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

Compare vibrational frequencies in CCCBDB for H2CO (Formaldehyde)


Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1   -2782 A1 2782  
2   -1746 A1 1746  
3   -1500 A1 1500  
4   -1167 B1 1167  
5   -2843 B2 2843  
6   -1249 B2 1249  
The calculated vibrational frequencies were scaled by 0.974

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.