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

Compare vibrational frequencies in CCCBDB for ZnCH2 (Zinc methylene)


Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 2948 -10 A1 2959  
2 A1 1386 45 A1 1342  
3 A1 771 257 A1 514  
4 B1 237 -288 B1 525  
5 B2 3073 26 B2 3047  
6 B2 800 256 B2 544  
The calculated vibrational frequencies were scaled by 0.8789

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.