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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 789 -176 A1 965  
3 A1 481 -103 A1 584  
4 B1 631 -143 B1 774  
5 B2 1017 -232 B2 1249  
6 B2 521 -105 B2 626  
The calculated vibrational frequencies were scaled by 0.976

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.