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Compare vibrational frequencies in CCCBDB for CF2Cl2 (difluorodichloromethane)

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 1033 1026   -75 A1   1101  
2 A1 584 580   -87 A1   667  
3 A1 384 382   -76 A1   458  
4 A1 240 238   -24 A1   262  
5 A2 279 278   -44 A2   322  
6 B1 717 712   -190 B1   902 B1 B2 switched from intensity ref
7 B1 365 362   -75 B1   437 B1 B2 switched from intensity ref
8 B2 1160 1153   -6 B2   1159 B1 B2 switched from intensity ref
9 B2 382 380   -66 B2   446 B1 B2 switched from intensity ref
The calculated vibrational frequencies were scaled by 0.9935

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.