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

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

LSDA/6-31G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 2954 1 A1 2953  
2 A1 2779 4 A1 2775  
3 A1 1449 -10 A1 1459  
4 A1 1420 -24 A1 1444  
5 A1 1152 -34 A1 1186  
6 A1 838 9 A1 828  
7 A1 297 -70 A1 367  
8 A2 3013 36 A2 2977  
9 A2 1434 -19 A2 1453  
10 A2 1031 -15 A2 1046  
11 A2 270 15 A2 255  
12 E 3015 35 E 2981  
13 E 2954 1 E 2953  
14 E 2757 -18 E 2776  
15 E 1460 -11 E 1471  
16 E 1423 -20 E 1444  
17 E 1390 -19 E 1409  
18 E 1289 14 E 1275  
19 E 1087 -16 E 1103  
20 E 1055 12 E 1043  
21 E 409 -14 E 424  
22 E 254 -27 E 281  
The calculated vibrational frequencies were scaled by 0.9797

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.