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Compare vibrational frequencies in CCCBDB for CHONH2 (formamide)

HF/aug-cc-pVTZ

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' 3957 3603   39 A'   3564  
2 A' 3816 3474   35 A'   3439  
3 A' 3151 2869   15 A'   2854  
4 A' 1948 1774   19 A'   1754  
5 A' 1766 1607   31 A'   1577  
6 A' 1543 1405   15 A'   1390  
7 A' 1360 1238   -20 A'   1258  
8 A' 1147 1044   -1 A'   1046  
9 A' 619 564   -17 A'   581  
10 A" 1177 1072   50 A"   1021  
11 A" 663 604   1 A"   603  
12 A" 203 185   -104 A"   289  
The calculated vibrational frequencies were scaled by 0.9104

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.