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Compare vibrational frequencies in CCCBDB for CHONH2 (formamide)

MP2/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' 3790 3610   47 A'   3564  
2 A' 3630 3458   18 A'   3439  
3 A' 3001 2859   5 A'   2854  
4 A' 1844 1756   2 A'   1754  
5 A' 1605 1528   -48 A'   1577  
6 A' 1431 1363   -27 A'   1390  
7 A' 1289 1228   -30 A'   1258  
8 A' 1054 1004   -42 A'   1046  
9 A' 564 538   -43 A'   581  
10 A" 1056 1006   -15 A"   1021  
11 A" 650 619   16 A"   603  
12 A" 231i 220i   -509 A"   289  
The calculated vibrational frequencies were scaled by 0.9525

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.