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Compare vibrational frequencies in CCCBDB for CHONH2 (formamide)

HSEh1PBE/3-21G*

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' 3695 3547   -16 A'   3564  
2 A' 3560 3417   -22 A'   3439  
3 A' 2974 2854   1 A'   2854  
4 A' 1793 1721   -33 A'   1754  
5 A' 1676 1609   32 A'   1577  
6 A' 1453 1395   5 A'   1390  
7 A' 1293 1242   -17 A'   1258  
8 A' 1080 1037   -9 A'   1046  
9 A' 573 550   -31 A'   581  
10 A" 1094 1050   29 A"   1021  
11 A" 691 663   60 A"   603  
12 A" 522 502   213 A"   289  
The calculated vibrational frequencies were scaled by 0.9599

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.