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Compare vibrational frequencies in CCCBDB for CHONH2 (formamide)

B1B95/6-31G**

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' 3769 3598   35 A'   3564  
2 A' 3632 3468   29 A'   3439  
3 A' 2995 2860   6 A'   2854  
4 A' 1877 1792   38 A'   1754  
5 A' 1647 1573   -4 A'   1577  
6 A' 1443 1378   -12 A'   1390  
7 A' 1300 1241   -17 A'   1258  
8 A' 1070 1022   -24 A'   1046  
9 A' 565 539   -42 A'   581  
10 A" 1054 1006   -15 A"   1021  
11 A" 656 626   23 A"   603  
12 A" 142 136   -153 A"   289  
The calculated vibrational frequencies were scaled by 0.9548

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.