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Compare vibrational frequencies in CCCBDB for CHONH2 (formamide)

PBEPBE/STO-3G

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' 3818 3488   -75 A'   3564  
2 A' 3583 3274   -165 A'   3439  
3 A' 3074 2808   -45 A'   2854  
4 A' 1851 1691   -63 A'   1754  
5 A' 1658 1515   -62 A'   1577  
6 A' 1435 1311   -79 A'   1390  
7 A' 1221 1115   -143 A'   1258  
8 A' 1008 921   -124 A'   1046  
9 A' 513 468   -113 A'   581  
10 A" 946 864   -157 A"   1021  
11 A" 585 535   -68 A"   603  
12 A" 353i 323i   -611 A"   289  
The calculated vibrational frequencies were scaled by 0.9136

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.