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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 2942 122 A1 2820  
2 A1 1429 -297 A1 1725  
3 A1 1178 -159 A1 1337  
4 B1 866 -88 B1 954  
5 B2 3039 -65 B2 3103  
6 B2 965 53 B2 913  
The calculated vibrational frequencies were scaled by 0.9014

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.