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Compare vibrational frequencies in CCCBDB for CHONH2 (formamide)

PBEPBE/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' 3657 3607   44 A'   3564  
2 A' 3510 3462   22 A'   3439  
3 A' 2854 2815   -38 A'   2854  
4 A' 1791 1766   12 A'   1754  
5 A' 1566 1545   -32 A'   1577  
6 A' 1382 1364   -27 A'   1390  
7 A' 1243 1226   -32 A'   1258  
8 A' 1018 1004   -42 A'   1046  
9 A' 541 534   -47 A'   581  
10 A" 999 985   -36 A"   1021  
11 A" 646 637   34 A"   603  
12 A" 153 151   -138 A"   289  
The calculated vibrational frequencies were scaled by 0.9863

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.