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Compare vibrational frequencies in CCCBDB for CCl2O (Phosgene)

PBEPBE/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 1816 1800   -27 A1   1827  
2 A1 470 466   -101 A1   567  
3 A1 264 262   -23 A1   285  
4 B1 520 515   -65 B1   580  
5 B2 671 665   -184 B2   849  
6 B2 369 366   -74 B2   440  
The calculated vibrational frequencies were scaled by 0.9909

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.