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Compare vibrational frequencies in CCCBDB for CH3CH2NH2 (Ethylamine)

B1B95/6-31G

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' 3581 3415   70 A'   3345  
2 A' 3137 2992   7 A'   2985  
3 A' 3065 2923   83 A'   2840  
4 A' 3050 2908   48 A'   2860  
5 A' 1712 1633   11 A'   1622  
6 A' 1544 1472   -15 A'   1487  
7 A' 1528 1457   -8 A'   1465  
8 A' 1446 1379   1 A'   1378  
9 A' 1412 1346   -51 A'   1397  
10 A' 1175 1121   105 A'   1016  
11 A' 1092 1041   -45 A'   1086  
12 A' 911 869   -23 A'   892  
13 A' 587 560   -213 A'   773  
14 A' 397 379   -24 A'   403  
15 A" 3703 3532   120 A"   3412  
16 A" 3144 2998   74 A"   2924  
17 A" 3106 2962   56 A"   2906  
18 A" 1536 1465   10 A"   1455  
19 A" 1395 1331   93 A"   1238  
20 A" 1287 1227   -66 A"   1293  
21 A" 1009 963   -154 A"   1117  
22 A" 791 754   -62 A"   816  
23 A" 273 261   2 A"   259  
24 A" 248 237   19 A"   218  
The calculated vibrational frequencies were scaled by 0.9537

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.