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

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

MP2/LANL2DZ

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 2969 16 A1 2953  
2 A1 2826 51 A1 2775  
3 A1 1481 22 A1 1459  
4 A1 1451 7 A1 1444  
5 A1 1174 -12 A1 1186  
6 A1 752 -76 A1 828  
7 A1 327 -40 A1 367  
8 A2 3021 44 A2 2977  
9 A2 1476 24 A2 1453  
10 A2 1029 -18 A2 1046  
11 A2 209 -45 A2 255  
12 E 3027 46 E 2981  
13 E 2965 12 E 2953  
14 E 2817 41 E 2776  
15 E 1490 19 E 1471  
16 E 1466 22 E 1444  
17 E 1421 12 E 1409  
18 E 1260 -15 E 1275  
19 E 1092 -12 E 1103  
20 E 1011 -32 E 1043  
21 E 398 -25 E 424  
22 E 237 -44 E 281  
The calculated vibrational frequencies were scaled by 0.9631

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.