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Compare vibrational frequencies in CCCBDB for CH3CH2NH2 (Ethylamine)

BLYP/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 A' 3393 3368   23 A'   3345  
2 A' 3022 2999   14 A'   2985  
3 A' 2963 2940   100 A'   2840  
4 A' 2949 2927   67 A'   2860  
5 A' 1666 1654   32 A'   1622  
6 A' 1508 1497   10 A'   1487  
7 A' 1490 1478   13 A'   1465  
8 A' 1410 1400   22 A'   1378  
9 A' 1372 1362   -35 A'   1397  
10 A' 1123 1115   99 A'   1016  
11 A' 1018 1010   -76 A'   1086  
12 A' 864 857   -35 A'   892  
13 A' 631 627   -146 A'   773  
14 A' 389 386   -17 A'   403  
15 A" 3506 3480   68 A"   3412  
16 A" 3032 3009   85 A"   2924  
17 A" 2996 2973   67 A"   2906  
18 A" 1502 1491   36 A"   1455  
19 A" 1362 1352   114 A"   1238  
20 A" 1256 1246   -47 A"   1293  
21 A" 991 984   -133 A"   1117  
22 A" 775 769   -47 A"   816  
23 A" 285 283   24 A"   259  
24 A" 252 251   33 A"   218  
The calculated vibrational frequencies were scaled by 0.9924

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.