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Compare vibrational frequencies in CCCBDB for CHONH2 (formamide)

B3LYP/3-21G

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' 3647 3519   -45 A'   3564  
2 A' 3515 3391   -48 A'   3439  
3 A' 2944 2841   -13 A'   2854  
4 A' 1766 1704   -50 A'   1754  
5 A' 1669 1611   34 A'   1577  
6 A' 1448 1397   7 A'   1390  
7 A' 1271 1227   -31 A'   1258  
8 A' 1067 1029   -16 A'   1046  
9 A' 568 548   -33 A'   581  
10 A" 1084 1046   24 A"   1021  
11 A" 676 652   50 A"   603  
12 A" 498 480   192 A"   289  
The calculated vibrational frequencies were scaled by 0.9649

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.