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Compare vibrational frequencies in CCCBDB for CHONH2 (formamide)

CID/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' 3826 3578   14 A'   3564  
2 A' 3688 3449   10 A'   3439  
3 A' 3104 2903   50 A'   2854  
4 A' 1792 1676   -78 A'   1754  
5 A' 1736 1624   47 A'   1577  
6 A' 1477 1381   -9 A'   1390  
7 A' 1329 1243   -15 A'   1258  
8 A' 1115 1043   -3 A'   1046  
9 A' 583 545   -36 A'   581  
10 A" 1071 1001   -20 A"   1021  
11 A" 652 610   7 A"   603  
12 A" 492 460   171 A"   289  
The calculated vibrational frequencies were scaled by 0.9352

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.