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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' 2889 -11 A1' 2900  
2 A1' 1306 149 A1' 1157  
3 A1' 507 4 A1' 503  
4 A1" 30   A1"   torsion
5 A2" 2887 -28 A2" 2915  
6 A2" 1295 112 A2" 1183  
7 A2" 553 -60 A2" 613  
8 E' 2944 -22 E' 2966  
9 E' 1458 154 E' 1304  
10 E' 736 32 E' 704  
11 E' 95i -229 E' 134  
12 E" 2944 101 E" 2843  
13 E" 1457 23 E" 1434  
14 E" 623 3 E" 620  
The calculated vibrational frequencies were scaled by 0.9611

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.