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

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

MP2/SDD

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 2975 22 A1 2953  
2 A1 2831 56 A1 2775  
3 A1 1484 25 A1 1459  
4 A1 1454 10 A1 1444  
5 A1 1177 -9 A1 1186  
6 A1 753 -75 A1 828  
7 A1 329 -38 A1 367  
8 A2 3027 50 A2 2977  
9 A2 1480 27 A2 1453  
10 A2 1030 -16 A2 1046  
11 A2 210 -45 A2 255  
12 E 3033 52 E 2981  
13 E 2971 18 E 2953  
14 E 2822 47 E 2776  
15 E 1494 23 E 1471  
16 E 1469 25 E 1444  
17 E 1424 15 E 1409  
18 E 1262 -13 E 1275  
19 E 1094 -10 E 1103  
20 E 1013 -31 E 1043  
21 E 399 -25 E 424  
22 E 238 -43 E 281  
The calculated vibrational frequencies were scaled by 0.9653

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.