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Compare vibrational frequencies in CCCBDB for H2POH (Phosphinous acid)

MP2=FULL/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' 3881 3685           
2 A' 2417 2295           
3 A' 1173 1113           
4 A' 1117 1061           
5 A' 927 880           
6 A' 825 783           
7 A" 2422 2300           
8 A" 942 894           
9 A" 421 400           
The calculated vibrational frequencies were scaled by 0.9494

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.