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IV.C.1. (XIII.D.1.)

Compare vibrational frequencies in CCCBDB for CF2O (Carbonic difluoride)


Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 1701 -227 A1 1928  
2 A1 860 -105 A1 965  
3 A1 439 -145 A1 584  
4 B1 556 -218 B1 774  
5 B2 1208 -41 B2 1249  
6 B2 476 -150 B2 626  
The calculated vibrational frequencies were scaled by 0.8924

See section XIII.C.3 List or set vibrational scaling factors to change the scale factors used here.
See section III.B.3.c Calculate a vibrational scaling factor for a set of molecules to determine the least squares best scaling factor.
See section III.B.3.b List of vibrational scaling factors and their uncertainties for information on where the above scaling factor is from.