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

Compare vibrational frequencies in CCCBDB for CH3NHCH3 (Dimethylamine)

HF/CEP-121G*

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3392 57 A' 3335  
2 A' 2947 35 A' 2912  
3 A' 2910 55 A' 2855  
4 A' 2821 19 A' 2802  
5 A' 1488 -8 A' 1496  
6 A' 1476 -20 A' 1496  
7 A' 1449 45 A' 1404  
8 A' 1245 -0 A' 1245  
9 A' 1174 19 A' 1155  
10 A' 902 -28 A' 930  
11 A' 784        
12 A' 373 -10 A' 383  
13 A' 260 30 A' 230  
14 A" 2945 -22 A" 2967  
15 A" 2906 -61 A" 2967  
16 A" 2812 10 A" 2802  
17 A" 1494 28 A" 1466  
18 A" 1465 -1 A" 1466  
19 A" 1460 56 A" 1404  
20 A" 1418   A"   1155 questionable assignment?
21 A" 1139 60 A" 1079  
22 A" 1069 45 A" 1024  
23 A" 1008   A"   724 questionable assignment?
24 A" 213 -44 A" 257  
The calculated vibrational frequencies were scaled by 0.9034

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.