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Compare vibrational frequencies in CCCBDB for CHONH2 (formamide)

CCSD/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' 3784 3585   21 A'   3564  
2 A' 3633 3442   3 A'   3439  
3 A' 2997 2839   -14 A'   2854  
4 A' 1866 1768   14 A'   1754  
5 A' 1619 1533   -43 A'   1577  
6 A' 1440 1364   -26 A'   1390  
7 A' 1292 1224   -35 A'   1258  
8 A' 1065 1009   -37 A'   1046  
9 A' 570 540   -41 A'   581  
10 A" 1066 1009   -12 A"   1021  
11 A" 639 605   2 A"   603  
12 A" 275i 260i   -549 A"   289  
The calculated vibrational frequencies were scaled by 0.9473

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.