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Compare vibrational frequencies in CCCBDB for CHONH2 (formamide)

HF/STO-3G

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' 4288 3502   -62 A'   3564  
2 A' 4064 3319   -121 A'   3439  
3 A' 3553 2901   47 A'   2854  
4 A' 2114 1726   -28 A'   1754  
5 A' 1874 1530   -47 A'   1577  
6 A' 1610 1315   -75 A'   1390  
7 A' 1374 1122   -136 A'   1258  
8 A' 1171 956   -90 A'   1046  
9 A' 590 482   -99 A'   581  
10 A" 1103 900   -121 A"   1021  
11 A" 535 437   -166 A"   603  
12 A" 542i 442i   -731 A"   289  
The calculated vibrational frequencies were scaled by 0.8165

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.