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

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

HF/CEP-121G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 2924 -29 A1 2953  
2 A1 2803 28 A1 2775  
3 A1 1499 40 A1 1459  
4 A1 1473 29 A1 1444  
5 A1 1194 8 A1 1186  
6 A1 788 -40 A1 828  
7 A1 320 -47 A1 367  
8 A2 2960 -16 A2 2977  
9 A2 1489 37 A2 1453  
10 A2 1057 11 A2 1046  
11 A2 213 -41 A2 255  
12 E 2970 -11 E 2981  
13 E 2915 -38 E 2953  
14 E 2787 11 E 2776  
15 E 1506 35 E 1471  
16 E 1481 38 E 1444  
17 E 1439 30 E 1409  
18 E 1307 32 E 1275  
19 E 1108 4 E 1103  
20 E 1042 -1 E 1043  
21 E 404 -20 E 424  
22 E 230 -51 E 281  
The calculated vibrational frequencies were scaled by 0.9125

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.