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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 2970 17 A1 2953  
2 A1 2833 58 A1 2775  
3 A1 1465 6 A1 1459  
4 A1 1440 -4 A1 1444  
5 A1 1166 -20 A1 1186  
6 A1 812 -16 A1 828  
7 A1 375 9 A1 367  
8 A2 3019 42 A2 2977  
9 A2 1450 -2 A2 1453  
10 A2 1019 -27 A2 1046  
11 A2 206 -49 A2 255  
12 E 3023 42 E 2981  
13 E 2968 15 E 2953  
14 E 2823 47 E 2776  
15 E 1470 -1 E 1471  
16 E 1442 -1 E 1444  
17 E 1403 -6 E 1409  
18 E 1258 -17 E 1275  
19 E 1073 -30 E 1103  
20 E 1026 -18 E 1043  
21 E 408 -15 E 424  
22 E 273 -8 E 281  
The calculated vibrational frequencies were scaled by 0.9528

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.