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Compare vibrational frequencies in CCCBDB for CHONH2 (formamide)

QCISD/6-31+G**

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' 3823 3614   51 A'   3564  
2 A' 3677 3476   37 A'   3439  
3 A' 3074 2907   53 A'   2854  
4 A' 1807 1708   -46 A'   1754  
5 A' 1665 1575   -2 A'   1577  
6 A' 1448 1369   -21 A'   1390  
7 A' 1296 1226   -33 A'   1258  
8 A' 1075 1016   -29 A'   1046  
9 A' 570 539   -42 A'   581  
10 A" 1051 993   -28 A"   1021  
11 A" 623 589   -14 A"   603  
12 A" 178i 168i   -457 A"   289  
The calculated vibrational frequencies were scaled by 0.9454

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.