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Compare vibrational frequencies in CCCBDB for CHONH2 (formamide)

B1B95/cc-pV(T+d)Z

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' 3766 3605   42 A'   3564  
2 A' 3622 3467   28 A'   3439  
3 A' 2961 2834   -19 A'   2854  
4 A' 1841 1762   8 A'   1754  
5 A' 1618 1549   -28 A'   1577  
6 A' 1426 1365   -26 A'   1390  
7 A' 1285 1230   -28 A'   1258  
8 A' 1060 1015   -31 A'   1046  
9 A' 565 541   -40 A'   581  
10 A" 1053 1008   -13 A"   1021  
11 A" 650 622   19 A"   603  
12 A" 217 208   -81 A"   289  
The calculated vibrational frequencies were scaled by 0.9573

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.