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Compare vibrational frequencies in CCCBDB for CHONH2 (formamide)

MP4/6-311G**

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' 3765 3651   87 A'   3564  
2 A' 3622 3512   72 A'   3439  
3 A' 2954 2864   11 A'   2854  
4 A' 1790 1736   -18 A'   1754  
5 A' 1621 1572   -5 A'   1577  
6 A' 1419 1376   -15 A'   1390  
7 A' 1268 1229   -29 A'   1258  
8 A' 1043 1011   -34 A'   1046  
9 A' 556 540   -41 A'   581  
10 A" 1039 1008   -13 A"   1021  
11 A" 638 618   16 A"   603  
12 A" 309i 299i   -588 A"   289  
The calculated vibrational frequencies were scaled by 0.9697

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.