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Compare vibrational frequencies in CCCBDB for NH2OH (hydroxylamine)

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' 3546 3240   -410 A'   3650  
2 A' 3200 2923   -371 A'   3294  
3 A' 1785 1631   26 A'   1605  
4 A' 1503 1373   20 A'   1353  
5 A' 1226 1120   5 A'   1115  
6 A' 1049 958   63 A'   895  
7 A" 3381 3089   -270 A"   3359  
8 A" 1322 1208   -87 A"   1295  
9 A" 174 159   -227 A"   386  
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.