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

Compare vibrational frequencies in CCCBDB for CH3NH2 (methyl amine)

HF/SDD

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3426 65 A' 3361  
2 A' 2930 -31 A' 2961  
3 A' 2842 22 A' 2820  
4 A' 1652 29 A' 1623  
5 A' 1487 14 A' 1473  
6 A' 1448 18 A' 1430  
7 A' 1127 -3 A' 1130  
8 A' 1041 -3 A' 1044  
9 A' 587 -193 A' 780  
10 A" 3539 112 A" 3427  
11 A" 2969 -16 A" 2985  
12 A" 1503 18 A" 1485  
13 A" 1295 -40 A" 1335  
14 A" 928   A"   1195 assignment questionable
15 A" 248 -20 A" 268  
The calculated vibrational frequencies were scaled by 0.9004

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.