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Compare vibrational frequencies in CCCBDB for H3PO (Phosphine oxide)

B3LYP/CEP-31G

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 A1 2209 2139   -220 A1   2359  
2 A1 1126 1091   -150 A1   1240  
3 A1 874 847   -297 A1   1144  
4 E 2217 2147   -225 E   2372  
5 E 1070 1036   -78 E   1114  
6 E 699 677   -176 E   853  
The calculated vibrational frequencies were scaled by 0.9684

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.