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Compare vibrational frequencies in CCCBDB for CHONH2 (formamide)

CCSD(T)/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' 3733 3591   28 A'   3564  
2 A' 3597 3461   21 A'   3439  
3 A' 2997 2883   30 A'   2854  
4 A' 1830 1761   7 A'   1754  
5 A' 1645 1583   6 A'   1577  
6 A' 1443 1388   -2 A'   1390  
7 A' 1297 1248   -10 A'   1258  
8 A' 1068 1028   -18 A'   1046  
9 A' 563 542   -39 A'   581  
10 A" 1042 1003   -19 A"   1021  
11 A" 643 619   16 A"   603  
12 A" 209i 201i   -490 A"   289  
The calculated vibrational frequencies were scaled by 0.9621

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.