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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 1713 -215 A1 1928  
2 A1 864 -101 A1 965  
3 A1 442 -142 A1 584  
4 B1 561 -213 B1 774  
5 B2 1213 -36 B2 1249  
6 B2 478 -148 B2 626  
The calculated vibrational frequencies were scaled by 0.885

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.