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Compare vibrational frequencies in CCCBDB for C2H5CN (ethyl cyanide)

B3LYP/6-31G(2df,p)

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' 3132 3022   21 A'   3001  
2 A' 3055 2948   -7 A'   2955  
3 A' 3048 2941   41 A'   2900  
4 A' 2363 2280   26 A'   2254  
5 A' 1504 1452   -13 A'   1465  
6 A' 1471 1419   -14 A'   1433  
7 A' 1415 1365   -22 A'   1387  
8 A' 1346 1299   -20 A'   1319  
9 A' 1091 1053   -24 A'   1077  
10 A' 1016 981   -24 A'   1005  
11 A' 841 812   -24 A'   836  
12 A' 552 532   -13 A'   545  
13 A' 215 208   -18 A'   226  
14 A" 3136 3026   25 A"   3001  
15 A" 3082 2974   125 A"   2849  
16 A" 1496 1444   -21 A"   1465  
17 A" 1286 1241   -15 A"   1256  
18 A" 1113 1074   52 A"   1022  
19 A" 789 762   -24 A"   786  
20 A" 404 390   12 A"   378  
21 A" 219 211   -11 A"   222  
The calculated vibrational frequencies were scaled by 0.965

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.