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Compare vibrational frequencies in CCCBDB for BH3CO (Borane carbonyl)

HF/6-311G**

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 2543 2310   -70 A1   2380 BH3 s-str
2 A1 2476 2250   85 A1   2165 CO str
3 A1 1211 1100   27 A1   1073 BH3 s-deform
4 A1 551 501   -190 A1   691 B-C str
5 E 2605 2367   -77 E   2444 BH3 d-str
6 E 1238 1125   19 E   1106 BH3 d-deform
7 E 934 849   40 E   809 BH3 rock
8 E 329 299   -14 E   313 BCO bend
The calculated vibrational frequencies were scaled by 0.9085

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.