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Compare vibrational frequencies in CCCBDB for CHONH2 (formamide)

QCISD/6-31G**

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' 3841 3616   53 A'   3564  
2 A' 3696 3479   40 A'   3439  
3 A' 3055 2876   23 A'   2854  
4 A' 1849 1740   -14 A'   1754  
5 A' 1667 1570   -7 A'   1577  
6 A' 1463 1377   -13 A'   1390  
7 A' 1304 1228   -30 A'   1258  
8 A' 1077 1014   -32 A'   1046  
9 A' 569 535   -46 A'   581  
10 A" 1066 1004   -17 A"   1021  
11 A" 642 605   2 A"   603  
12 A" 148i 139i   -428 A"   289  
The calculated vibrational frequencies were scaled by 0.9414

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.