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

Compare vibrational frequencies in CCCBDB for CH3NH2 (methyl amine)

MP2/CEP-31G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3427 66 A' 3361  
2 A' 3001 40 A' 2961  
3 A' 2890 70 A' 2820  
4 A' 1656 33 A' 1623  
5 A' 1471 -2 A' 1473  
6 A' 1435 5 A' 1430  
7 A' 1122 -8 A' 1130  
8 A' 1023 -21 A' 1044  
9 A' 680 -100 A' 780  
10 A" 3552 125 A" 3427  
11 A" 3051 66 A" 2985  
12 A" 1493 8 A" 1485  
13 A" 1302 -33 A" 1335  
14 A" 927   A"   1195 assignment questionable
15 A" 293 25 A" 268  
The calculated vibrational frequencies were scaled by 0.9663

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.