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

Compare vibrational frequencies in CCCBDB for N(CH3)3 (Trimethylamine)

PM3

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1   -2953 A1 2953  
2   -2775 A1 2775  
3   -1459 A1 1459  
4   -1444 A1 1444  
5   -1186 A1 1186  
6   -828 A1 828  
7   -367 A1 367  
8   -2977 A2 2977  
9   -1453 A2 1453  
10   -1046 A2 1046  
11   -255 A2 255  
12   -2981 E 2981  
13   -2953 E 2953  
14   -2776 E 2776  
15   -1471 E 1471  
16   -1444 E 1444  
17   -1409 E 1409  
18   -1275 E 1275  
19   -1103 E 1103  
20   -1043 E 1043  
21   -424 E 424  
22   -281 E 281  
The calculated vibrational frequencies were scaled by 0.974

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.