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

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

B3PW91/6-31G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 2959 6 A1 2953  
2 A1 2814 40 A1 2775  
3 A1 1478 19 A1 1459  
4 A1 1452 8 A1 1444  
5 A1 1164 -22 A1 1186  
6 A1 791 -37 A1 828  
7 A1 295 -72 A1 367  
8 A2 3007 30 A2 2977  
9 A2 1468 15 A2 1453  
10 A2 1044 -2 A2 1046  
11 A2 247 -8 A2 255  
12 E 3012 31 E 2981  
13 E 2956 3 E 2953  
14 E 2797 21 E 2776  
15 E 1488 17 E 1471  
16 E 1457 13 E 1444  
17 E 1418 9 E 1409  
18 E 1277 2 E 1275  
19 E 1094 -9 E 1103  
20 E 1035 -8 E 1043  
21 E 407 -17 E 424  
22 E 238 -43 E 281  
The calculated vibrational frequencies were scaled by 0.9577

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.