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Compare vibrational frequencies in CCCBDB for CH2Cl2 (Methylene chloride)

M06-2X/STO-3G

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 3405 3405   406 A1   2999  
2 A1 1584 1584   117 A1   1467  
3 A1 798 798   81 A1   717  
4 A1 282 282   0 A1   282  
5 A2 1237 1237   84 A2   1153  
6 B1 3537 3537   497 B1   3040  
7 B1 928 928   30 B1   898  
8 B2 1372 1372   104 B2   1268  
9 B2 913 913   155 B2   758  
The calculated vibrational frequencies were scaled by 1

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.