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Compare vibrational frequencies in CCCBDB for CHONH2 (formamide)

MP2=FULL/TZVP

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' 3785 3606   43 A'   3564  
2 A' 3635 3463   24 A'   3439  
3 A' 3032 2888   35 A'   2854  
4 A' 1804 1718   -36 A'   1754  
5 A' 1634 1557   -20 A'   1577  
6 A' 1454 1386   -5 A'   1390  
7 A' 1282 1221   -37 A'   1258  
8 A' 1059 1009   -37 A'   1046  
9 A' 573 546   -35 A'   581  
10 A" 1039 990   -31 A"   1021  
11 A" 623 594   -9 A"   603  
12 A" 308i 293i   -582 A"   289  
The calculated vibrational frequencies were scaled by 0.9527

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.