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

Compare vibrational frequencies in CCCBDB for CH2NN (diazomethane)

MP2/SDD

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 3092 19 A1 3073  
2 A1 2207 106 A1 2101  
3 A1 1389 -26 A1 1415  
4 A1 1024 -151 A1 1175  
5 B1 488 -77 B1 565 B1 and B2 switched
6 B1 50 -356 B1 406 B1 and B2 switched
7 B2 3253 103 B2 3150 B1 and B2 switched
8 B2 1097 -13 B2 1110 B1 and B2 switched
9 B2 419 -1 B2 420 B1 and B2 switched
The calculated vibrational frequencies were scaled by 0.9653

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.