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Compare vibrational frequencies in CCCBDB for CHONH2 (formamide)

MP2/6-31G*

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' 3778 3562   -1 A'   3564  
2 A' 3636 3428   -11 A'   3439  
3 A' 3050 2876   22 A'   2854  
4 A' 1838 1733   -21 A'   1754  
5 A' 1653 1559   -18 A'   1577  
6 A' 1455 1372   -18 A'   1390  
7 A' 1309 1234   -24 A'   1258  
8 A' 1072 1011   -34 A'   1046  
9 A' 566 534   -47 A'   581  
10 A" 1055 995   -26 A"   1021  
11 A" 653 615   13 A"   603  
12 A" 137i 129i   -418 A"   289  
The calculated vibrational frequencies were scaled by 0.943

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.