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Compare vibrational frequencies in CCCBDB for CHONH2 (formamide)

MP2=FULL/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 3560   -4 A'   3564  
2 A' 3636 3426   -14 A'   3439  
3 A' 3048 2872   18 A'   2854  
4 A' 1843 1736   -18 A'   1754  
5 A' 1654 1558   -18 A'   1577  
6 A' 1456 1372   -18 A'   1390  
7 A' 1310 1234   -24 A'   1258  
8 A' 1074 1012   -34 A'   1046  
9 A' 567 534   -47 A'   581  
10 A" 1058 997   -25 A"   1021  
11 A" 655 617   14 A"   603  
12 A" 115i 109i   -397 A"   289  
The calculated vibrational frequencies were scaled by 0.9422

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.