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

Compare vibrational frequencies in CCCBDB for CHClCHCl (Ethene, 1,2-dichloro-, (E)-)

MP2/3-21G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 Ag 3159 86 Ag 3073  
2 Ag 1577 -1 Ag 1578  
3 Ag 1263 -11 Ag 1274  
4 Ag 731 -115 Ag 846  
5 Ag 307 -43 Ag 350  
6 Au 928 28 Au 900  
7 Au 195 -32 Au 227  
8 Bg 783 20 Bg 763  
9 Bu 3154 64 Bu 3090  
10 Bu 1193 -7 Bu 1200  
11 Bu 687 -141 Bu 828  
12 Bu 214 -36 Bu 250  
The calculated vibrational frequencies were scaled by 0.9545

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.