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Compare vibrational frequencies in CCCBDB for CHONH2 (formamide)

MP2=FULL/aug-cc-pVTZ

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' 3777 3593   30 A'   3564  
2 A' 3634 3458   18 A'   3439  
3 A' 3033 2886   32 A'   2854  
4 A' 1797 1710   -44 A'   1754  
5 A' 1629 1550   -27 A'   1577  
6 A' 1429 1360   -31 A'   1390  
7 A' 1283 1221   -37 A'   1258  
8 A' 1051 999   -46 A'   1046  
9 A' 563 535   -46 A'   581  
10 A" 1066 1014   -7 A"   1021  
11 A" 641 610   7 A"   603  
12 A" 177 169   -120 A"   289  
The calculated vibrational frequencies were scaled by 0.9514

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.