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

Compare vibrational frequencies in CCCBDB for CH3CN (Acetonitrile)

MP2/6-31G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 2945 -9 A1 2954  
2 A1 2029 -238 A1 2267  
3 A1 1433 48 A1 1385  
4 A1 870 -50 A1 920  
5 E 3028 19 E 3009  
6 E 1485 37 E 1448  
7 E 1068 27 E 1041  
8 E 282 -80 E 362  
The calculated vibrational frequencies were scaled by 0.9568

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.