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

mPW1PW91/STO-3G

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 3352 2946           
2 A1 2219 1950   -22 A1   1972  
3 A1 1538 1352   47 A1   1305  
4 A1 881 774           
5 E 3515 3089           
6 E 1675 1472           
7 E 1044 918   21 E   897  
8 E 372 327           
The calculated vibrational frequencies were scaled by 0.8789

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.