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Compare vibrational frequencies in CCCBDB for CH3CH2NH2 (Ethylamine)

LSDA/6-31G

18 11 26 13 55
Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency Scaled
Frequency
Harm.
diff
Fund.
diff
Symmetry Harmonic
Frequency
Fundamental
Frequency
Comment
1       -3345 A'   3345  
2       -2985 A'   2985  
3       -2840 A'   2840  
4       -2860 A'   2860  
5       -1622 A'   1622  
6       -1487 A'   1487  
7       -1465 A'   1465  
8       -1378 A'   1378  
9       -1397 A'   1397  
10       -1016 A'   1016  
11       -1086 A'   1086  
12       -892 A'   892  
13       -773 A'   773  
14       -403 A'   403  
15       -3412 A"   3412  
16       -2924 A"   2924  
17       -2906 A"   2906  
18       -1455 A"   1455  
19       -1238 A"   1238  
20       -1293 A"   1293  
21       -1117 A"   1117  
22       -816 A"   816  
23       -259 A"   259  
24       -218 A"   218  
The calculated vibrational frequencies were scaled by 0.9797

See section Calculated; Vibrations; Scale Factors; Set scaling factors to change the scale factors used here.
See section Calculated; Vibrations; Scale Factors; Calculate a scale factor to determine the least squares best scaling factor.
See section Calculated; Vibrations; Scale Factors; Scale factor uncertainty for information on where the above scaling factor is from.