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Compare vibrational frequencies in CCCBDB for H2COO (Dioxymethyl radical)

HF/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' 3358 3056           
2 A' 3232 2942           
3 A' 1913 1741   306 A'   1435  
4 A' 1583 1440   154 A'   1286  
5 A' 1349 1228   -13 A'   1241  
6 A' 577 525   -383 A'   908  
7 A' 470 427           
8 A" 1309 1191   343 A"   848  
9 A" 651 593           
The calculated vibrational frequencies were scaled by 0.9101

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.