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Compare vibrational frequencies in CCCBDB for CH3BO (Borane, methyloxo-)

B3LYP/SDD

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 3060 2942           
2 A1 1985 1908   -64 A1   1972  
3 A1 1405 1350   45 A1   1305  
4 A1 831 799           
5 E 3155 3033           
6 E 1491 1433           
7 E 969 931   34 E   897  
8 E 392 377           
The calculated vibrational frequencies were scaled by 0.9613

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.