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Compare vibrational frequencies in CCCBDB for CHONH2 (formamide)

mPW1PW91/6-311G**

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' 3771 3608   44 A'   3564  
2 A' 3629 3472   33 A'   3439  
3 A' 2959 2831   -23 A'   2854  
4 A' 1853 1773   18 A'   1754  
5 A' 1629 1558   -18 A'   1577  
6 A' 1431 1369   -22 A'   1390  
7 A' 1287 1231   -27 A'   1258  
8 A' 1066 1020   -26 A'   1046  
9 A' 569 545   -36 A'   581  
10 A" 1059 1013   -8 A"   1021  
11 A" 657 628   26 A"   603  
12 A" 235 225   -64 A"   289  
The calculated vibrational frequencies were scaled by 0.9567

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.