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

Compare vibrational frequencies in CCCBDB for H2CN (H2CN)


Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 2749 -71 A1 2820  
2 A1 1388 -337 A1 1725  
3 A1 1222 -115 A1 1337  
4 B1 877 -77 B1 954  
5 B2 2829 -275 B2 3103  
6 B2 898 -15 B2 913  
The calculated vibrational frequencies were scaled by 0.8607

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.