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Compare vibrational frequencies in CCCBDB for CH2Cl2 (Methylene chloride)

LSDA/cc-pV(T+d)Z

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 279 277   -2722 A1   2999  
2 A1 727 720   -747 A1   1467  
3 A1 1385 1371   654 A1   717  
4 A1 3028 2997   2715 A1   282  
5 A2 1123 1112   -41 A2   1153  
6 B1 869 860   -2180 B1   3040  
7 B1 3100 3069   2171 B1   898  
8 B2 754 746   -522 B2   1268  
9 B2 1220 1208   450 B2   758  
The calculated vibrational frequencies were scaled by 0.9899

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.