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

Compare vibrational frequencies in CCCBDB for CH3CN (Acetonitrile)

MP2/STO-3G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 2944 -10 A1 2954  
2 A1 1860 -407 A1 2267  
3 A1 1387 2 A1 1385  
4 A1 818 -102 A1 920  
5 E 3096 87 E 3009  
6 E 1476 28 E 1448  
7 E 1027 -14 E 1041  
8 E 305 -57 E 362  
The calculated vibrational frequencies were scaled by 0.8719

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.