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

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

DREIDING

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1   -3077 A1 3077  
2   -1587 A1 1587  
3   -1179 A1 1179  
4   -711 A1 711  
5   -173 A1 173  
6   -876 A2 876  
7   -406 A2 406  
8   -697 B1 697  
9   -3072 B2 3072  
10   -1303 B2 1303  
11   -857 B2 857  
12   -571 B2 571  
The calculated vibrational frequencies were scaled by 0.936

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.