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Compare vibrational frequencies in CCCBDB for CHONH2 (formamide)

MP2/6-31G(2df,p)

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' 3817 3605   42 A'   3564  
2 A' 3664 3461   22 A'   3439  
3 A' 3027 2859   6 A'   2854  
4 A' 1838 1736   -18 A'   1754  
5 A' 1622 1532   -45 A'   1577  
6 A' 1446 1366   -24 A'   1390  
7 A' 1290 1219   -39 A'   1258  
8 A' 1058 999   -46 A'   1046  
9 A' 561 530   -51 A'   581  
10 A" 1071 1012   -9 A"   1021  
11 A" 653 617   14 A"   603  
12 A" 29i 28i   -316 A"   289  
The calculated vibrational frequencies were scaled by 0.9445

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.