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Compare vibrational frequencies in CCCBDB for CH2Cl2 (Methylene chloride)

mPW1PW91/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 285 273   -2726 A1   2999  
2 A1 730 699   -768 A1   1467  
3 A1 1465 1403   686 A1   717  
4 A1 3135 3003   2721 A1   282  
5 A2 1183 1133   -20 A2   1153  
6 B1 907 869   -2171 B1   3040  
7 B1 3211 3076   2178 B1   898  
8 B2 767 734   -534 B2   1268  
9 B2 1293 1238   480 B2   758  
The calculated vibrational frequencies were scaled by 0.9579

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.