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

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

mPW1PW91/3-21G*

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1' 2906 6 A1' 2900  
2 A1' 1286 129 A1' 1157  
3 A1' 550 47 A1' 503  
4 A1" 41   A1"   torsion
5 A2" 2904 -11 A2" 2915  
6 A2" 1277 94 A2" 1183  
7 A2" 594 -19 A2" 613  
8 E' 2968 2 E' 2966  
9 E' 1436 132 E' 1304  
10 E' 756 52 E' 704  
11 E' 100i -234 E' 134  
12 E" 2968 125 E" 2843  
13 E" 1433 -1 E" 1434  
14 E" 645 25 E" 620  
The calculated vibrational frequencies were scaled by 0.9496

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.