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

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

PBEPBE/3-21G*

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 2887 -13 A1' 2900  
2 A1 2826 1669 A1' 1157  
3 A1 1405 902 A1' 503  
4 A1 1250   A1"   torsion
5 A1 756 -2159 A2" 2915  
6 A1 573 -610 A2" 1183  
7 A1 139 -474 A2" 613  
8 A2 2907 -59 E' 2966  
9 A2 1388 -1578 E' 2966  
10 A2 608 -696 E' 1304  
11 A2 33 -1271 E' 1304  
12 B1 2906 2202 E' 704  
13 B1 1394 690 E' 704  
14 B1 732 598 E' 134  
15 B1 54 -80 E' 134  
16 B2 2887 44 E" 2843  
17 B2 2823 -20 E" 2843  
18 B2 1395 -39 E" 1434  
19 B2 1236 -198 E" 1434  
20 B2 640 20 E" 620  
21 B2 603 -17 E" 620  
The calculated vibrational frequencies were scaled by 0.9535

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.