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Compare vibrational frequencies in CCCBDB for CHONH2 (formamide)

QCISD(T)/cc-pVDZ

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' 3757 3580   17 A'   3564  
2 A' 3603 3434   -5 A'   3439  
3 A' 2960 2821   -33 A'   2854  
4 A' 1829 1743   -11 A'   1754  
5 A' 1601 1526   -51 A'   1577  
6 A' 1419 1352   -38 A'   1390  
7 A' 1276 1216   -42 A'   1258  
8 A' 1047 998   -47 A'   1046  
9 A' 560 533   -48 A'   581  
10 A" 1044 995   -26 A"   1021  
11 A" 639 609   6 A"   603  
12 A" 288i 274i   -563 A"   289  
The calculated vibrational frequencies were scaled by 0.9531

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.