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Compare vibrational frequencies in CCCBDB for CHONH2 (formamide)

B3PW91/6-31G*

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' 3744 3582   19 A'   3564  
2 A' 3610 3453   14 A'   3439  
3 A' 2971 2843   -11 A'   2854  
4 A' 1856 1775   21 A'   1754  
5 A' 1642 1571   -6 A'   1577  
6 A' 1437 1374   -16 A'   1390  
7 A' 1291 1235   -23 A'   1258  
8 A' 1065 1019   -27 A'   1046  
9 A' 564 540   -41 A'   581  
10 A" 1046 1001   -20 A"   1021  
11 A" 655 627   24 A"   603  
12 A" 151 144   -144 A"   289  
The calculated vibrational frequencies were scaled by 0.9567

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.