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

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

MP2/CEP-121G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 2961 8 A1 2953  
2 A1 2805 31 A1 2775  
3 A1 1482 23 A1 1459  
4 A1 1465 21 A1 1444  
5 A1 1177 -9 A1 1186  
6 A1 765 -63 A1 828  
7 A1 335 -31 A1 367  
8 A2 3015 38 A2 2977  
9 A2 1480 27 A2 1453  
10 A2 1037 -9 A2 1046  
11 A2 208 -47 A2 255  
12 E 3022 41 E 2981  
13 E 2957 4 E 2953  
14 E 2793 17 E 2776  
15 E 1497 26 E 1471  
16 E 1463 19 E 1444  
17 E 1436 27 E 1409  
18 E 1275 -0 E 1275  
19 E 1090 -14 E 1103  
20 E 1022 -22 E 1043  
21 E 399 -25 E 424  
22 E 243 -38 E 281  
The calculated vibrational frequencies were scaled by 0.976

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.