   torsion
5 A1 744 -2171 A2" 2915  
6 A1 525 -658 A2" 1183  
7 A1 120 -493 A2" 613  
8 A2 2981 15 E' 2966  
9 A2 1469 -1497 E' 2966  
10 A2 601 -703 E' 1304  
11 A2 34 -1270 E' 1304  
12 B1 2981 2277 E' 704  
13 B1 1471 767 E' 704  
14 B1 721 587 E' 134  
15 B1 47 -87 E' 134  
16 B2 2964 121 E" 2843  
17 B2 2906 63 E" 2843  
18 B2 1472 38 E" 1434  
19 B2 1296 -138 E" 1434  
20 B2 633 13 E" 620  
21 B2 569 -51 E" 620  
The calculated vibrational frequencies were scaled by 0.9692

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.