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Compare vibrational frequencies in CCCBDB for CH2CCl2 (Ethene, 1,1-dichloro-)

BLYP/3-21G

18 11 26 13 55
Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency Scaled
Frequency
Harm.
diff
Fund.
diff
Symmetry Harmonic
Frequency
Fundamental
Frequency
Comment
1 A1 3108 3091   56 A1   3035  
2 A1 1635 1626   -1 A1   1627  
3 A1 1424 1416   16 A1   1400  
4 A1 509 506   -97 A1   603  
5 A1 253 252   -47 A1   299  
6 A2 677 673   -13 A2   686  
7 B1 898 893   18 B1   875  
8 B1 413 411   -49 B1   460  
9 B2 3195 3177   47 B2   3130  
10 B2 1082 1077   -18 B2   1095  
11 B2 659 656   -144 B2   800  
12 B2 353 351   -21 B2   372  
The calculated vibrational frequencies were scaled by 0.9945

See section Calculated; Vibrations; Scale Factors; Set scaling factors to change the scale factors used here.
See section Calculated; Vibrations; Scale Factors; Calculate a scale factor to determine the least squares best scaling factor.
See section Calculated; Vibrations; Scale Factors; Scale factor uncertainty for information on where the above scaling factor is from.