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Compare vibrational frequencies in CCCBDB for CHONH2 (formamide)

CCSD=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' 3786 3587   24 A'   3564  
2 A' 3645 3454   15 A'   3439  
3 A' 3029 2870   17 A'   2854  
4 A' 1835 1738   -16 A'   1754  
5 A' 1650 1563   -14 A'   1577  
6 A' 1466 1389   -1 A'   1390  
7 A' 1287 1219   -39 A'   1258  
8 A' 1072 1016   -30 A'   1046  
9 A' 580 549   -32 A'   581  
10 A" 1051 996   -25 A"   1021  
11 A" 614 581   -21 A"   603  
12 A" 328i 311i   -600 A"   289  
The calculated vibrational frequencies were scaled by 0.9475

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.