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Compare vibrational frequencies in CCCBDB for BH3CO (Borane carbonyl)

HF/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 2562 2301   -79 A1   2380 BH3 s-str
2 A1 2475 2223   58 A1   2165 CO str
3 A1 1188 1067   -6 A1   1073 BH3 s-deform
4 A1 491 441   -250 A1   691 B-C str
5 E 2647 2377   -67 E   2444 BH3 d-str
6 E 1221 1096   -10 E   1106 BH3 d-deform
7 E 933 838   29 E   809 BH3 rock
8 E 310 278   -35 E   313 BCO bend
The calculated vibrational frequencies were scaled by 0.898

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.