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

Compare vibrational frequencies in CCCBDB for CH2CHCl (Ethene, chloro-)

BLYP/3-21G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3174 53 A' 3121  
2 A' 3157 71 A' 3086  
3 A' 3072 42 A' 3030  
4 A' 1618 10 A' 1608  
5 A' 1412 44 A' 1368  
6 A' 1260 -19 A' 1279  
7 A' 1019 -11 A' 1030  
8 A' 593 -127 A' 720  
9 A' 369 -26 A' 395  
10 A" 933 -8 A" 941  
11 A" 903 7 A" 896  
12 A" 600 -20 A" 620  
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.