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

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

BLYP/3-21G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 Ag 3193 120 Ag 3073  
2 Ag 1597 19 Ag 1578  
3 Ag 1249 -25 Ag 1274  
4 Ag 724 -122 Ag 846  
5 Ag 306 -44 Ag 350  
6 Au 890 -10 Au 900  
7 Au 192 -35 Au 227  
8 Bg 748 -15 Bg 763  
9 Bu 3188 98 Bu 3090  
10 Bu 1168 -32 Bu 1200  
11 Bu 677 -151 Bu 828  
12 Bu 212 -38 Bu 250  
The calculated vibrational frequencies were scaled by 0.9945

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.